data_6so9_residue ############################ # Computer software used # ############################ 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 6so9 _Structure_validation_residue.Date_analyzed 2019-11-01 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 ' 520' ' ' ARG . . . . . . . . . . . . . 13.3 mtm-85 . . . . . 0 N--CA 1.453 -0.287 0 CA-C-O 121.005 0.431 . . . . 2.86 110.44 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 521' ' ' VAL . . . . . 0.529 HG12 HD23 ' A' ' 599' ' ' LEU . 94.8 t -116.77 121.01 66.75 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.703 0 CA-C-N 115.913 -0.585 . . . . 1.14 110.038 167.731 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 522' ' ' VAL . . . . . 0.608 ' HB ' ' O ' ' A' ' 561' ' ' LEU . 28.3 t -120.3 121.32 65.37 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.882 0 N-CA-C 107.639 -1.245 . . . . 1.05 107.639 175.457 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 523' ' ' HIS . . . . . . . . . . . . . 45.1 t-80 -105.57 130.44 53.62 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-O 121.176 0.512 . . . . 0.57 110.651 -172.65 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 524' ' ' ILE . . . . . 0.421 HG12 HG12 ' A' ' 590' ' ' ILE . 27.5 mt -111.23 142.43 23.66 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.882 0 N-CA-C 108.223 -1.029 . . . . 1.06 108.223 176.759 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 525' ' ' CYS . . . . . 0.487 ' O ' ' HB2' ' A' ' 526' ' ' ASN . 1.3 p -143.29 166.05 25.79 Favored 'General case' 0 C--N 1.313 -1.004 0 C-N-CA 120.325 -0.55 . . . . 1.75 111.526 -176.748 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 526' ' ' ASN . . . . . 0.487 ' HB2' ' O ' ' A' ' 525' ' ' CYS . 86.5 m-20 87.38 27.32 0.04 OUTLIER 'General case' 0 N--CA 1.467 0.385 0 O-C-N 125.154 1.533 . . . . 0.28 110.042 179.135 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 527' ' ' LEU . . . . . 0.429 ' HA ' ' HD3' ' A' ' 528' ' ' PRO . 80.5 mt -92.22 123.27 63.0 Favored Pre-proline 0 C--N 1.327 -0.412 0 CA-C-N 115.247 -0.888 . . . . 1.04 109.027 177.206 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 528' ' ' PRO . . . . . 0.429 ' HD3' ' HA ' ' A' ' 527' ' ' LEU . 3.2 Cg_exo -74.19 135.25 20.44 Favored 'Trans proline' 0 N--CA 1.46 -0.499 0 C-N-CA 121.829 1.686 . . . . 0.5 111.973 -177.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 529' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -64.34 129.31 39.44 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 109.37 -0.604 . . . . 1.6 109.37 174.619 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 530' ' ' GLY . . . . . . . . . . . . . . . 93.65 4.29 63.89 Favored Glycine 0 N--CA 1.445 -0.763 0 C-N-CA 120.211 -0.995 . . . . 0.52 110.639 -171.888 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 531' ' ' SER . . . . . . . . . . . . . 48.0 m -149.19 7.65 0.7 Allowed 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.23 -0.485 . . . . 1.49 110.223 -179.119 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 532' ' ' CYS . . . . . 0.488 ' HB2' ' HD2' ' A' ' 554' ' ' LYS . 66.8 m -89.27 86.54 6.86 Favored 'General case' 0 CA--C 1.515 -0.375 0 N-CA-C 108.789 -0.819 . . . . 0.25 108.789 177.254 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 533' ' ' THR . . . . . 0.543 ' O ' HG22 ' A' ' 537' ' ' VAL . 72.4 p -98.03 147.45 24.51 Favored 'General case' 0 N--CA 1.442 -0.851 0 C-N-CA 119.999 -0.68 . . . . 1.1 109.787 -178.066 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 534' ' ' GLU . . . . . 0.516 ' HA ' HD11 ' A' ' 552' ' ' LEU . 35.2 mt-10 -68.55 -36.15 78.41 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.55 0.69 . . . . 1.64 110.279 -177.207 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 535' ' ' ASN . . . . . . . . . . . . . 4.7 t-20 -66.0 -46.73 76.92 Favored 'General case' 0 C--O 1.216 -0.68 0 CA-C-N 114.602 -1.181 . . . . 1.86 110.833 -175.376 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 536' ' ' ASP . . . . . 0.427 ' HA ' ' OD1' ' A' ' 539' ' ' ASN . 1.3 m-20 -71.31 -41.79 69.44 Favored 'General case' 0 N--CA 1.474 0.75 0 CA-C-O 121.112 0.482 . . . . 0.61 111.893 -172.137 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 537' ' ' VAL . . . . . 0.543 HG22 ' O ' ' A' ' 533' ' ' THR . 45.8 t -58.97 -46.52 91.49 Favored 'Isoleucine or valine' 0 C--O 1.242 0.686 0 CA-C-O 122.267 1.032 . . . . 1.03 109.335 178.344 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 538' ' ' ILE . . . . . 0.629 HD12 ' CG ' ' A' ' 550' ' ' TYR . 27.6 mt -67.85 -32.37 56.18 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.789 0 CA-C-N 114.914 -1.039 . . . . 1.06 111.398 174.592 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 539' ' ' ASN . . . . . 0.427 ' OD1' ' HA ' ' A' ' 536' ' ' ASP . 11.1 m120 -57.69 -28.21 63.6 Favored 'General case' 0 CA--C 1.513 -0.474 0 N-CA-C 110.427 -0.212 . . . . 0.25 110.427 177.422 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 540' ' ' LEU . . . . . 0.707 ' HB3' ' HH ' ' A' ' 576' ' ' TYR . 83.4 mt -75.79 -42.64 49.51 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 109.613 -0.514 . . . . 1.11 109.613 173.91 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 541' ' ' GLY . . . . . 0.412 ' HA2' ' SD ' ' A' ' 572' ' ' MET . . . -64.44 -52.75 40.7 Favored Glycine 0 CA--C 1.525 0.709 0 N-CA-C 115.714 1.046 . . . . 0.19 115.714 -178.678 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 542' ' ' LEU . . . . . 0.467 HD13 ' CG1' ' A' ' 612' ' ' ILE . 42.5 mt -57.63 -46.15 99.78 Favored Pre-proline 0 C--N 1.32 -0.68 0 N-CA-C 115.056 1.502 . . . . 1.06 115.056 -168.386 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 543' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_exo -60.1 -26.12 81.64 Favored 'Trans proline' 0 C--N 1.347 0.459 0 C-N-CA 122.059 1.84 . . . . 0.25 113.603 -177.592 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 544' ' ' PHE . . . . . 0.507 ' HB2' ' HE1' ' A' ' 572' ' ' MET . 94.0 m-85 -98.6 -14.78 19.74 Favored 'General case' 0 C--N 1.331 -0.221 0 O-C-N 121.848 -0.533 . . . . 0.38 111.145 177.682 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 545' ' ' GLY . . . . . 0.46 ' O ' ' HA ' ' A' ' 542' ' ' LEU . . . 176.27 152.71 9.86 Favored Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.893 -0.67 . . . . 0.44 111.973 179.744 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 546' ' ' LYS . . . . . . . . . . . . . 7.0 ttpm? -66.31 129.34 39.51 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.024 0.44 . . . . 2.62 111.0 -178.113 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 547' ' ' VAL . . . . . 0.519 HG21 HG23 ' A' ' 538' ' ' ILE . 69.0 t -86.35 116.24 28.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 115.744 -0.662 . . . . 1.05 110.897 179.631 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 548' ' ' THR . . . . . . . . . . . . . 23.5 p -92.83 -36.18 12.99 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.992 -0.549 . . . . 1.11 111.725 179.742 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 549' ' ' ASN . . . . . 0.503 ' HB2' ' CB ' ' A' ' 562' ' ' GLU . 19.6 m120 -143.33 156.19 44.64 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.142 -0.481 . . . . 1.49 110.259 -178.25 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 550' ' ' TYR . . . . . 0.629 ' CG ' HD12 ' A' ' 538' ' ' ILE . 3.3 p90 -161.31 150.59 16.49 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 116.11 -0.496 . . . . 0.96 109.816 178.553 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 551' ' ' ILE . . . . . 0.429 ' HB ' ' HB2' ' A' ' 560' ' ' PHE . 48.0 mt -144.42 123.3 6.68 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 N-CA-C 108.261 -1.015 . . . . 1.1 108.261 -175.778 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 552' ' ' LEU . . . . . 0.516 HD11 ' HA ' ' A' ' 534' ' ' GLU . 30.4 mt -108.78 120.45 42.52 Favored 'General case' 0 C--N 1.315 -0.892 0 C-N-CA 119.72 -0.792 . . . . 1.17 110.314 -179.038 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 553' ' ' MET . . . . . . . . . . . . . 64.4 mtm -108.16 82.81 1.69 Allowed 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 108.545 -0.909 . . . . 1.55 108.545 -179.115 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 554' ' ' LYS . . . . . 0.488 ' HD2' ' HB2' ' A' ' 532' ' ' CYS . 11.7 mmtm -53.35 -27.9 26.07 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 114.367 -1.288 . . . . 1.63 112.122 176.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 555' ' ' SER . . . . . . . . . . . . . 65.3 p -69.59 -42.6 74.22 Favored 'General case' 0 N--CA 1.448 -0.526 0 CA-C-O 120.684 0.278 . . . . 0.7 111.518 -174.311 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 556' ' ' THR . . . . . 0.428 ' O ' ' HG3' ' A' ' 558' ' ' GLN . 40.7 p -99.23 5.63 46.61 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 112.535 0.568 . . . . 1.14 112.535 -177.419 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 557' ' ' ASN . . . . . . . . . . . . . 38.1 m-80 59.24 39.12 23.04 Favored 'General case' 0 N--CA 1.471 0.581 0 CA-C-O 121.778 0.799 . . . . 2.03 110.217 -177.411 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 558' ' ' GLN . . . . . 0.428 ' HG3' ' O ' ' A' ' 556' ' ' THR . 76.7 mt-30 -141.21 166.61 24.3 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.033 -0.985 . . . . 1.24 109.873 -175.118 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 559' ' ' ALA . . . . . . . . . . . . . . . -157.39 165.82 34.73 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.351 0.596 . . . . 1.04 111.87 -178.5 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 560' ' ' PHE . . . . . 0.429 ' HB2' ' HB ' ' A' ' 551' ' ' ILE . 90.2 m-85 -120.68 143.76 48.55 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 115.445 -0.798 . . . . 0.46 110.422 176.286 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 561' ' ' LEU . . . . . 0.608 ' O ' ' HB ' ' A' ' 522' ' ' VAL . 64.5 tp -134.52 118.13 16.96 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.052 -0.522 . . . . 1.06 109.913 179.18 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 562' ' ' GLU . . . . . 0.503 ' CB ' ' HB2' ' A' ' 549' ' ' ASN . 0.2 OUTLIER -102.74 136.52 42.42 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.804 -0.635 . . . . 2.09 110.02 179.345 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 563' ' ' MET . . . . . 0.627 ' SD ' ' HA ' ' A' ' 569' ' ' ALA . 31.7 mtt -122.32 163.93 18.82 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 115.525 -0.761 . . . . 1.06 109.839 -169.759 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 564' ' ' ALA . . . . . . . . . . . . . . . -68.23 -41.08 81.77 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.0 0.429 . . . . 1.25 111.368 -173.351 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 565' ' ' TYR . . . . . . . . . . . . . 97.5 m-85 -132.49 146.95 52.32 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.994 -0.548 . . . . 1.39 110.659 -179.009 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 566' ' ' THR . . . . . . . . . . . . . 14.0 t -58.36 -27.38 64.15 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.188 -0.914 . . . . 1.24 111.13 -179.708 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 567' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -59.68 -31.84 69.94 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.031 -0.531 . . . . 0.89 111.367 177.438 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 568' ' ' ALA . . . . . 0.638 ' O ' ' HG3' ' A' ' 572' ' ' MET . . . -73.23 -37.65 66.3 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 109.792 -0.448 . . . . 1.08 109.792 -179.251 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 569' ' ' ALA . . . . . 0.627 ' HA ' ' SD ' ' A' ' 563' ' ' MET . . . -64.06 -45.34 89.19 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.602 -0.727 . . . . 1.0 110.821 -177.333 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 570' ' ' GLN . . . . . 0.599 ' O ' ' HG2' ' A' ' 574' ' ' GLN . 12.2 pt20 -68.91 -38.31 79.51 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.747 -0.661 . . . . 1.72 110.307 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 571' ' ' ALA . . . . . . . . . . . . . . . -62.53 -43.63 98.33 Favored 'General case' 0 N--CA 1.454 -0.229 0 CA-C-N 116.251 -0.431 . . . . 1.08 111.239 -178.389 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 572' ' ' MET . . . . . 0.638 ' HG3' ' O ' ' A' ' 568' ' ' ALA . 36.1 mtt -65.79 -44.29 86.19 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.495 -0.321 . . . . 1.05 110.343 179.569 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 573' ' ' VAL . . . . . 0.617 ' O ' ' HG3' ' A' ' 577' ' ' GLN . 92.8 t -58.9 -46.77 91.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.515 -0.312 . . . . 1.08 110.233 179.244 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 574' ' ' GLN . . . . . 0.599 ' HG2' ' O ' ' A' ' 570' ' ' GLN . 28.8 mm-40 -61.33 -38.48 87.04 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.344 -0.389 . . . . 2.79 110.758 -179.745 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 575' ' ' TYR . . . . . . . . . . . . . 87.0 t80 -68.91 -52.77 25.87 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.967 -0.56 . . . . 1.09 110.869 -178.453 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 576' ' ' TYR . . . . . 0.707 ' HH ' ' HB3' ' A' ' 540' ' ' LEU . 58.7 m-85 -71.86 -13.31 61.63 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 112.725 0.639 . . . . 1.03 112.725 -176.355 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 577' ' ' GLN . . . . . 0.617 ' HG3' ' O ' ' A' ' 573' ' ' VAL . 92.4 mt-30 -67.31 -42.7 83.22 Favored 'General case' 0 C--N 1.326 -0.44 0 C-N-CA 120.458 -0.497 . . . . 2.14 109.995 171.822 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 578' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -91.54 -38.63 12.39 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.125 -0.488 . . . . 2.14 111.229 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 579' ' ' LYS . . . . . 0.544 ' O ' ' HA ' ' A' ' 576' ' ' TYR . 29.9 mtpp -127.84 91.72 44.35 Favored Pre-proline 0 C--N 1.327 -0.379 0 N-CA-C 109.883 -0.414 . . . . 2.95 109.883 175.666 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 580' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.49 160.63 49.05 Favored 'Trans proline' 0 C--O 1.234 0.311 0 C-N-CA 122.717 2.278 . . . . 0.51 112.694 -177.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 581' ' ' ALA . . . . . 0.457 ' HB2' ' CE1' ' A' ' 576' ' ' TYR . . . -91.76 127.95 37.41 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 109.028 -0.73 . . . . 1.09 109.028 175.92 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 582' ' ' ILE . . . . . . . . . . . . . 54.8 mt -101.46 121.69 52.68 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.814 0 CA-C-O 120.971 0.415 . . . . 1.19 111.226 -173.862 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 583' ' ' ILE . . . . . . . . . . . . . 33.2 mm -126.77 116.61 45.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 115.644 -0.707 . . . . 1.21 109.1 176.034 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 584' ' ' ASN . . . . . . . . . . . . . 3.3 m-20 59.15 32.6 22.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.309 0.576 . . . . 1.34 110.246 -179.115 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 585' ' ' GLY . . . . . . . . . . . . . . . 78.91 5.95 88.74 Favored Glycine 0 N--CA 1.445 -0.723 0 CA-C-N 115.629 -0.714 . . . . 0.51 112.975 179.076 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 586' ' ' GLU . . . . . . . . . . . . . 27.1 mt-10 -108.21 127.3 53.71 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 122.533 -0.392 . . . . 1.79 110.47 178.623 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 587' ' ' LYS . . . . . . . . . . . . . 38.1 mmtm -71.42 123.52 22.54 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.598 -0.728 . . . . 2.25 110.615 179.326 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 588' ' ' LEU . . . . . 0.426 HD11 HD11 ' A' ' 540' ' ' LEU . 61.5 mt -79.29 138.27 37.68 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 120.878 0.37 . . . . 1.03 110.787 177.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 589' ' ' LEU . . . . . . . . . . . . . 49.7 tp -112.58 112.53 24.13 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.858 -0.61 . . . . 1.13 110.267 177.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 590' ' ' ILE . . . . . 0.421 HG12 HG12 ' A' ' 524' ' ' ILE . 17.3 mt -100.11 129.1 51.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 N-CA-C 109.811 -0.44 . . . . 1.08 109.811 175.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 591' ' ' ARG . . . . . . . . . . . . . 12.9 mmm180 -147.02 159.03 44.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.37 -0.377 . . . . 3.18 110.655 -175.792 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 592' ' ' MET . . . . . . . . . . . . . 63.2 mtt -82.34 128.41 34.19 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 109.213 -0.662 . . . . 1.13 109.213 175.217 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 593' ' ' SER . . . . . . . . . . . . . 46.7 t -69.63 135.74 50.31 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.412 0.625 . . . . 1.65 111.365 -176.472 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 594' ' ' THR . . . . . . . . . . . . . 19.0 p -89.95 -12.66 38.12 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 114.814 -1.085 . . . . 1.14 111.567 -178.832 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 595' ' ' ARG . . . . . . . . . . . . . 95.3 mtt180 -103.43 -30.77 10.36 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 112.626 0.602 . . . . 3.37 112.626 -172.031 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 596' ' ' TYR . . . . . . . . . . . . . 86.2 m-85 -122.89 151.05 42.12 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.194 0.521 . . . . 1.15 111.967 -174.733 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 597' ' ' LYS . . . . . 0.566 ' N ' ' HD2' ' A' ' 597' ' ' LYS . 6.1 mptt -108.05 -24.13 11.71 Favored 'General case' 0 C--O 1.219 -0.514 0 CA-C-N 115.373 -0.83 . . . . 2.63 111.534 -177.366 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 598' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -141.9 150.84 42.04 Favored 'General case' 0 C--N 1.326 -0.444 0 C-N-CA 120.513 -0.475 . . . . 0.95 111.423 -177.024 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 599' ' ' LEU . . . . . 0.529 HD23 HG12 ' A' ' 521' ' ' VAL . 84.9 mt -108.89 125.69 52.27 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.247 -0.888 . . . . 1.18 110.852 176.597 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 600' ' ' GLN . . . . . . . . . . . . . 30.2 tt0 -114.58 125.29 53.61 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.959 -0.564 . . . . 1.65 109.933 177.624 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 601' ' ' LEU . . . . . . . . . . . . . 50.9 mt -75.37 98.61 3.9 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.147 0.498 . . . . 1.23 111.341 -177.843 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 602' ' ' LYS . . . . . . . . . . . . . 95.0 mttt -79.84 -23.72 41.81 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.605 0.717 . . . . 2.22 109.251 173.364 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 603' ' ' LYS . . . . . . . . . . . . . 34.1 mmtp . . . . . 0 C--N 1.324 -0.521 0 CA-C-N 114.95 -1.023 . . . . 2.26 109.123 176.379 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 607' ' ' ASN . . . . . . . . . . . . . 35.2 t30 . . . . . 0 C--O 1.232 0.165 0 CA-C-O 121.121 0.486 . . . . 1.8 111.053 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 608' ' ' VAL . . . . . 0.514 HG11 ' HB ' ' A' ' 547' ' ' VAL . 93.5 t -77.42 -26.76 15.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 115.688 -0.687 . . . . 1.07 111.406 -176.929 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 609' ' ' ALA . . . . . . . . . . . . . . . -62.83 -35.19 79.11 Favored 'General case' 0 C--O 1.239 0.52 0 CA-C-O 121.586 0.708 . . . . 1.27 110.761 176.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 610' ' ' ALA . . . . . . . . . . . . . . . -64.48 -27.56 69.06 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.515 -0.766 . . . . 1.14 110.028 177.229 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 611' ' ' ILE . . . . . 0.492 ' CD1' HD11 ' A' ' 538' ' ' ILE . 71.4 mt -70.63 -30.29 41.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 115.674 -0.694 . . . . 1.03 109.655 178.944 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 612' ' ' ILE . . . . . 0.467 ' CG1' HD13 ' A' ' 542' ' ' LEU . 60.6 mt -60.84 -43.45 95.57 Favored 'Isoleucine or valine' 0 C--O 1.234 0.251 0 N-CA-C 109.636 -0.505 . . . . 1.11 109.636 172.379 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 613' ' ' GLN . . . . . . . . . . . . . 80.7 mm-40 -63.21 -33.26 75.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.696 -0.684 . . . . 3.02 110.357 176.413 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 614' ' ' ASP . . . . . . . . . . . . . 21.1 m-20 -65.64 -41.87 92.11 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.788 -0.642 . . . . 1.95 110.817 177.408 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 615' ' ' ILE . . . . . 0.441 ' CD1' ' HB2' ' A' ' 542' ' ' LEU . 85.0 mt -63.34 -46.5 95.34 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-O 120.989 0.424 . . . . 1.08 110.563 178.667 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 616' ' ' HIS . . . . . . . . . . . . . 13.6 m-70 -63.29 -33.21 75.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.812 -0.631 . . . . 1.73 110.83 178.183 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 617' ' ' SER . . . . . . . . . . . . . 69.0 m . . . . . 0 N--CA 1.451 -0.38 0 CA-C-N 116.304 -0.407 . . . . 1.77 110.707 178.53 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 520' ' ' ARG . . . . . . . . . . . . . 32.3 mtm-85 . . . . . 0 N--CA 1.449 -0.49 0 CA-C-O 120.773 0.321 . . . . 2.86 110.323 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 521' ' ' VAL . . . . . 0.687 ' HB ' ' OG ' ' A' ' 593' ' ' SER . 62.2 t -118.41 124.55 73.3 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.664 0 CA-C-N 116.076 -0.511 . . . . 1.14 110.404 170.185 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 522' ' ' VAL . . . . . 0.593 ' HB ' ' O ' ' A' ' 561' ' ' LEU . 23.2 t -120.83 121.7 65.88 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.777 0 N-CA-C 107.538 -1.282 . . . . 1.05 107.538 170.938 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 523' ' ' HIS . . . . . . . . . . . . . 51.4 t-80 -105.89 133.69 50.21 Favored 'General case' 0 C--N 1.323 -0.584 0 O-C-N 121.791 -0.568 . . . . 0.57 110.87 -172.904 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 524' ' ' ILE . . . . . 0.4 HG12 HG12 ' A' ' 590' ' ' ILE . 32.6 mt -111.16 140.04 32.29 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.754 0 N-CA-C 108.738 -0.838 . . . . 1.06 108.738 177.906 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 525' ' ' CYS . . . . . 0.446 ' SG ' ' HG2' ' A' ' 558' ' ' GLN . 38.1 t -134.25 161.24 35.48 Favored 'General case' 0 C--N 1.314 -0.948 0 C-N-CA 120.811 -0.356 . . . . 1.75 111.185 -174.768 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 526' ' ' ASN . . . . . 0.413 ' HB2' ' O ' ' A' ' 525' ' ' CYS . 80.2 m-20 84.64 28.9 0.06 Allowed 'General case' 0 N--CA 1.468 0.454 0 O-C-N 124.663 1.227 . . . . 0.28 111.228 172.042 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 527' ' ' LEU . . . . . 0.456 ' O ' ' HB3' ' A' ' 557' ' ' ASN . 83.9 mt -81.66 125.44 78.22 Favored Pre-proline 0 C--N 1.324 -0.537 0 N-CA-C 108.638 -0.875 . . . . 1.04 108.638 178.461 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 528' ' ' PRO . . . . . . . . . . . . . 9.5 Cg_exo -69.05 135.42 32.11 Favored 'Trans proline' 0 N--CA 1.458 -0.594 0 C-N-CA 121.4 1.4 . . . . 0.5 111.547 -178.717 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 529' ' ' GLU . . . . . 0.428 ' HB2' ' OD1' ' A' ' 557' ' ' ASN . 33.2 tt0 -65.37 136.18 56.21 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 109.378 -0.601 . . . . 1.6 109.378 176.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 530' ' ' GLY . . . . . . . . . . . . . . . 84.71 4.47 87.4 Favored Glycine 0 N--CA 1.446 -0.651 0 C-N-CA 119.919 -1.134 . . . . 0.52 110.933 -172.796 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 531' ' ' SER . . . . . . . . . . . . . 19.5 m -142.08 4.07 1.62 Allowed 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.425 0.631 . . . . 1.49 109.684 -175.814 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 532' ' ' CYS . . . . . . . . . . . . . 85.3 m -89.19 86.9 6.97 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.683 -0.689 . . . . 0.25 109.466 -178.577 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 533' ' ' THR . . . . . 0.475 ' O ' HG23 ' A' ' 537' ' ' VAL . 26.8 p -107.67 152.96 23.61 Favored 'General case' 0 C--N 1.319 -0.757 0 N-CA-C 108.875 -0.787 . . . . 1.1 108.875 179.892 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 534' ' ' GLU . . . . . 0.565 ' HA ' HD12 ' A' ' 552' ' ' LEU . 12.2 mp0 -64.61 -32.82 74.65 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-O 121.228 0.537 . . . . 1.64 109.73 178.926 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 535' ' ' ASN . . . . . . . . . . . . . 10.6 m120 -62.92 -48.1 80.41 Favored 'General case' 0 C--O 1.218 -0.575 0 CA-C-N 115.275 -0.875 . . . . 1.86 111.657 -179.508 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 536' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -67.2 -45.94 75.38 Favored 'General case' 0 N--CA 1.47 0.57 0 CA-C-O 121.744 0.783 . . . . 0.61 110.89 -172.72 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 537' ' ' VAL . . . . . 0.475 HG23 ' O ' ' A' ' 533' ' ' THR . 27.9 t -62.23 -49.03 85.67 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.753 0 CA-C-N 114.459 -1.246 . . . . 1.03 110.428 -176.467 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 538' ' ' ILE . . . . . 0.644 HD12 ' CG ' ' A' ' 550' ' ' TYR . 58.7 mt -68.92 -34.36 63.87 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.745 0 CA-C-N 115.607 -0.724 . . . . 1.06 111.56 177.219 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 539' ' ' ASN . . . . . 0.494 ' HA ' HD11 ' A' ' 615' ' ' ILE . 9.2 m120 -59.12 -25.45 63.86 Favored 'General case' 0 CA--C 1.516 -0.346 0 C-N-CA 120.958 -0.297 . . . . 0.25 110.486 176.91 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 540' ' ' LEU . . . . . 0.45 HD11 HD12 ' A' ' 588' ' ' LEU . 95.3 mt -75.13 -41.5 58.26 Favored 'General case' 0 C--N 1.322 -0.616 0 C-N-CA 120.645 -0.422 . . . . 1.11 110.061 172.824 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 541' ' ' GLY . . . . . 0.408 ' HA2' ' SD ' ' A' ' 572' ' ' MET . . . -66.48 -51.51 41.95 Favored Glycine 0 CA--C 1.525 0.691 0 N-CA-C 115.62 1.008 . . . . 0.19 115.62 -179.349 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 542' ' ' LEU . . . . . 0.478 ' HA ' ' O ' ' A' ' 545' ' ' GLY . 75.6 mt -59.57 -43.17 95.24 Favored Pre-proline 0 C--N 1.319 -0.725 0 N-CA-C 115.303 1.594 . . . . 1.06 115.303 -168.243 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 543' ' ' PRO . . . . . 0.422 ' HG3' HD12 ' A' ' 615' ' ' ILE . 50.7 Cg_exo -60.63 -22.49 72.87 Favored 'Trans proline' 0 CA--C 1.534 0.477 0 C-N-CA 121.706 1.604 . . . . 0.25 113.638 -179.377 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 544' ' ' PHE . . . . . . . . . . . . . 96.7 m-85 -103.4 -15.89 15.77 Favored 'General case' 0 C--O 1.233 0.213 0 N-CA-C 112.146 0.425 . . . . 0.38 112.146 178.361 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 545' ' ' GLY . . . . . 0.478 ' O ' ' HA ' ' A' ' 542' ' ' LEU . . . -173.03 -179.5 43.76 Favored Glycine 0 C--O 1.224 -0.506 0 C-N-CA 120.353 -0.927 . . . . 0.44 112.394 -176.05 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 546' ' ' LYS . . . . . . . . . . . . . 26.6 ttpp -96.05 122.88 39.35 Favored 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 109.889 -0.412 . . . . 2.62 109.889 -177.297 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 547' ' ' VAL . . . . . 0.553 ' HB ' HG12 ' A' ' 608' ' ' VAL . 71.6 t -89.96 115.46 29.51 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 CA-C-N 116.491 -0.322 . . . . 1.05 110.78 179.348 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 548' ' ' THR . . . . . . . . . . . . . 21.1 p -95.58 -37.68 10.74 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 112.182 0.438 . . . . 1.11 112.182 178.283 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 549' ' ' ASN . . . . . . . . . . . . . 4.1 m-20 -141.43 158.71 43.51 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.962 -0.563 . . . . 1.49 109.785 -178.019 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 550' ' ' TYR . . . . . 0.644 ' CG ' HD12 ' A' ' 538' ' ' ILE . 3.5 p90 -161.83 152.46 17.59 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 116.02 -0.536 . . . . 0.96 109.648 -179.377 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 551' ' ' ILE . . . . . 0.432 ' HB ' ' HB2' ' A' ' 560' ' ' PHE . 41.0 mt -144.16 126.59 11.06 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 N-CA-C 107.684 -1.228 . . . . 1.1 107.684 -179.679 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 552' ' ' LEU . . . . . 0.565 HD12 ' HA ' ' A' ' 534' ' ' GLU . 21.2 mt -106.68 129.06 54.64 Favored 'General case' 0 C--N 1.309 -1.186 0 C-N-CA 118.967 -1.093 . . . . 1.17 110.286 -179.623 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 553' ' ' MET . . . . . . . . . . . . . 32.1 mtp -104.4 80.14 1.66 Allowed 'General case' 0 C--N 1.32 -0.686 0 N-CA-C 108.317 -0.994 . . . . 1.55 108.317 -178.446 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 554' ' ' LYS . . . . . . . . . . . . . 24.2 mmtp -54.27 -28.68 43.43 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 114.939 -1.028 . . . . 1.63 112.866 176.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 555' ' ' SER . . . . . . . . . . . . . 62.7 p -69.59 -44.62 70.41 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 111.964 0.357 . . . . 0.7 111.964 -175.183 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 556' ' ' THR . . . . . . . . . . . . . 45.3 p -102.54 7.9 40.0 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 112.548 0.573 . . . . 1.14 112.548 -174.294 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 557' ' ' ASN . . . . . 0.456 ' HB3' ' O ' ' A' ' 527' ' ' LEU . 87.0 m-20 58.96 39.84 23.15 Favored 'General case' 0 N--CA 1.467 0.419 0 CA-C-O 121.721 0.772 . . . . 2.03 110.432 -177.311 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 558' ' ' GLN . . . . . 0.446 ' HG2' ' SG ' ' A' ' 525' ' ' CYS . 79.2 mt-30 -137.99 169.56 17.57 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 114.924 -1.035 . . . . 1.24 109.567 -176.498 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 559' ' ' ALA . . . . . . . . . . . . . . . -158.62 166.75 31.32 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.49 0.662 . . . . 1.04 112.751 179.339 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 560' ' ' PHE . . . . . 0.432 ' HB2' ' HB ' ' A' ' 551' ' ' ILE . 94.9 m-85 -118.47 142.62 47.39 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.202 -0.908 . . . . 0.46 110.223 175.599 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 561' ' ' LEU . . . . . 0.593 ' O ' ' HB ' ' A' ' 522' ' ' VAL . 60.5 tp -134.51 119.39 18.42 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.858 -0.61 . . . . 1.06 109.801 179.746 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 562' ' ' GLU . . . . . 0.435 ' HB2' HD13 ' A' ' 599' ' ' LEU . 30.6 tt0 -99.82 122.93 43.51 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 121.427 0.632 . . . . 2.09 110.281 178.801 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 563' ' ' MET . . . . . 0.651 ' SD ' ' HA ' ' A' ' 569' ' ' ALA . 31.1 mtt -107.96 162.27 14.18 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-N 115.072 -0.967 . . . . 1.06 109.235 -178.674 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 564' ' ' ALA . . . . . . . . . . . . . . . -60.35 -44.98 95.05 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 117.999 0.363 . . . . 1.25 111.795 -172.898 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 565' ' ' TYR . . . . . . . . . . . . . 77.3 m-85 -138.37 162.94 33.13 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.313 -0.403 . . . . 1.39 111.524 -175.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 566' ' ' THR . . . . . . . . . . . . . 13.4 t -60.97 -28.17 68.8 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.729 -0.669 . . . . 1.24 110.612 -179.512 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 567' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -61.89 -32.99 73.41 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.812 -0.631 . . . . 0.89 111.22 -179.749 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 568' ' ' ALA . . . . . 0.66 ' O ' ' HG3' ' A' ' 572' ' ' MET . . . -73.66 -41.73 62.31 Favored 'General case' 0 N--CA 1.45 -0.448 0 N-CA-C 109.495 -0.558 . . . . 1.08 109.495 179.412 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 569' ' ' ALA . . . . . 0.651 ' HA ' ' SD ' ' A' ' 563' ' ' MET . . . -65.1 -45.13 86.43 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.318 -0.856 . . . . 1.0 111.378 -176.199 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 570' ' ' GLN . . . . . 0.422 ' O ' ' HG3' ' A' ' 574' ' ' GLN . 20.5 pt20 -68.01 -37.07 80.99 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.307 -0.406 . . . . 1.72 110.382 -178.363 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 571' ' ' ALA . . . . . . . . . . . . . . . -62.3 -44.93 95.39 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.203 -0.453 . . . . 1.08 110.802 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 572' ' ' MET . . . . . 0.66 ' HG3' ' O ' ' A' ' 568' ' ' ALA . 28.0 mtt -68.99 -40.66 78.64 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.07 -0.514 . . . . 1.05 110.537 -178.48 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 573' ' ' VAL . . . . . 0.558 HG22 ' O ' ' A' ' 569' ' ' ALA . 91.4 t -59.77 -46.46 93.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.902 0.382 . . . . 1.08 110.079 177.302 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 574' ' ' GLN . . . . . 0.422 ' HG3' ' O ' ' A' ' 570' ' ' GLN . 28.6 mt-30 -61.19 -38.37 86.28 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.193 -0.458 . . . . 2.79 110.859 178.888 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 575' ' ' TYR . . . . . . . . . . . . . 71.6 t80 -70.5 -53.96 14.16 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.086 -0.506 . . . . 1.09 110.993 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 576' ' ' TYR . . . . . 0.454 ' CE1' ' HB1' ' A' ' 581' ' ' ALA . 80.0 m-85 -74.75 -14.17 60.68 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 113.246 0.832 . . . . 1.03 113.246 -172.774 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 577' ' ' GLN . . . . . 0.48 ' HG3' ' O ' ' A' ' 573' ' ' VAL . 25.3 mt-30 -74.36 -40.61 62.02 Favored 'General case' 0 C--N 1.323 -0.568 0 C-N-CA 120.077 -0.649 . . . . 2.14 109.889 173.326 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 578' ' ' GLU . . . . . . . . . . . . . 8.3 mm-40 -86.39 -37.55 18.28 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.147 -0.479 . . . . 2.14 110.949 178.872 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 579' ' ' LYS . . . . . 0.542 ' HZ1' ' HB3' ' A' ' 579' ' ' LYS . 9.5 mtpm? -128.55 87.1 55.95 Favored Pre-proline 0 C--N 1.326 -0.445 0 N-CA-C 109.955 -0.387 . . . . 2.95 109.955 175.483 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 580' ' ' PRO . . . . . . . . . . . . . 32.8 Cg_endo -64.09 160.2 39.19 Favored 'Trans proline' 0 C--O 1.233 0.273 0 C-N-CA 122.638 2.225 . . . . 0.51 112.243 -179.503 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 581' ' ' ALA . . . . . 0.454 ' HB1' ' CE1' ' A' ' 576' ' ' TYR . . . -91.4 134.69 34.41 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.194 -0.457 . . . . 1.09 110.006 -179.428 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 582' ' ' ILE . . . . . . . . . . . . . 47.0 mt -103.04 118.59 50.22 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.799 0 CA-C-O 120.842 0.353 . . . . 1.19 111.219 -175.8 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 583' ' ' ILE . . . . . . . . . . . . . 36.2 mm -125.91 112.04 29.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 N-CA-C 109.534 -0.543 . . . . 1.21 109.534 173.413 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 584' ' ' ASN . . . . . . . . . . . . . 94.8 m-20 50.58 42.6 27.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.868 0.842 . . . . 1.34 111.119 -179.885 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 585' ' ' GLY . . . . . . . . . . . . . . . 83.4 1.48 90.28 Favored Glycine 0 N--CA 1.445 -0.752 0 CA-C-N 114.628 -1.169 . . . . 0.51 114.392 175.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 586' ' ' GLU . . . . . . . . . . . . . 30.6 mm-40 -100.83 125.61 47.36 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 118.041 0.921 . . . . 1.79 111.134 177.395 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 587' ' ' LYS . . . . . . . . . . . . . 44.7 mmtm -74.55 115.21 13.83 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-N 115.538 -0.755 . . . . 2.25 110.175 171.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 588' ' ' LEU . . . . . 0.45 HD12 HD11 ' A' ' 540' ' ' LEU . 54.8 mt -83.58 141.2 31.75 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 120.812 0.339 . . . . 1.03 111.156 -178.242 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 589' ' ' LEU . . . . . . . . . . . . . 58.1 tp -112.87 112.08 23.31 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.833 -0.622 . . . . 1.13 110.901 -179.149 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 590' ' ' ILE . . . . . 0.413 HD11 ' CD2' ' A' ' 576' ' ' TYR . 17.7 mt -103.07 120.94 53.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 N-CA-C 110.015 -0.365 . . . . 1.08 110.015 175.459 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 591' ' ' ARG . . . . . . . . . . . . . 74.6 mtp180 -146.91 165.55 29.43 Favored 'General case' 0 N--CA 1.462 0.151 0 CA-C-O 120.895 0.378 . . . . 3.18 110.413 -176.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 592' ' ' MET . . . . . . . . . . . . . 53.2 mtt -82.34 151.14 26.83 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.228 -0.442 . . . . 1.13 110.699 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 593' ' ' SER . . . . . 0.687 ' OG ' ' HB ' ' A' ' 521' ' ' VAL . 58.3 p -83.52 129.73 34.98 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.856 -0.611 . . . . 1.65 111.737 -176.696 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 594' ' ' THR . . . . . . . . . . . . . 18.6 p -91.64 -17.83 24.93 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.999 -0.546 . . . . 1.14 111.875 175.388 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 595' ' ' ARG . . . . . . . . . . . . . 44.7 mtp180 -102.99 -29.99 11.06 Favored 'General case' 0 CA--C 1.533 0.298 0 N-CA-C 112.921 0.711 . . . . 3.37 112.921 -171.42 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 596' ' ' TYR . . . . . . . . . . . . . 30.3 m-85 -125.26 145.6 49.92 Favored 'General case' 0 N--CA 1.468 0.435 0 N-CA-C 112.256 0.465 . . . . 1.15 112.256 -176.662 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 597' ' ' LYS . . . . . . . . . . . . . 37.1 mmtm -109.02 -11.27 14.98 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.711 -0.677 . . . . 2.63 112.456 -179.676 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 598' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -142.26 150.26 40.66 Favored 'General case' 0 C--N 1.324 -0.512 0 C-N-CA 120.237 -0.585 . . . . 0.95 111.396 -174.093 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 599' ' ' LEU . . . . . 0.476 HD23 HG13 ' A' ' 521' ' ' VAL . 58.0 mt -115.01 121.52 43.38 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.168 -0.924 . . . . 1.18 110.625 176.549 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 600' ' ' GLN . . . . . . . . . . . . . 29.4 tt0 -111.96 123.34 50.04 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.702 -0.681 . . . . 1.65 109.713 178.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 601' ' ' LEU . . . . . . . . . . . . . 93.7 mt -76.93 92.58 3.68 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.627 -0.261 . . . . 1.23 111.416 -176.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 602' ' ' LYS . . . . . . . . . . . . . 67.2 mttm -66.18 -32.43 73.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.338 0.59 . . . . 2.22 109.502 172.762 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 603' ' ' LYS . . . . . . . . . . . . . 74.6 mmtt . . . . . 0 C--N 1.324 -0.509 0 CA-C-N 115.289 -0.869 . . . . 2.26 109.283 179.557 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 607' ' ' ASN . . . . . . . . . . . . . 25.8 t30 . . . . . 0 C--O 1.234 0.286 0 CA-C-O 120.966 0.412 . . . . 1.8 110.303 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 608' ' ' VAL . . . . . 0.553 HG12 ' HB ' ' A' ' 547' ' ' VAL . 69.3 t -86.31 -25.87 6.33 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-N 115.809 -0.632 . . . . 1.07 111.069 -176.132 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 609' ' ' ALA . . . . . . . . . . . . . . . -59.53 -33.68 71.69 Favored 'General case' 0 C--O 1.237 0.416 0 CA-C-O 121.371 0.605 . . . . 1.27 110.478 175.226 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 610' ' ' ALA . . . . . . . . . . . . . . . -65.39 -30.32 71.13 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.778 -0.646 . . . . 1.14 110.13 176.631 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 611' ' ' ILE . . . . . 0.444 ' O ' ' HB2' ' A' ' 614' ' ' ASP . 76.8 mt -70.77 -29.49 38.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 115.65 -0.704 . . . . 1.03 109.801 179.416 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 612' ' ' ILE . . . . . 0.448 ' CG1' HD12 ' A' ' 542' ' ' LEU . 64.1 mt -61.02 -40.67 86.39 Favored 'Isoleucine or valine' 0 C--O 1.235 0.291 0 CA-C-O 121.279 0.561 . . . . 1.11 109.611 171.316 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 613' ' ' GLN . . . . . . . . . . . . . 23.5 mt-30 -64.08 -30.19 71.28 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.392 -0.822 . . . . 3.02 110.483 177.262 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 614' ' ' ASP . . . . . 0.444 ' HB2' ' O ' ' A' ' 611' ' ' ILE . 2.5 m-20 -64.86 -44.86 88.37 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-N 115.936 -0.575 . . . . 1.95 110.161 177.253 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 615' ' ' ILE . . . . . 0.494 HD11 ' HA ' ' A' ' 539' ' ' ASN . 81.1 mt -65.05 -43.13 95.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 115.899 -0.591 . . . . 1.08 110.323 178.538 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 616' ' ' HIS . . . . . . . . . . . . . 51.5 m170 -64.08 -37.82 88.82 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.558 -0.746 . . . . 1.73 111.392 179.805 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 617' ' ' SER . . . . . . . . . . . . . 26.1 m . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.51 -0.313 . . . . 1.77 110.498 176.424 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 520' ' ' ARG . . . . . . . . . . . . . 42.8 mtm-85 . . . . . 0 CA--C 1.515 -0.373 0 N-CA-C 109.6 -0.518 . . . . 2.86 109.6 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 521' ' ' VAL . . . . . 0.491 HG12 HD22 ' A' ' 599' ' ' LEU . 56.8 t -117.07 121.19 67.21 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.703 0 CA-C-O 120.99 0.424 . . . . 1.14 111.233 174.406 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 522' ' ' VAL . . . . . 0.493 ' HB ' ' O ' ' A' ' 561' ' ' LEU . 25.3 t -121.04 121.57 65.35 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.815 0 N-CA-C 107.942 -1.133 . . . . 1.05 107.942 175.657 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 523' ' ' HIS . . . . . 0.402 ' HD2' ' CZ ' ' A' ' 560' ' ' PHE . 58.9 t-80 -106.18 135.28 47.93 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.01 0.433 . . . . 0.57 110.056 -175.221 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 524' ' ' ILE . . . . . 0.429 HG12 HG12 ' A' ' 590' ' ' ILE . 33.3 mt -111.18 138.93 37.47 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.929 0 N-CA-C 108.45 -0.944 . . . . 1.06 108.45 177.713 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 525' ' ' CYS . . . . . 0.43 ' O ' ' HB2' ' A' ' 526' ' ' ASN . 0.0 OUTLIER -132.24 157.9 43.17 Favored 'General case' 0 C--N 1.318 -0.79 0 C-N-CA 120.873 -0.331 . . . . 1.75 111.033 -171.294 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 526' ' ' ASN . . . . . 0.43 ' HB2' ' O ' ' A' ' 525' ' ' CYS . 83.3 m-20 82.6 30.18 0.1 Allowed 'General case' 0 N--CA 1.469 0.495 0 O-C-N 124.447 1.092 . . . . 0.28 110.824 172.868 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 527' ' ' LEU . . . . . . . . . . . . . 81.8 mt -85.73 123.69 72.06 Favored Pre-proline 0 C--N 1.319 -0.723 0 N-CA-C 108.386 -0.968 . . . . 1.04 108.386 176.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 528' ' ' PRO . . . . . . . . . . . . . 7.6 Cg_exo -71.54 131.81 19.42 Favored 'Trans proline' 0 N--CA 1.456 -0.689 0 C-N-CA 121.039 1.159 . . . . 0.5 111.259 -178.425 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 529' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -65.85 138.51 57.93 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 109.524 -0.547 . . . . 1.6 109.524 177.794 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 530' ' ' GLY . . . . . . . . . . . . . . . 87.66 3.13 81.12 Favored Glycine 0 N--CA 1.443 -0.835 0 C-N-CA 120.185 -1.007 . . . . 0.52 110.596 -173.435 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 531' ' ' SER . . . . . . . . . . . . . 55.5 m -147.5 8.19 0.89 Allowed 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.186 -0.507 . . . . 1.49 109.817 -178.596 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 532' ' ' CYS . . . . . 0.434 ' HB2' ' HD2' ' A' ' 554' ' ' LYS . 70.0 m -89.88 86.11 6.55 Favored 'General case' 0 CA--C 1.516 -0.354 0 N-CA-C 108.764 -0.828 . . . . 0.25 108.764 179.013 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 533' ' ' THR . . . . . 0.421 ' O ' HG21 ' A' ' 537' ' ' VAL . 34.0 p -96.83 152.22 18.9 Favored 'General case' 0 C--N 1.317 -0.807 0 N-CA-C 108.889 -0.782 . . . . 1.1 108.889 -178.585 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 534' ' ' GLU . . . . . 0.536 ' HA ' HD12 ' A' ' 552' ' ' LEU . 15.5 mp0 -64.98 -33.8 76.91 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-O 121.602 0.715 . . . . 1.64 109.106 176.445 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 535' ' ' ASN . . . . . . . . . . . . . 61.7 t30 -65.46 -48.14 73.71 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 114.561 -1.199 . . . . 1.86 111.277 -176.364 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 536' ' ' ASP . . . . . . . . . . . . . 39.5 m-20 -69.35 -45.66 68.89 Favored 'General case' 0 N--CA 1.476 0.85 0 CA-C-O 121.293 0.568 . . . . 0.61 111.475 -172.808 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 537' ' ' VAL . . . . . 0.421 HG21 ' O ' ' A' ' 533' ' ' THR . 44.3 t -59.63 -48.48 87.25 Favored 'Isoleucine or valine' 0 C--O 1.243 0.714 0 CA-C-N 114.862 -1.063 . . . . 1.03 110.024 -178.087 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 538' ' ' ILE . . . . . 0.737 HD13 ' CG ' ' A' ' 550' ' ' TYR . 33.0 mt -69.04 -32.54 54.73 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.894 0 CA-C-N 115.32 -0.855 . . . . 1.06 111.611 176.139 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 539' ' ' ASN . . . . . 0.417 ' HA ' HD11 ' A' ' 615' ' ' ILE . 10.2 m120 -57.94 -25.59 61.13 Favored 'General case' 0 CA--C 1.516 -0.344 0 N-CA-C 109.804 -0.443 . . . . 0.25 109.804 175.398 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 540' ' ' LEU . . . . . . . . . . . . . 89.7 mt -75.02 -42.59 57.02 Favored 'General case' 0 N--CA 1.45 -0.455 0 N-CA-C 109.874 -0.417 . . . . 1.11 109.874 173.604 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 541' ' ' GLY . . . . . 0.595 ' HA2' ' SD ' ' A' ' 572' ' ' MET . . . -69.25 -52.37 22.85 Favored Glycine 0 CA--C 1.525 0.712 0 N-CA-C 115.66 1.024 . . . . 0.19 115.66 -178.366 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 542' ' ' LEU . . . . . 0.46 ' HA ' ' O ' ' A' ' 545' ' ' GLY . 36.3 mt -55.83 -46.04 99.8 Favored Pre-proline 0 C--N 1.321 -0.65 0 N-CA-C 114.855 1.428 . . . . 1.06 114.855 -168.833 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 543' ' ' PRO . . . . . 0.443 ' HG3' HD12 ' A' ' 615' ' ' ILE . 42.4 Cg_exo -61.14 -22.07 73.56 Favored 'Trans proline' 0 C--N 1.349 0.586 0 C-N-CA 121.94 1.76 . . . . 0.25 113.336 -177.551 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 544' ' ' PHE . . . . . 0.441 ' HB2' ' HE3' ' A' ' 572' ' ' MET . 96.0 m-85 -99.95 -16.15 18.07 Favored 'General case' 0 C--N 1.33 -0.255 0 O-C-N 122.041 -0.412 . . . . 0.38 111.283 176.765 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 545' ' ' GLY . . . . . 0.46 ' O ' ' HA ' ' A' ' 542' ' ' LEU . . . 175.38 157.7 17.38 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.424 -0.894 . . . . 0.44 112.546 -178.869 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 546' ' ' LYS . . . . . . . . . . . . . 56.0 tptt -65.73 129.79 41.0 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.23 0.538 . . . . 2.62 111.665 -178.44 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 547' ' ' VAL . . . . . 0.525 ' HB ' HG13 ' A' ' 608' ' ' VAL . 81.8 t -94.53 116.0 34.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-N 115.254 -0.884 . . . . 1.05 110.115 176.24 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 548' ' ' THR . . . . . . . . . . . . . 22.7 p -93.65 -36.34 12.4 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.471 -0.331 . . . . 1.11 111.728 179.236 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 549' ' ' ASN . . . . . . . . . . . . . 88.4 m-20 -143.5 162.32 36.14 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.083 -0.508 . . . . 1.49 110.636 177.893 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 550' ' ' TYR . . . . . 0.737 ' CG ' HD13 ' A' ' 538' ' ' ILE . 4.6 p90 -162.31 154.15 18.65 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.762 -0.654 . . . . 0.96 109.651 -179.933 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 551' ' ' ILE . . . . . 0.476 ' HB ' ' HB2' ' A' ' 560' ' ' PHE . 41.2 mt -140.54 123.79 16.85 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.728 0 N-CA-C 108.144 -1.058 . . . . 1.1 108.144 -178.686 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 552' ' ' LEU . . . . . 0.536 HD12 ' HA ' ' A' ' 534' ' ' GLU . 20.3 mt -107.63 124.86 50.6 Favored 'General case' 0 C--N 1.311 -1.088 0 C-N-CA 119.298 -0.961 . . . . 1.17 110.272 -179.348 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 553' ' ' MET . . . . . . . . . . . . . 27.2 mtp -107.26 80.94 1.47 Allowed 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 108.326 -0.99 . . . . 1.55 108.326 -177.758 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 554' ' ' LYS . . . . . 0.434 ' HD2' ' HB2' ' A' ' 532' ' ' CYS . 22.8 mmtp -54.0 -29.11 41.93 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 114.862 -1.063 . . . . 1.63 112.498 176.706 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 555' ' ' SER . . . . . . . . . . . . . 63.6 p -69.03 -43.0 75.59 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 111.911 0.337 . . . . 0.7 111.911 -174.259 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 556' ' ' THR . . . . . 0.43 ' O ' ' HG3' ' A' ' 558' ' ' GLN . 41.2 p -102.82 7.93 39.39 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 112.81 0.67 . . . . 1.14 112.81 -174.695 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 557' ' ' ASN . . . . . . . . . . . . . 43.7 m-80 59.14 39.64 22.77 Favored 'General case' 0 N--CA 1.47 0.542 0 CA-C-O 121.595 0.712 . . . . 2.03 110.155 -176.093 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 558' ' ' GLN . . . . . 0.43 ' HG3' ' O ' ' A' ' 556' ' ' THR . 77.1 mt-30 -138.2 167.28 22.16 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.21 -0.905 . . . . 1.24 109.758 -175.238 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 559' ' ' ALA . . . . . . . . . . . . . . . -159.11 166.25 32.01 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.242 0.544 . . . . 1.04 112.102 177.859 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 560' ' ' PHE . . . . . 0.476 ' HB2' ' HB ' ' A' ' 551' ' ' ILE . 89.1 m-85 -120.84 147.47 45.34 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.452 -0.795 . . . . 0.46 110.439 174.423 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 561' ' ' LEU . . . . . 0.493 ' O ' ' HB ' ' A' ' 522' ' ' VAL . 57.3 tp -135.02 119.19 17.64 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 115.478 -0.783 . . . . 1.06 109.672 -179.913 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 562' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -99.23 122.26 42.17 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.605 0.716 . . . . 2.09 110.222 179.124 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 563' ' ' MET . . . . . 0.693 ' SD ' ' HA ' ' A' ' 569' ' ' ALA . 34.4 mtt -108.73 146.8 32.95 Favored 'General case' 0 C--N 1.313 -0.979 0 CA-C-N 114.889 -1.051 . . . . 1.06 109.336 -176.844 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 564' ' ' ALA . . . . . . . . . . . . . . . -63.48 -24.04 67.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.631 -0.713 . . . . 1.25 112.3 -170.864 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 565' ' ' TYR . . . . . . . . . . . . . 76.6 m-85 -145.3 156.48 43.83 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.018 0.437 . . . . 1.39 110.808 -178.675 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 566' ' ' THR . . . . . . . . . . . . . 13.3 t -67.74 -27.17 66.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.344 -0.843 . . . . 1.24 110.241 -179.125 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 567' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -58.1 -33.68 69.36 Favored 'General case' 0 C--O 1.232 0.17 0 CA-C-N 115.665 -0.698 . . . . 0.89 110.861 178.209 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 568' ' ' ALA . . . . . 0.611 ' O ' ' HG3' ' A' ' 572' ' ' MET . . . -74.52 -42.48 58.83 Favored 'General case' 0 N--CA 1.448 -0.543 0 CA-C-N 115.828 -0.624 . . . . 1.08 110.352 -177.688 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 569' ' ' ALA . . . . . 0.693 ' HA ' ' SD ' ' A' ' 563' ' ' MET . . . -61.95 -45.34 94.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.708 -0.678 . . . . 1.0 111.822 -174.572 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 570' ' ' GLN . . . . . . . . . . . . . 28.6 pt20 -68.9 -36.58 78.21 Favored 'General case' 0 C--N 1.327 -0.393 0 C-N-CA 120.564 -0.455 . . . . 1.72 110.5 -177.625 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 571' ' ' ALA . . . . . . . . . . . . . . . -65.29 -43.12 92.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.207 -0.451 . . . . 1.08 111.028 -178.212 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 572' ' ' MET . . . . . 0.611 ' HG3' ' O ' ' A' ' 568' ' ' ALA . 25.4 mtt -69.0 -44.24 73.19 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.421 -0.354 . . . . 1.05 110.516 -179.577 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 573' ' ' VAL . . . . . 0.675 ' O ' ' HG2' ' A' ' 577' ' ' GLN . 72.6 t -59.91 -48.67 86.86 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.183 0 C-N-CA 120.983 -0.287 . . . . 1.08 110.33 179.46 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 574' ' ' GLN . . . . . . . . . . . . . 18.0 mm-40 -62.13 -36.23 81.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.319 -0.401 . . . . 2.79 111.032 -179.838 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 575' ' ' TYR . . . . . . . . . . . . . 85.5 t80 -66.41 -52.04 50.67 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.045 -0.525 . . . . 1.09 110.339 -179.364 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 576' ' ' TYR . . . . . 0.623 ' CE1' ' HB2' ' A' ' 581' ' ' ALA . 67.3 m-85 -76.79 -13.05 60.06 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 112.826 0.676 . . . . 1.03 112.826 -176.815 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 577' ' ' GLN . . . . . 0.675 ' HG2' ' O ' ' A' ' 573' ' ' VAL . 81.7 mm-40 -69.12 -42.69 75.71 Favored 'General case' 0 C--N 1.327 -0.396 0 C-N-CA 120.432 -0.507 . . . . 2.14 109.67 170.718 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 578' ' ' GLU . . . . . 0.462 ' HB2' ' HD2' ' A' ' 579' ' ' LYS . 70.2 mt-10 -86.46 -39.89 15.86 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.092 -0.504 . . . . 2.14 111.188 178.528 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 579' ' ' LYS . . . . . 0.462 ' HD2' ' HB2' ' A' ' 578' ' ' GLU . 6.5 mptt -131.82 87.11 46.13 Favored Pre-proline 0 C--N 1.329 -0.322 0 N-CA-C 109.82 -0.437 . . . . 2.95 109.82 179.553 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 580' ' ' PRO . . . . . . . . . . . . . 32.8 Cg_endo -64.52 160.82 37.84 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.593 2.195 . . . . 0.51 112.554 -178.031 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 581' ' ' ALA . . . . . 0.623 ' HB2' ' CE1' ' A' ' 576' ' ' TYR . . . -91.32 132.06 36.41 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 109.383 -0.599 . . . . 1.09 109.383 177.699 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 582' ' ' ILE . . . . . . . . . . . . . 71.7 mt -108.15 120.74 60.05 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.881 0 CA-C-O 121.016 0.436 . . . . 1.19 111.503 -173.792 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 583' ' ' ILE . . . . . . . . . . . . . 31.8 mm -123.19 117.84 52.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 115.645 -0.707 . . . . 1.21 109.097 175.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 584' ' ' ASN . . . . . . . . . . . . . 80.8 m-20 59.8 32.38 21.3 Favored 'General case' 0 N--CA 1.467 0.376 0 CA-C-O 121.17 0.51 . . . . 1.34 110.269 -177.068 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 585' ' ' GLY . . . . . . . . . . . . . . . 81.83 0.93 90.02 Favored Glycine 0 N--CA 1.447 -0.626 0 C-N-CA 120.914 -0.66 . . . . 0.51 112.98 -179.776 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 586' ' ' GLU . . . . . . . . . . . . . 35.0 mm-40 -102.24 126.67 49.29 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.887 0.344 . . . . 1.79 110.758 -177.791 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 587' ' ' LYS . . . . . . . . . . . . . 95.1 mttt -74.75 125.85 29.63 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.912 -0.586 . . . . 2.25 111.79 178.614 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 588' ' ' LEU . . . . . 0.415 ' HG ' ' O ' ' A' ' 581' ' ' ALA . 43.1 mt -88.05 140.83 29.09 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.993 -0.549 . . . . 1.03 110.497 178.671 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 589' ' ' LEU . . . . . . . . . . . . . 42.2 tp -112.47 111.54 22.45 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.131 -0.486 . . . . 1.13 110.928 -179.33 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 590' ' ' ILE . . . . . 0.429 HG12 HG12 ' A' ' 524' ' ' ILE . 17.2 mt -101.34 125.51 55.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 N-CA-C 110.191 -0.3 . . . . 1.08 110.191 175.518 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 591' ' ' ARG . . . . . . . . . . . . . 31.2 mtp180 -147.63 164.11 34.53 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.346 -0.388 . . . . 3.18 110.55 -178.298 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 592' ' ' MET . . . . . . . . . . . . . 65.4 mtt -82.34 140.42 33.54 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 109.234 -0.654 . . . . 1.13 109.234 176.567 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 593' ' ' SER . . . . . 0.457 ' OG ' HG13 ' A' ' 521' ' ' VAL . 23.6 m -87.25 136.82 32.79 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.158 0.504 . . . . 1.65 111.647 -173.784 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 594' ' ' THR . . . . . . . . . . . . . 18.8 p -91.57 -13.38 32.11 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.017 -0.992 . . . . 1.14 112.886 -175.276 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 595' ' ' ARG . . . . . . . . . . . . . 96.3 mtt180 -102.22 -28.94 12.0 Favored 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 112.724 0.639 . . . . 3.37 112.724 -170.315 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 596' ' ' TYR . . . . . . . . . . . . . 87.9 m-85 -127.9 148.92 50.5 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.747 0.308 . . . . 1.15 111.479 -178.22 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 597' ' ' LYS . . . . . . . . . . . . . 1.5 mtmt -110.77 -6.37 14.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.727 -0.67 . . . . 2.63 112.769 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 598' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -142.45 150.51 40.67 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.101 0.477 . . . . 0.95 110.936 -179.119 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 599' ' ' LEU . . . . . 0.491 HD22 HG12 ' A' ' 521' ' ' VAL . 80.5 mt -118.62 121.62 40.61 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.29 -0.868 . . . . 1.18 110.745 176.594 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 600' ' ' GLN . . . . . . . . . . . . . 25.2 tt0 -114.16 129.9 56.61 Favored 'General case' 0 C--N 1.32 -0.676 0 N-CA-C 109.392 -0.596 . . . . 1.65 109.392 177.408 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 601' ' ' LEU . . . . . . . . . . . . . 39.2 mt -78.82 94.92 5.25 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.037 0.446 . . . . 1.23 110.813 -179.369 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 602' ' ' LYS . . . . . . . . . . . . . 56.0 mtpt -77.64 -24.76 49.4 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.744 -0.662 . . . . 2.22 109.8 175.35 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 603' ' ' LYS . . . . . . . . . . . . . 12.3 mptt . . . . . 0 C--N 1.325 -0.472 0 CA-C-N 115.363 -0.835 . . . . 2.26 109.543 172.468 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 607' ' ' ASN . . . . . . . . . . . . . 47.8 t-20 . . . . . 0 C--O 1.234 0.244 0 CA-C-O 121.041 0.448 . . . . 1.8 110.587 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 608' ' ' VAL . . . . . 0.525 HG13 ' HB ' ' A' ' 547' ' ' VAL . 98.5 t -75.4 -21.2 16.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-N 115.511 -0.768 . . . . 1.07 111.293 -177.397 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 609' ' ' ALA . . . . . . . . . . . . . . . -65.21 -37.83 88.54 Favored 'General case' 0 C--O 1.236 0.363 0 CA-C-O 121.283 0.563 . . . . 1.27 110.322 177.148 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 610' ' ' ALA . . . . . . . . . . . . . . . -62.9 -29.84 71.08 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.502 -0.772 . . . . 1.14 109.987 176.635 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 611' ' ' ILE . . . . . 0.524 ' CD1' HD12 ' A' ' 538' ' ' ILE . 66.0 mt -70.52 -32.98 51.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 115.415 -0.812 . . . . 1.03 109.808 -179.556 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 612' ' ' ILE . . . . . 0.44 ' O ' ' HD2' ' A' ' 616' ' ' HIS . 64.2 mt -60.37 -44.09 95.24 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.196 0 CA-C-O 121.141 0.496 . . . . 1.11 109.775 173.803 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 613' ' ' GLN . . . . . . . . . . . . . 12.6 mm100 -63.88 -30.37 71.47 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.845 -0.616 . . . . 3.02 110.616 178.75 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 614' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -69.07 -33.58 73.78 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.548 -0.751 . . . . 1.95 110.914 178.232 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 615' ' ' ILE . . . . . 0.443 HD12 ' HG3' ' A' ' 543' ' ' PRO . 83.8 mt -72.95 -41.79 60.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-N 116.278 -0.419 . . . . 1.08 110.714 177.433 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 616' ' ' HIS . . . . . 0.44 ' HD2' ' O ' ' A' ' 612' ' ' ILE . 43.4 m-70 -69.49 -32.83 71.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.01 -0.541 . . . . 1.73 111.698 -179.89 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 617' ' ' SER . . . . . . . . . . . . . 10.2 p . . . . . 0 C--N 1.329 -0.305 0 N-CA-C 109.402 -0.592 . . . . 1.77 109.402 172.302 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 520' ' ' ARG . . . . . . . . . . . . . 18.7 mtm-85 . . . . . 0 N--CA 1.447 -0.61 0 CA-C-O 121.188 0.518 . . . . 2.86 110.988 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 521' ' ' VAL . . . . . 0.48 HG12 HD23 ' A' ' 599' ' ' LEU . 61.0 t -118.95 121.6 67.24 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.75 0 CA-C-N 115.394 -0.821 . . . . 1.14 109.978 166.457 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 522' ' ' VAL . . . . . 0.549 ' HB ' ' O ' ' A' ' 561' ' ' LEU . 25.4 t -119.67 121.16 65.52 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.955 0 N-CA-C 107.705 -1.22 . . . . 1.05 107.705 175.495 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 523' ' ' HIS . . . . . . . . . . . . . 50.5 t-80 -106.21 131.44 53.45 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-O 121.167 0.508 . . . . 0.57 110.678 -171.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 524' ' ' ILE . . . . . 0.429 HG12 HG12 ' A' ' 590' ' ' ILE . 26.9 mt -111.09 137.19 44.61 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.96 0 N-CA-C 108.295 -1.002 . . . . 1.06 108.295 177.556 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 525' ' ' CYS . . . . . 0.457 ' SG ' ' HB3' ' A' ' 589' ' ' LEU . 7.5 p -134.4 163.62 29.27 Favored 'General case' 0 C--N 1.313 -1.003 0 C-N-CA 120.491 -0.484 . . . . 1.75 111.781 -175.146 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 526' ' ' ASN . . . . . 0.436 ' HB2' ' O ' ' A' ' 525' ' ' CYS . 80.4 m-20 85.47 29.95 0.05 OUTLIER 'General case' 0 N--CA 1.466 0.352 0 O-C-N 124.889 1.368 . . . . 0.28 110.758 174.775 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 527' ' ' LEU . . . . . . . . . . . . . 80.9 mt -83.77 123.75 75.77 Favored Pre-proline 0 C--N 1.324 -0.542 0 N-CA-C 109.136 -0.69 . . . . 1.04 109.136 178.133 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 528' ' ' PRO . . . . . 0.464 ' HG2' ' HB2' ' A' ' 531' ' ' SER . 19.6 Cg_endo -70.65 133.42 23.9 Favored 'Trans proline' 0 N--CA 1.455 -0.759 0 C-N-CA 121.2 1.266 . . . . 0.5 111.485 179.609 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 529' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -67.84 137.93 55.7 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 108.964 -0.754 . . . . 1.6 108.964 179.76 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 530' ' ' GLY . . . . . . . . . . . . . . . 88.22 4.55 77.53 Favored Glycine 0 N--CA 1.445 -0.746 0 C-N-CA 120.064 -1.065 . . . . 0.52 110.539 -172.059 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 531' ' ' SER . . . . . 0.464 ' HB2' ' HG2' ' A' ' 528' ' ' PRO . 68.9 m -149.24 6.53 0.67 Allowed 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.047 -0.576 . . . . 1.49 109.882 -174.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 532' ' ' CYS . . . . . . . . . . . . . 61.1 m -89.44 84.45 6.42 Favored 'General case' 0 CA--C 1.516 -0.346 0 N-CA-C 109.189 -0.671 . . . . 0.25 109.189 179.505 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 533' ' ' THR . . . . . 0.562 ' O ' HG21 ' A' ' 537' ' ' VAL . 28.8 p -99.53 152.14 20.36 Favored 'General case' 0 N--CA 1.443 -0.784 0 N-CA-C 108.695 -0.854 . . . . 1.1 108.695 -178.879 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 534' ' ' GLU . . . . . 0.527 ' N ' HD11 ' A' ' 552' ' ' LEU . 37.2 mt-10 -66.47 -34.38 77.8 Favored 'General case' 0 C--N 1.319 -0.758 0 N-CA-C 108.793 -0.818 . . . . 1.64 108.793 176.683 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 535' ' ' ASN . . . . . . . . . . . . . 66.0 t30 -63.28 -49.13 75.28 Favored 'General case' 0 C--O 1.214 -0.764 0 CA-C-N 114.553 -1.203 . . . . 1.86 111.202 -176.338 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 536' ' ' ASP . . . . . . . . . . . . . 49.6 m-20 -69.48 -43.03 74.02 Favored 'General case' 0 N--CA 1.474 0.764 0 CA-C-O 121.428 0.632 . . . . 0.61 111.156 -172.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 537' ' ' VAL . . . . . 0.562 HG21 ' O ' ' A' ' 533' ' ' THR . 38.7 t -59.96 -47.7 90.67 Favored 'Isoleucine or valine' 0 C--O 1.242 0.681 0 CA-C-N 114.964 -1.016 . . . . 1.03 109.921 -179.597 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 538' ' ' ILE . . . . . 0.667 HD11 ' CG ' ' A' ' 550' ' ' TYR . 71.5 mt -68.44 -33.44 60.22 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.752 0 CA-C-N 115.129 -0.941 . . . . 1.06 111.501 176.065 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 539' ' ' ASN . . . . . 0.455 ' HA ' HD13 ' A' ' 615' ' ' ILE . 12.2 m120 -58.23 -27.73 64.22 Favored 'General case' 0 CA--C 1.514 -0.438 0 N-CA-C 110.366 -0.235 . . . . 0.25 110.366 177.214 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 540' ' ' LEU . . . . . 0.461 HD12 HD12 ' A' ' 588' ' ' LEU . 84.7 mt -75.86 -41.08 53.31 Favored 'General case' 0 C--N 1.324 -0.514 0 C-N-CA 120.622 -0.431 . . . . 1.11 110.351 173.765 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 541' ' ' GLY . . . . . 0.44 ' HA2' ' SD ' ' A' ' 572' ' ' MET . . . -64.96 -52.4 42.26 Favored Glycine 0 CA--C 1.523 0.565 0 N-CA-C 115.44 0.936 . . . . 0.19 115.44 -179.751 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 542' ' ' LEU . . . . . 0.473 ' HB2' ' CD1' ' A' ' 615' ' ' ILE . 62.8 mt -56.63 -46.34 99.84 Favored Pre-proline 0 C--N 1.322 -0.606 0 N-CA-C 114.999 1.481 . . . . 1.06 114.999 -168.428 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 543' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -57.87 -26.6 74.88 Favored 'Trans proline' 0 C--N 1.35 0.612 0 C-N-CA 122.138 1.892 . . . . 0.25 113.984 -175.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 544' ' ' PHE . . . . . 0.466 ' HB2' ' HE2' ' A' ' 572' ' ' MET . 97.0 m-85 -100.01 -16.46 17.91 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-O 120.835 0.35 . . . . 0.38 111.174 178.931 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 545' ' ' GLY . . . . . 0.43 ' O ' ' HA ' ' A' ' 542' ' ' LEU . . . 178.31 154.53 12.72 Favored Glycine 0 N--CA 1.447 -0.579 0 C-N-CA 120.765 -0.731 . . . . 0.44 112.057 179.79 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 546' ' ' LYS . . . . . . . . . . . . . 40.3 ttmt -66.42 131.34 45.85 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 121.04 0.448 . . . . 2.62 111.17 -177.191 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 547' ' ' VAL . . . . . 0.526 ' HB ' HG13 ' A' ' 608' ' ' VAL . 69.1 t -89.56 115.32 28.97 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-N 115.719 -0.673 . . . . 1.05 110.448 177.53 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 548' ' ' THR . . . . . . . . . . . . . 25.8 p -93.44 -35.23 13.09 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.252 -0.431 . . . . 1.11 111.251 -179.851 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 549' ' ' ASN . . . . . . . . . . . . . 91.9 m-20 -142.51 160.05 41.05 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.128 -0.487 . . . . 1.49 110.642 178.643 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 550' ' ' TYR . . . . . 0.667 ' CG ' HD11 ' A' ' 538' ' ' ILE . 4.8 p90 -161.13 151.46 17.74 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.637 -0.71 . . . . 0.96 109.228 -178.595 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 551' ' ' ILE . . . . . 0.542 ' HB ' ' HB2' ' A' ' 560' ' ' PHE . 62.5 mt -145.5 126.91 8.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 N-CA-C 108.365 -0.976 . . . . 1.1 108.365 -177.027 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 552' ' ' LEU . . . . . 0.527 HD11 ' N ' ' A' ' 534' ' ' GLU . 22.2 mt -106.26 124.85 50.23 Favored 'General case' 0 C--N 1.315 -0.903 0 C-N-CA 120.006 -0.678 . . . . 1.17 110.923 -178.39 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 553' ' ' MET . . . . . . . . . . . . . 42.7 mtp -108.37 80.28 1.34 Allowed 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 108.82 -0.807 . . . . 1.55 108.82 -179.332 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 554' ' ' LYS . . . . . . . . . . . . . 26.3 mmtp -54.03 -29.49 43.89 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 114.478 -1.237 . . . . 1.63 113.011 175.776 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 555' ' ' SER . . . . . . . . . . . . . 65.7 p -69.33 -44.63 71.27 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 120.729 0.3 . . . . 0.7 111.699 -173.37 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 556' ' ' THR . . . . . . . . . . . . . 41.1 p -102.2 7.5 40.84 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 112.753 0.649 . . . . 1.14 112.753 -175.283 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 557' ' ' ASN . . . . . . . . . . . . . 19.1 m120 60.46 39.91 17.79 Favored 'General case' 0 N--CA 1.471 0.596 0 CA-C-O 121.663 0.745 . . . . 2.03 110.29 -176.316 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 558' ' ' GLN . . . . . . . . . . . . . 77.4 mt-30 -135.61 168.4 19.33 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.028 -0.987 . . . . 1.24 109.647 -174.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 559' ' ' ALA . . . . . . . . . . . . . . . -158.95 165.59 33.76 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.093 0.473 . . . . 1.04 111.547 176.467 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 560' ' ' PHE . . . . . 0.542 ' HB2' ' HB ' ' A' ' 551' ' ' ILE . 85.0 m-85 -119.46 145.09 46.59 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.95 -0.568 . . . . 0.46 110.142 176.075 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 561' ' ' LEU . . . . . 0.549 ' O ' ' HB ' ' A' ' 522' ' ' VAL . 54.0 tp -135.05 119.4 17.85 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.721 -0.672 . . . . 1.06 110.05 -179.409 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 562' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -101.08 136.11 41.45 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.283 0.563 . . . . 2.09 109.842 177.501 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 563' ' ' MET . . . . . 0.595 ' SD ' ' HA ' ' A' ' 569' ' ' ALA . 40.5 mtt -120.77 164.95 15.82 Favored 'General case' 0 C--N 1.317 -0.84 0 CA-C-N 115.263 -0.88 . . . . 1.06 110.03 -170.329 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 564' ' ' ALA . . . . . . . . . . . . . . . -59.1 -43.34 91.85 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 120.834 0.349 . . . . 1.25 111.94 -175.631 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 565' ' ' TYR . . . . . . . . . . . . . 96.9 m-85 -144.37 162.72 35.76 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.245 -0.434 . . . . 1.39 110.993 -177.032 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 566' ' ' THR . . . . . . . . . . . . . 13.3 t -62.6 -27.15 69.0 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.675 -0.693 . . . . 1.24 110.836 179.342 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 567' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -61.33 -32.28 72.15 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.945 -0.57 . . . . 0.89 110.807 176.636 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 568' ' ' ALA . . . . . 0.666 ' O ' ' HG3' ' A' ' 572' ' ' MET . . . -72.56 -41.47 65.7 Favored 'General case' 0 N--CA 1.448 -0.531 0 N-CA-C 109.402 -0.592 . . . . 1.08 109.402 -179.463 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 569' ' ' ALA . . . . . 0.595 ' HA ' ' SD ' ' A' ' 563' ' ' MET . . . -64.15 -45.76 87.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.77 -0.65 . . . . 1.0 111.083 -178.448 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 570' ' ' GLN . . . . . . . . . . . . . 14.0 pt20 -64.8 -35.99 82.87 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.257 -0.429 . . . . 1.72 110.62 -177.039 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 571' ' ' ALA . . . . . . . . . . . . . . . -67.5 -45.16 76.65 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.242 -0.435 . . . . 1.08 111.021 179.539 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 572' ' ' MET . . . . . 0.666 ' HG3' ' O ' ' A' ' 568' ' ' ALA . 25.4 mtt -69.27 -44.22 72.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 1.05 110.849 -178.246 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 573' ' ' VAL . . . . . 0.59 ' O ' ' HG3' ' A' ' 577' ' ' GLN . 75.1 t -59.01 -46.71 91.52 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.263 0 CA-C-N 116.796 -0.183 . . . . 1.08 110.555 -178.524 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 574' ' ' GLN . . . . . . . . . . . . . 48.7 mt-30 -62.21 -37.39 85.16 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.853 0.359 . . . . 2.79 110.902 178.288 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 575' ' ' TYR . . . . . . . . . . . . . 92.9 t80 -68.27 -53.2 26.14 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.041 -0.527 . . . . 1.09 110.858 -176.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 576' ' ' TYR . . . . . 0.541 ' CD2' HD11 ' A' ' 590' ' ' ILE . 94.4 m-85 -76.41 -13.3 60.13 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 113.055 0.761 . . . . 1.03 113.055 -174.567 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 577' ' ' GLN . . . . . 0.59 ' HG3' ' O ' ' A' ' 573' ' ' VAL . 43.7 mt-30 -71.05 -43.21 68.3 Favored 'General case' 0 C--N 1.327 -0.387 0 C-N-CA 120.229 -0.588 . . . . 2.14 110.168 173.367 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 578' ' ' GLU . . . . . . . . . . . . . 32.8 mt-10 -91.86 -37.13 13.1 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.066 -0.515 . . . . 2.14 111.346 -179.615 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 579' ' ' LYS . . . . . . . . . . . . . 93.4 mttt -124.39 82.45 58.19 Favored Pre-proline 0 C--N 1.325 -0.499 0 N-CA-C 109.594 -0.521 . . . . 2.95 109.594 176.332 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 580' ' ' PRO . . . . . . . . . . . . . 37.0 Cg_endo -65.94 160.32 44.77 Favored 'Trans proline' 0 C--O 1.232 0.224 0 C-N-CA 122.577 2.185 . . . . 0.51 112.464 -177.859 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 581' ' ' ALA . . . . . . . . . . . . . . . -91.59 139.04 31.08 Favored 'General case' 0 CA--C 1.513 -0.472 0 CA-C-N 116.268 -0.424 . . . . 1.09 110.058 -179.462 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 582' ' ' ILE . . . . . . . . . . . . . 26.3 mt -104.48 118.87 52.47 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 CA-C-O 120.973 0.416 . . . . 1.19 111.014 -176.672 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 583' ' ' ILE . . . . . . . . . . . . . 29.3 mm -121.14 111.16 30.37 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 115.921 -0.582 . . . . 1.21 109.589 172.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 584' ' ' ASN . . . . . . . . . . . . . 96.3 m-20 50.8 44.01 28.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.553 0.692 . . . . 1.34 110.559 179.47 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 585' ' ' GLY . . . . . . . . . . . . . . . 85.56 -3.6 86.92 Favored Glycine 0 N--CA 1.449 -0.48 0 CA-C-N 114.696 -1.138 . . . . 0.51 114.669 176.649 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 586' ' ' GLU . . . . . . . . . . . . . 74.1 mm-40 -100.46 126.24 46.85 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 117.939 0.869 . . . . 1.79 111.31 -179.337 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 587' ' ' LYS . . . . . . . . . . . . . 42.5 mmtm -75.96 119.72 20.3 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.419 -0.809 . . . . 2.25 110.531 174.231 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 588' ' ' LEU . . . . . 0.461 HD12 HD12 ' A' ' 540' ' ' LEU . 42.5 mt -91.05 137.61 32.23 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 116.192 -0.458 . . . . 1.03 110.887 -179.858 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 589' ' ' LEU . . . . . 0.457 ' HB3' ' SG ' ' A' ' 525' ' ' CYS . 43.5 tp -114.69 121.9 44.79 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.803 -0.635 . . . . 1.13 110.532 179.793 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 590' ' ' ILE . . . . . 0.541 HD11 ' CD2' ' A' ' 576' ' ' TYR . 24.5 mt -106.49 122.6 60.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 116.584 -0.28 . . . . 1.08 110.276 177.267 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 591' ' ' ARG . . . . . . . . . . . . . 49.4 mtp180 -147.47 166.63 26.67 Favored 'General case' 0 N--CA 1.465 0.279 0 C-N-CA 122.569 0.348 . . . . 3.18 110.21 -177.564 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 592' ' ' MET . . . . . . . . . . . . . 63.7 mtt -81.37 150.96 28.19 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.614 0.245 . . . . 1.13 110.366 -178.307 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 593' ' ' SER . . . . . . . . . . . . . 36.2 t -86.18 136.48 33.18 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.326 0.584 . . . . 1.65 111.442 -178.229 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 594' ' ' THR . . . . . . . . . . . . . 19.2 p -90.09 -20.04 23.63 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 114.777 -1.101 . . . . 1.14 111.685 179.084 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 595' ' ' ARG . . . . . . . . . . . . . 68.6 mtp180 -103.52 -30.02 10.78 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 112.633 0.605 . . . . 3.37 112.633 -171.487 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 596' ' ' TYR . . . . . . . . . . . . . 85.6 m-85 -116.02 141.62 47.88 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.167 0.508 . . . . 1.15 111.911 -175.206 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 597' ' ' LYS . . . . . 0.49 ' N ' ' HD2' ' A' ' 597' ' ' LYS . 0.1 OUTLIER -109.45 -12.95 14.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.496 -0.775 . . . . 2.63 111.409 177.971 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 598' ' ' GLU . . . . . . . . . . . . . 40.8 tt0 -143.63 150.91 39.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.129 0.49 . . . . 0.95 111.356 -179.779 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 599' ' ' LEU . . . . . 0.48 HD23 HG12 ' A' ' 521' ' ' VAL . 78.9 mt -119.83 121.58 39.42 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.315 -0.857 . . . . 1.18 110.303 174.239 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 600' ' ' GLN . . . . . . . . . . . . . 15.6 pt20 -113.85 136.57 52.72 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 109.522 -0.547 . . . . 1.65 109.522 174.189 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 601' ' ' LEU . . . . . . . . . . . . . 73.7 mt -80.34 99.08 7.73 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 116.229 -0.441 . . . . 1.23 110.976 -176.537 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 602' ' ' LYS . . . . . . . . . . . . . 54.2 mtmt -86.42 -10.89 53.35 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.904 -0.589 . . . . 2.22 110.198 175.804 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 603' ' ' LYS . . . . . . . . . . . . . 33.7 mmtp . . . . . 0 C--N 1.323 -0.551 0 CA-C-N 115.821 -0.627 . . . . 2.26 109.331 175.578 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 607' ' ' ASN . . . . . . . . . . . . . 26.9 t-20 . . . . . 0 C--O 1.233 0.225 0 CA-C-O 121.21 0.529 . . . . 1.8 110.916 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 608' ' ' VAL . . . . . 0.526 HG13 ' HB ' ' A' ' 547' ' ' VAL . 76.0 t -81.66 -23.2 10.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-N 115.513 -0.767 . . . . 1.07 111.511 -174.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 609' ' ' ALA . . . . . . . . . . . . . . . -62.58 -34.22 76.53 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.324 0.583 . . . . 1.27 110.224 174.479 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 610' ' ' ALA . . . . . . . . . . . . . . . -65.42 -27.58 68.64 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.761 -0.654 . . . . 1.14 110.186 175.207 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 611' ' ' ILE . . . . . 0.41 ' HB ' ' O ' ' A' ' 608' ' ' VAL . 71.7 mt -71.39 -31.41 43.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 115.755 -0.657 . . . . 1.03 109.671 177.091 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 612' ' ' ILE . . . . . 0.435 ' O ' ' HD2' ' A' ' 616' ' ' HIS . 63.1 mt -60.74 -43.74 95.82 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.22 0 CA-C-O 121.172 0.511 . . . . 1.11 109.69 173.424 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 613' ' ' GLN . . . . . . . . . . . . . 26.4 mm-40 -64.57 -30.59 71.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.721 0.772 . . . . 3.02 109.454 178.433 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 614' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -66.99 -42.17 85.52 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 114.597 -1.183 . . . . 1.95 109.726 179.72 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 615' ' ' ILE . . . . . 0.473 ' CD1' ' HB2' ' A' ' 542' ' ' LEU . 79.3 mt -65.1 -38.78 83.58 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 115.987 -0.551 . . . . 1.08 110.924 178.771 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 616' ' ' HIS . . . . . 0.435 ' HD2' ' O ' ' A' ' 612' ' ' ILE . 53.2 m-70 -64.51 -28.1 69.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.934 0.397 . . . . 1.73 110.494 177.352 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 617' ' ' SER . . . . . . . . . . . . . 18.4 m . . . . . 0 C--N 1.328 -0.359 0 CA-C-N 116.076 -0.511 . . . . 1.77 110.35 174.961 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 520' ' ' ARG . . . . . . . . . . . . . 19.3 mtm-85 . . . . . 0 N--CA 1.452 -0.346 0 CA-C-O 121.098 0.475 . . . . 2.86 111.077 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 521' ' ' VAL . . . . . 0.456 HG11 HD23 ' A' ' 599' ' ' LEU . 87.4 t -118.58 120.08 63.12 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 CA-C-N 115.404 -0.816 . . . . 1.14 109.892 165.254 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 522' ' ' VAL . . . . . 0.632 ' HB ' ' O ' ' A' ' 561' ' ' LEU . 25.6 t -121.11 120.85 63.35 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.963 0 N-CA-C 108.034 -1.099 . . . . 1.05 108.034 176.395 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 523' ' ' HIS . . . . . . . . . . . . . 59.1 t-80 -106.03 133.82 50.13 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 121.116 0.484 . . . . 0.57 110.446 -176.038 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 524' ' ' ILE . . . . . . . . . . . . . 31.3 mt -111.37 137.25 44.71 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.914 0 N-CA-C 108.489 -0.93 . . . . 1.06 108.489 176.638 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 525' ' ' CYS . . . . . 0.498 ' SG ' ' HB3' ' A' ' 589' ' ' LEU . 5.1 p -134.88 163.1 30.59 Favored 'General case' 0 C--N 1.314 -0.949 0 C-N-CA 120.475 -0.49 . . . . 1.75 111.664 -173.87 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 526' ' ' ASN . . . . . 0.472 ' HB2' ' O ' ' A' ' 525' ' ' CYS . 89.6 m-20 86.05 27.94 0.05 OUTLIER 'General case' 0 N--CA 1.469 0.487 0 O-C-N 124.917 1.385 . . . . 0.28 110.574 176.127 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 527' ' ' LEU . . . . . 0.461 ' O ' ' HB3' ' A' ' 557' ' ' ASN . 82.5 mt -84.11 124.3 74.43 Favored Pre-proline 0 C--N 1.325 -0.494 0 CA-C-N 115.549 -0.75 . . . . 1.04 109.066 177.663 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 528' ' ' PRO . . . . . . . . . . . . . 14.2 Cg_exo -68.55 136.18 35.64 Favored 'Trans proline' 0 N--CA 1.46 -0.47 0 C-N-CA 121.798 1.665 . . . . 0.5 112.023 -178.118 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 529' ' ' GLU . . . . . . . . . . . . . 47.6 tt0 -64.43 133.53 52.71 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.449 -0.796 . . . . 1.6 109.779 177.527 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 530' ' ' GLY . . . . . . . . . . . . . . . 86.77 5.26 81.6 Favored Glycine 0 N--CA 1.445 -0.703 0 C-N-CA 119.865 -1.159 . . . . 0.52 111.27 -173.88 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 531' ' ' SER . . . . . . . . . . . . . 50.1 m -148.03 11.57 0.94 Allowed 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.332 0.586 . . . . 1.49 110.189 -175.211 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 532' ' ' CYS . . . . . . . . . . . . . 63.1 m -89.85 88.25 7.27 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 109.109 -0.7 . . . . 0.25 109.109 177.515 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 533' ' ' THR . . . . . 0.503 ' O ' HG23 ' A' ' 537' ' ' VAL . 29.3 p -102.15 151.92 21.62 Favored 'General case' 0 C--N 1.322 -0.627 0 C-N-CA 119.908 -0.717 . . . . 1.1 109.225 -178.611 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 534' ' ' GLU . . . . . 0.535 ' N ' HD11 ' A' ' 552' ' ' LEU . 83.7 mt-10 -65.93 -34.35 77.93 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 108.984 -0.747 . . . . 1.64 108.984 176.681 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 535' ' ' ASN . . . . . . . . . . . . . 5.6 m-20 -62.83 -48.84 77.34 Favored 'General case' 0 C--O 1.214 -0.81 0 CA-C-N 114.703 -1.135 . . . . 1.86 111.523 -177.111 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 536' ' ' ASP . . . . . . . . . . . . . 51.4 m-20 -69.83 -44.86 69.08 Favored 'General case' 0 N--CA 1.473 0.676 0 CA-C-O 121.34 0.59 . . . . 0.61 111.266 -172.833 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 537' ' ' VAL . . . . . 0.503 HG23 ' O ' ' A' ' 533' ' ' THR . 36.3 t -60.33 -48.14 89.47 Favored 'Isoleucine or valine' 0 C--O 1.242 0.678 0 CA-C-N 114.989 -1.005 . . . . 1.03 110.028 -178.775 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 538' ' ' ILE . . . . . 0.656 HD13 ' CG ' ' A' ' 550' ' ' TYR . 65.0 mt -68.31 -33.46 60.63 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.789 0 CA-C-N 115.207 -0.906 . . . . 1.06 111.329 176.262 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 539' ' ' ASN . . . . . . . . . . . . . 8.8 m120 -58.48 -26.55 63.53 Favored 'General case' 0 CA--C 1.515 -0.401 0 N-CA-C 110.595 -0.15 . . . . 0.25 110.595 176.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 540' ' ' LEU . . . . . . . . . . . . . 83.4 mt -75.62 -42.55 51.43 Favored 'General case' 0 C--N 1.324 -0.529 0 C-N-CA 120.45 -0.5 . . . . 1.11 109.762 173.005 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 541' ' ' GLY . . . . . 0.503 ' HA2' ' SD ' ' A' ' 572' ' ' MET . . . -65.16 -52.5 40.51 Favored Glycine 0 CA--C 1.523 0.558 0 N-CA-C 115.483 0.953 . . . . 0.19 115.483 -178.779 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 542' ' ' LEU . . . . . 0.467 ' HB2' ' CD1' ' A' ' 615' ' ' ILE . 45.5 mt -56.25 -47.25 99.24 Favored Pre-proline 0 C--N 1.321 -0.649 0 N-CA-C 114.931 1.456 . . . . 1.06 114.931 -168.444 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 543' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_exo -59.85 -26.31 81.93 Favored 'Trans proline' 0 C--N 1.348 0.549 0 C-N-CA 122.096 1.864 . . . . 0.25 113.609 -177.114 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 544' ' ' PHE . . . . . 0.441 ' HB2' ' HE1' ' A' ' 572' ' ' MET . 96.6 m-85 -97.92 -15.09 20.3 Favored 'General case' 0 C--N 1.332 -0.192 0 O-C-N 122.207 -0.308 . . . . 0.38 111.321 177.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 545' ' ' GLY . . . . . 0.43 ' O ' ' HA ' ' A' ' 542' ' ' LEU . . . 176.21 151.57 8.93 Favored Glycine 0 N--CA 1.449 -0.446 0 C-N-CA 120.793 -0.718 . . . . 0.44 112.039 -178.751 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 546' ' ' LYS . . . . . . . . . . . . . 38.3 ttpt -66.24 128.89 37.9 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 120.962 0.41 . . . . 2.62 110.852 -177.138 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 547' ' ' VAL . . . . . 0.512 ' HB ' HG13 ' A' ' 608' ' ' VAL . 70.3 t -86.94 115.25 27.44 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 CA-C-N 115.73 -0.668 . . . . 1.05 110.359 178.352 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 548' ' ' THR . . . . . . . . . . . . . 24.2 p -94.73 -34.6 12.47 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 116.075 -0.511 . . . . 1.11 111.427 -179.619 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 549' ' ' ASN . . . . . 0.452 ' HB2' ' CB ' ' A' ' 562' ' ' GLU . 17.7 m120 -143.5 156.51 44.64 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.069 -0.514 . . . . 1.49 110.183 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 550' ' ' TYR . . . . . 0.656 ' CG ' HD13 ' A' ' 538' ' ' ILE . 7.1 p90 -160.79 152.78 19.97 Favored 'General case' 0 C--N 1.319 -0.729 0 N-CA-C 109.559 -0.534 . . . . 0.96 109.559 -178.927 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 551' ' ' ILE . . . . . 0.529 ' HB ' ' HB2' ' A' ' 560' ' ' PHE . 70.7 mt -143.77 124.99 10.3 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 N-CA-C 108.336 -0.987 . . . . 1.1 108.336 -176.684 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 552' ' ' LEU . . . . . 0.535 HD11 ' N ' ' A' ' 534' ' ' GLU . 22.2 mt -106.7 125.65 51.27 Favored 'General case' 0 C--N 1.313 -0.98 0 C-N-CA 119.76 -0.776 . . . . 1.17 110.179 179.439 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 553' ' ' MET . . . . . . . . . . . . . 34.0 mtp -107.96 79.68 1.3 Allowed 'General case' 0 C--N 1.316 -0.88 0 N-CA-C 108.185 -1.043 . . . . 1.55 108.185 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 554' ' ' LYS . . . . . . . . . . . . . 23.9 mmtp -54.45 -29.87 50.97 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 114.828 -1.078 . . . . 1.63 112.712 176.52 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 555' ' ' SER . . . . . . . . . . . . . 64.1 p -68.94 -41.97 77.36 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 120.665 0.269 . . . . 0.7 111.55 -173.679 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 556' ' ' THR . . . . . . . . . . . . . 42.5 p -103.42 6.8 37.91 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 112.048 0.388 . . . . 1.14 112.048 -176.66 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 557' ' ' ASN . . . . . 0.461 ' HB3' ' O ' ' A' ' 527' ' ' LEU . 2.5 m-20 59.01 39.31 23.63 Favored 'General case' 0 N--CA 1.467 0.408 0 CA-C-O 121.767 0.794 . . . . 2.03 110.021 -176.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 558' ' ' GLN . . . . . . . . . . . . . 63.9 mt-30 -132.48 167.91 19.12 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 114.985 -1.007 . . . . 1.24 109.304 -176.272 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 559' ' ' ALA . . . . . . . . . . . . . . . -158.84 165.18 34.82 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.154 0.502 . . . . 1.04 111.804 176.476 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 560' ' ' PHE . . . . . 0.529 ' HB2' ' HB ' ' A' ' 551' ' ' ILE . 91.8 m-85 -120.34 150.05 41.35 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.753 -0.658 . . . . 0.46 110.485 174.474 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 561' ' ' LEU . . . . . 0.632 ' O ' ' HB ' ' A' ' 522' ' ' VAL . 56.0 tp -137.42 118.78 14.68 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.752 -0.658 . . . . 1.06 110.055 -179.467 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 562' ' ' GLU . . . . . 0.452 ' CB ' ' HB2' ' A' ' 549' ' ' ASN . 0.0 OUTLIER -102.83 136.78 42.02 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.383 0.611 . . . . 2.09 110.276 177.801 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 563' ' ' MET . . . . . 0.588 ' SD ' ' HA ' ' A' ' 569' ' ' ALA . 33.1 mtt -121.07 164.76 16.31 Favored 'General case' 0 C--N 1.313 -0.984 0 CA-C-N 115.211 -0.904 . . . . 1.06 109.895 -170.408 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 564' ' ' ALA . . . . . . . . . . . . . . . -59.61 -44.31 93.46 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 117.947 0.34 . . . . 1.25 111.844 -175.565 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 565' ' ' TYR . . . . . . . . . . . . . 75.2 m-85 -142.59 162.63 34.96 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.004 0.431 . . . . 1.39 111.673 -178.73 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 566' ' ' THR . . . . . . . . . . . . . 9.8 t -60.09 -27.61 67.14 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.446 -0.797 . . . . 1.24 111.407 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 567' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -60.49 -32.65 71.63 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-N 116.172 -0.467 . . . . 0.89 111.071 179.348 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 568' ' ' ALA . . . . . 0.658 ' O ' ' HG3' ' A' ' 572' ' ' MET . . . -73.56 -42.54 61.52 Favored 'General case' 0 N--CA 1.451 -0.383 0 CA-C-N 115.96 -0.564 . . . . 1.08 109.879 179.71 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 569' ' ' ALA . . . . . 0.588 ' HA ' ' SD ' ' A' ' 563' ' ' MET . . . -63.2 -45.18 92.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.959 -0.564 . . . . 1.0 111.182 -176.743 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 570' ' ' GLN . . . . . . . . . . . . . 17.2 pt20 -67.29 -36.21 81.06 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.268 -0.424 . . . . 1.72 110.424 -178.578 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 571' ' ' ALA . . . . . . . . . . . . . . . -65.03 -45.5 85.2 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.272 -0.422 . . . . 1.08 110.85 178.292 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 572' ' ' MET . . . . . 0.658 ' HG3' ' O ' ' A' ' 568' ' ' ALA . 28.4 mtt -69.39 -45.75 68.52 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.365 -0.379 . . . . 1.05 110.961 -178.018 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 573' ' ' VAL . . . . . 0.579 ' O ' ' HG3' ' A' ' 577' ' ' GLN . 75.1 t -59.49 -46.46 92.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 N-CA-C 110.488 -0.19 . . . . 1.08 110.488 -178.404 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 574' ' ' GLN . . . . . . . . . . . . . 16.3 mm100 -62.02 -38.88 90.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.772 0.32 . . . . 2.79 110.89 177.809 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 575' ' ' TYR . . . . . . . . . . . . . 78.1 t80 -68.73 -52.32 31.91 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.026 -0.534 . . . . 1.09 110.75 -176.799 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 576' ' ' TYR . . . . . 0.476 ' CD2' HD12 ' A' ' 590' ' ' ILE . 83.6 m-85 -74.75 -13.13 60.56 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 112.91 0.708 . . . . 1.03 112.91 -176.27 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 577' ' ' GLN . . . . . 0.579 ' HG3' ' O ' ' A' ' 573' ' ' VAL . 43.0 mt-30 -71.7 -42.3 67.57 Favored 'General case' 0 C--N 1.325 -0.47 0 C-N-CA 120.227 -0.589 . . . . 2.14 109.596 171.132 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 578' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -86.12 -37.97 18.23 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.148 -0.478 . . . . 2.14 111.204 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 579' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -130.11 84.97 58.64 Favored Pre-proline 0 C--N 1.327 -0.412 0 CA-C-N 116.486 -0.324 . . . . 2.95 110.174 177.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 580' ' ' PRO . . . . . . . . . . . . . 39.5 Cg_endo -66.32 160.6 44.53 Favored 'Trans proline' 0 C--O 1.231 0.133 0 C-N-CA 122.843 2.362 . . . . 0.51 112.307 -178.647 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 581' ' ' ALA . . . . . . . . . . . . . . . -91.35 135.21 33.98 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 109.761 -0.459 . . . . 1.09 109.761 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 582' ' ' ILE . . . . . . . . . . . . . 23.7 mt -100.34 119.65 48.72 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.939 0 CA-C-N 116.529 -0.305 . . . . 1.19 111.094 -174.668 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 583' ' ' ILE . . . . . . . . . . . . . 31.4 mm -126.53 113.19 32.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 N-CA-C 109.235 -0.654 . . . . 1.21 109.235 173.78 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 584' ' ' ASN . . . . . . . . . . . . . 94.4 m-20 59.27 33.01 22.39 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-O 121.242 0.544 . . . . 1.34 110.296 -177.295 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 585' ' ' GLY . . . . . . . . . . . . . . . 81.37 5.57 89.9 Favored Glycine 0 N--CA 1.445 -0.702 0 CA-C-N 115.556 -0.747 . . . . 0.51 112.98 179.341 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 586' ' ' GLU . . . . . . . . . . . . . 9.1 mm-40 -101.1 125.84 47.75 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.773 0.287 . . . . 1.79 110.531 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 587' ' ' LYS . . . . . . . . . . . . . 33.6 mmtp -76.34 115.87 16.49 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.854 -0.612 . . . . 2.25 110.957 177.657 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 588' ' ' LEU . . . . . . . . . . . . . 50.2 mt -80.6 135.83 36.13 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.167 -0.469 . . . . 1.03 110.719 179.106 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 589' ' ' LEU . . . . . 0.498 ' HB3' ' SG ' ' A' ' 525' ' ' CYS . 53.0 tp -113.6 118.6 34.86 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.764 -0.653 . . . . 1.13 110.494 -179.646 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 590' ' ' ILE . . . . . 0.476 HD12 ' CD2' ' A' ' 576' ' ' TYR . 18.6 mt -100.19 128.59 52.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 N-CA-C 109.778 -0.453 . . . . 1.08 109.778 175.879 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 591' ' ' ARG . . . . . . . . . . . . . 18.2 mmm180 -142.97 153.0 42.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.507 -0.315 . . . . 3.18 110.826 -173.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 592' ' ' MET . . . . . . . . . . . . . 58.8 mtt -83.14 132.05 35.11 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 109.855 -0.424 . . . . 1.13 109.855 175.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 593' ' ' SER . . . . . . . . . . . . . 49.9 m -77.69 137.11 38.33 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 121.538 0.685 . . . . 1.65 112.4 -176.099 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 594' ' ' THR . . . . . . . . . . . . . 21.1 p -91.82 -14.58 29.55 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 114.495 -1.229 . . . . 1.14 111.832 179.78 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 595' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -101.38 -27.88 12.9 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 112.265 0.469 . . . . 3.37 112.265 -169.371 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 596' ' ' TYR . . . . . 0.416 ' CB ' HG23 ' A' ' 521' ' ' VAL . 77.0 m-85 -120.44 155.4 33.58 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 121.23 0.538 . . . . 1.15 111.665 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 597' ' ' LYS . . . . . . . . . . . . . 15.4 mtmt -108.09 -28.45 9.52 Favored 'General case' 0 C--O 1.22 -0.492 0 CA-C-N 114.988 -1.005 . . . . 2.63 110.904 -178.46 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 598' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -142.39 149.29 39.16 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 120.986 0.422 . . . . 0.95 110.77 -176.084 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 599' ' ' LEU . . . . . 0.456 HD23 HG11 ' A' ' 521' ' ' VAL . 48.8 mt -100.74 126.63 47.31 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.715 -0.675 . . . . 1.18 110.917 177.551 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 600' ' ' GLN . . . . . . . . . . . . . 13.8 pt20 -113.52 138.36 50.24 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.927 -0.579 . . . . 1.65 109.76 177.063 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 601' ' ' LEU . . . . . . . . . . . . . 65.6 mt -86.28 89.31 7.82 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 120.709 0.29 . . . . 1.23 111.201 -177.729 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 602' ' ' LYS . . . . . . . . . . . . . 14.5 mmmm -66.52 -27.23 67.6 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.599 0.714 . . . . 2.22 109.178 171.223 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 603' ' ' LYS . . . . . . . . . . . . . 34.6 mmtp . . . . . 0 C--N 1.324 -0.515 0 CA-C-N 115.06 -0.973 . . . . 2.26 108.867 173.908 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 607' ' ' ASN . . . . . . . . . . . . . 26.3 t-20 . . . . . 0 N--CA 1.456 -0.169 0 CA-C-O 121.128 0.49 . . . . 1.8 110.895 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 608' ' ' VAL . . . . . 0.512 HG13 ' HB ' ' A' ' 547' ' ' VAL . 68.8 t -87.11 -16.74 9.12 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-N 115.719 -0.673 . . . . 1.07 111.084 -175.27 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 609' ' ' ALA . . . . . . . . . . . . . . . -64.17 -34.64 78.53 Favored 'General case' 0 C--O 1.236 0.372 0 CA-C-O 121.264 0.554 . . . . 1.27 110.856 176.382 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 610' ' ' ALA . . . . . . . . . . . . . . . -63.92 -28.56 69.91 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.993 -0.549 . . . . 1.14 110.109 176.254 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 611' ' ' ILE . . . . . 0.412 ' HA ' ' OD1' ' A' ' 614' ' ' ASP . 77.0 mt -70.85 -30.89 43.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 115.766 -0.652 . . . . 1.03 109.642 178.765 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 612' ' ' ILE . . . . . 0.406 ' CG1' HD12 ' A' ' 542' ' ' LEU . 67.1 mt -60.28 -41.89 88.63 Favored 'Isoleucine or valine' 0 C--O 1.235 0.29 0 CA-C-O 121.301 0.572 . . . . 1.11 109.706 172.358 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 613' ' ' GLN . . . . . . . . . . . . . 30.6 mm-40 -64.38 -30.36 71.4 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.517 -0.765 . . . . 3.02 110.428 177.286 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 614' ' ' ASP . . . . . 0.412 ' OD1' ' HA ' ' A' ' 611' ' ' ILE . 37.3 m-20 -66.53 -42.98 86.39 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.808 -0.633 . . . . 1.95 110.359 177.608 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 615' ' ' ILE . . . . . 0.467 ' CD1' ' HB2' ' A' ' 542' ' ' LEU . 84.5 mt -63.39 -46.57 95.02 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.186 0 CA-C-O 121.233 0.54 . . . . 1.08 110.736 179.051 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 616' ' ' HIS . . . . . . . . . . . . . 48.5 m170 -63.23 -35.28 79.8 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.355 -0.839 . . . . 1.73 110.845 -178.491 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 617' ' ' SER . . . . . . . . . . . . . 38.7 m . . . . . 0 C--N 1.326 -0.422 0 CA-C-N 116.406 -0.361 . . . . 1.77 111.038 177.69 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 520' ' ' ARG . . . . . . . . . . . . . 16.5 mtm-85 . . . . . 0 N--CA 1.449 -0.481 0 CA-C-O 121.47 0.652 . . . . 2.86 111.9 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 521' ' ' VAL . . . . . 0.464 HG12 HD23 ' A' ' 599' ' ' LEU . 97.6 t -117.53 120.71 65.64 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.71 0 CA-C-N 114.888 -1.051 . . . . 1.14 109.778 170.134 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 522' ' ' VAL . . . . . 0.446 ' HB ' ' O ' ' A' ' 561' ' ' LEU . 24.5 t -120.86 122.31 67.47 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.933 0 N-CA-C 108.414 -0.958 . . . . 1.05 108.414 179.268 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 523' ' ' HIS . . . . . . . . . . . . . 56.1 t-80 -105.31 131.21 53.04 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 121.183 0.516 . . . . 0.57 110.532 -175.497 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 524' ' ' ILE . . . . . 0.425 HG12 HG12 ' A' ' 590' ' ' ILE . 31.3 mt -111.4 138.85 38.17 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.908 0 CA-C-N 115.138 -0.937 . . . . 1.06 108.509 178.519 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 525' ' ' CYS . . . . . 0.495 ' SG ' ' HB3' ' A' ' 589' ' ' LEU . 1.6 p -140.73 164.78 29.28 Favored 'General case' 0 C--N 1.313 -1.013 0 C-N-CA 120.458 -0.497 . . . . 1.75 111.608 -175.923 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 526' ' ' ASN . . . . . 0.428 ' HB2' ' O ' ' A' ' 525' ' ' CYS . 77.8 m-20 86.46 27.24 0.05 OUTLIER 'General case' 0 N--CA 1.469 0.516 0 O-C-N 125.0 1.437 . . . . 0.28 110.11 176.791 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 527' ' ' LEU . . . . . 0.425 ' HB3' ' SG ' ' A' ' 532' ' ' CYS . 80.6 mt -87.21 123.83 69.34 Favored Pre-proline 0 C--N 1.324 -0.509 0 CA-C-N 115.258 -0.883 . . . . 1.04 108.794 178.373 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 528' ' ' PRO . . . . . . . . . . . . . 9.4 Cg_exo -72.04 135.35 25.08 Favored 'Trans proline' 0 N--CA 1.461 -0.393 0 C-N-CA 121.756 1.638 . . . . 0.5 111.751 179.766 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 529' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -64.94 138.61 58.47 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 109.242 -0.651 . . . . 1.6 109.242 176.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 530' ' ' GLY . . . . . . . . . . . . . . . 87.81 5.01 78.45 Favored Glycine 0 N--CA 1.446 -0.689 0 C-N-CA 119.944 -1.122 . . . . 0.52 110.926 -172.336 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 531' ' ' SER . . . . . . . . . . . . . 56.8 m -153.5 7.68 0.37 Allowed 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.03 0.443 . . . . 1.49 110.51 -176.557 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 532' ' ' CYS . . . . . 0.476 ' HB2' ' HD2' ' A' ' 554' ' ' LYS . 60.6 m -88.61 78.64 7.73 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 108.17 -1.048 . . . . 0.25 108.17 175.316 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 533' ' ' THR . . . . . 0.491 ' O ' HG22 ' A' ' 537' ' ' VAL . 29.1 p -95.7 153.03 17.94 Favored 'General case' 0 C--N 1.315 -0.905 0 C-N-CA 119.611 -0.836 . . . . 1.1 109.258 -176.062 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 534' ' ' GLU . . . . . 0.544 ' HA ' HD11 ' A' ' 552' ' ' LEU . 2.2 mp0 -63.93 -33.96 76.9 Favored 'General case' 0 C--N 1.318 -0.771 0 N-CA-C 108.789 -0.819 . . . . 1.64 108.789 176.489 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 535' ' ' ASN . . . . . . . . . . . . . 66.4 t30 -64.47 -50.02 69.1 Favored 'General case' 0 C--O 1.213 -0.868 0 CA-C-N 114.982 -1.008 . . . . 1.86 111.009 -176.362 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 536' ' ' ASP . . . . . . . . . . . . . 46.9 m-20 -69.96 -44.82 68.7 Favored 'General case' 0 N--CA 1.472 0.643 0 CA-C-O 121.345 0.593 . . . . 0.61 111.396 -171.677 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 537' ' ' VAL . . . . . 0.491 HG22 ' O ' ' A' ' 533' ' ' THR . 39.2 t -59.85 -48.12 88.89 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 CA-C-N 115.052 -0.976 . . . . 1.03 109.738 -178.902 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 538' ' ' ILE . . . . . 0.642 HD12 ' CG ' ' A' ' 550' ' ' TYR . 62.1 mt -68.93 -33.42 59.02 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.721 0 CA-C-N 115.21 -0.905 . . . . 1.06 111.84 176.664 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 539' ' ' ASN . . . . . . . . . . . . . 11.5 m120 -57.95 -27.67 63.62 Favored 'General case' 0 CA--C 1.51 -0.56 0 O-C-N 122.115 -0.365 . . . . 0.25 110.097 176.895 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 540' ' ' LEU . . . . . 0.439 HD22 ' OH ' ' A' ' 576' ' ' TYR . 81.8 mt -75.74 -41.93 51.91 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 109.916 -0.402 . . . . 1.11 109.916 174.545 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 541' ' ' GLY . . . . . 0.464 ' HA2' ' SD ' ' A' ' 572' ' ' MET . . . -67.04 -52.71 30.81 Favored Glycine 0 CA--C 1.521 0.464 0 N-CA-C 115.537 0.975 . . . . 0.19 115.537 -178.929 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 542' ' ' LEU . . . . . 0.431 ' HB2' ' CD1' ' A' ' 615' ' ' ILE . 39.7 mt -56.17 -48.41 96.92 Favored Pre-proline 0 C--N 1.321 -0.647 0 N-CA-C 114.641 1.349 . . . . 1.06 114.641 -168.457 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 543' ' ' PRO . . . . . . . . . . . . . 48.6 Cg_exo -60.63 -24.5 78.63 Favored 'Trans proline' 0 C--N 1.347 0.455 0 C-N-CA 121.986 1.791 . . . . 0.25 113.565 -177.262 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 544' ' ' PHE . . . . . 0.482 ' HB2' ' HE2' ' A' ' 572' ' ' MET . 81.9 m-85 -99.17 -15.67 18.85 Favored 'General case' 0 C--O 1.235 0.325 0 O-C-N 121.851 -0.531 . . . . 0.38 111.25 177.335 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 545' ' ' GLY . . . . . 0.414 ' O ' ' HA ' ' A' ' 542' ' ' LEU . . . 178.74 152.54 10.52 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.691 -0.766 . . . . 0.44 112.651 -178.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 546' ' ' LYS . . . . . . . . . . . . . 62.4 tttp -65.44 124.01 21.15 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.09 0.471 . . . . 2.62 111.227 -178.343 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 547' ' ' VAL . . . . . 0.515 HG21 HG21 ' A' ' 538' ' ' ILE . 78.3 t -85.31 115.14 26.49 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.441 0 CA-C-N 115.507 -0.77 . . . . 1.05 110.39 177.335 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 548' ' ' THR . . . . . . . . . . . . . 22.4 p -93.78 -35.96 12.51 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 116.301 -0.409 . . . . 1.11 111.463 178.048 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 549' ' ' ASN . . . . . . . . . . . . . 92.4 m-20 -143.68 161.87 37.44 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.041 0.448 . . . . 1.49 110.685 178.81 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 550' ' ' TYR . . . . . 0.642 ' CG ' HD12 ' A' ' 538' ' ' ILE . 3.8 p90 -161.5 152.21 17.93 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.723 -0.671 . . . . 0.96 109.276 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 551' ' ' ILE . . . . . 0.5 ' HB ' ' HB2' ' A' ' 560' ' ' PHE . 49.5 mt -140.99 123.16 14.88 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 N-CA-C 108.372 -0.973 . . . . 1.1 108.372 -176.505 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 552' ' ' LEU . . . . . 0.544 HD11 ' HA ' ' A' ' 534' ' ' GLU . 20.6 mt -108.2 120.68 43.05 Favored 'General case' 0 C--N 1.316 -0.854 0 C-N-CA 120.082 -0.647 . . . . 1.17 111.063 -176.685 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 553' ' ' MET . . . . . 0.418 ' HE1' ' HB2' ' A' ' 558' ' ' GLN . 72.2 mtm -110.12 82.61 1.62 Allowed 'General case' 0 C--N 1.321 -0.662 0 C-N-CA 119.893 -0.723 . . . . 1.55 109.218 178.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 554' ' ' LYS . . . . . 0.476 ' HD2' ' HB2' ' A' ' 532' ' ' CYS . 23.0 mmtp -53.44 -28.8 32.11 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 114.839 -1.073 . . . . 1.63 112.136 174.099 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 555' ' ' SER . . . . . . . . . . . . . 60.7 p -70.41 -39.81 74.23 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 111.99 0.367 . . . . 0.7 111.99 -174.136 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 556' ' ' THR . . . . . . . . . . . . . 41.0 p -102.41 2.78 37.05 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 112.667 0.617 . . . . 1.14 112.667 -177.682 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 557' ' ' ASN . . . . . . . . . . . . . 4.2 m-20 59.21 39.1 23.16 Favored 'General case' 0 C--O 1.237 0.406 0 CA-C-O 121.708 0.766 . . . . 2.03 110.31 -175.573 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 558' ' ' GLN . . . . . 0.418 ' HB2' ' HE1' ' A' ' 553' ' ' MET . 70.4 mt-30 -140.34 165.1 28.31 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.231 -0.895 . . . . 1.24 109.648 -177.03 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 559' ' ' ALA . . . . . . . . . . . . . . . -157.68 165.98 34.02 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.104 0.478 . . . . 1.04 111.858 -177.603 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 560' ' ' PHE . . . . . 0.5 ' HB2' ' HB ' ' A' ' 551' ' ' ILE . 95.0 m-85 -119.31 149.84 41.13 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.97 -0.559 . . . . 0.46 110.721 176.606 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 561' ' ' LEU . . . . . 0.446 ' O ' ' HB ' ' A' ' 522' ' ' VAL . 51.4 tp -136.65 119.5 16.28 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.891 -0.595 . . . . 1.06 110.198 -179.865 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 562' ' ' GLU . . . . . 0.411 ' HB2' HD11 ' A' ' 599' ' ' LEU . 33.3 tt0 -100.33 126.78 46.72 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.206 0.527 . . . . 2.09 110.527 178.8 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 563' ' ' MET . . . . . 0.637 ' SD ' ' HA ' ' A' ' 569' ' ' ALA . 33.2 mtt -115.45 150.1 37.0 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.34 -0.845 . . . . 1.06 109.416 -175.503 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 564' ' ' ALA . . . . . . . . . . . . . . . -76.24 -16.07 59.89 Favored 'General case' 0 C--N 1.328 -0.339 0 O-C-N 123.368 0.418 . . . . 1.25 111.977 -171.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 565' ' ' TYR . . . . . 0.476 ' HB3' ' HG2' ' A' ' 567' ' ' GLU . 79.7 m-85 -142.68 144.54 32.78 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.191 -0.459 . . . . 1.39 110.139 -179.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 566' ' ' THR . . . . . 0.405 ' O ' ' HG2' ' A' ' 570' ' ' GLN . 4.5 t -68.41 -26.6 65.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.737 -0.665 . . . . 1.24 110.059 -178.247 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 567' ' ' GLU . . . . . 0.478 ' HA ' HE21 ' A' ' 570' ' ' GLN . 8.9 pt-20 -57.22 -32.58 66.67 Favored 'General case' 0 C--N 1.334 -0.09 0 CA-C-N 115.663 -0.698 . . . . 0.89 110.428 175.336 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 568' ' ' ALA . . . . . 0.662 ' O ' ' HG3' ' A' ' 572' ' ' MET . . . -72.96 -43.62 62.06 Favored 'General case' 0 N--CA 1.448 -0.559 0 CA-C-N 116.034 -0.53 . . . . 1.08 110.044 -177.932 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 569' ' ' ALA . . . . . 0.637 ' HA ' ' SD ' ' A' ' 563' ' ' MET . . . -63.35 -46.88 84.51 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.783 -0.644 . . . . 1.0 111.357 -175.625 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 570' ' ' GLN . . . . . 0.478 HE21 ' HA ' ' A' ' 567' ' ' GLU . 23.5 pt20 -70.06 -36.18 74.78 Favored 'General case' 0 C--N 1.325 -0.485 0 C-N-CA 120.712 -0.395 . . . . 1.72 110.77 -179.266 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 571' ' ' ALA . . . . . . . . . . . . . . . -62.64 -43.95 97.5 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.541 0.21 . . . . 1.08 110.955 178.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 572' ' ' MET . . . . . 0.662 ' HG3' ' O ' ' A' ' 568' ' ' ALA . 30.6 mtt -65.47 -44.39 87.28 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 110.137 -0.32 . . . . 1.05 110.137 179.249 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 573' ' ' VAL . . . . . 0.588 HG23 ' O ' ' A' ' 569' ' ' ALA . 97.8 t -59.05 -47.02 91.36 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.494 -0.321 . . . . 1.08 110.14 177.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 574' ' ' GLN . . . . . 0.46 ' HG2' ' O ' ' A' ' 570' ' ' GLN . 31.0 mm-40 -61.49 -40.37 94.33 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.465 -0.334 . . . . 2.79 110.965 179.85 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 575' ' ' TYR . . . . . . . . . . . . . 84.3 t80 -68.65 -52.6 29.46 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.131 -0.486 . . . . 1.09 111.0 -179.017 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 576' ' ' TYR . . . . . 0.493 ' CE2' HD12 ' A' ' 590' ' ' ILE . 61.1 m-85 -72.71 -13.35 61.32 Favored 'General case' 0 N--CA 1.464 0.246 0 N-CA-C 112.804 0.668 . . . . 1.03 112.804 -176.518 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 577' ' ' GLN . . . . . 0.575 ' HG3' ' O ' ' A' ' 573' ' ' VAL . 93.8 mt-30 -68.77 -41.35 78.93 Favored 'General case' 0 C--N 1.326 -0.416 0 C-N-CA 120.341 -0.543 . . . . 2.14 109.658 169.671 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 578' ' ' GLU . . . . . . . . . . . . . 30.4 mm-40 -86.36 -38.95 16.92 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.824 -0.625 . . . . 2.14 111.123 179.876 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 579' ' ' LYS . . . . . 0.479 ' O ' ' HA ' ' A' ' 576' ' ' TYR . 26.7 mtpp -135.53 90.47 20.07 Favored Pre-proline 0 C--N 1.323 -0.568 0 CA-C-N 116.432 -0.349 . . . . 2.95 110.233 176.167 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 580' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_endo -64.78 160.74 39.23 Favored 'Trans proline' 0 N--CA 1.462 -0.35 0 C-N-CA 122.276 1.984 . . . . 0.51 111.608 177.884 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 581' ' ' ALA . . . . . 0.49 ' O ' ' HG ' ' A' ' 588' ' ' LEU . . . -91.06 130.26 36.98 Favored 'General case' 0 C--N 1.323 -0.587 0 N-CA-C 109.318 -0.623 . . . . 1.09 109.318 178.887 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 582' ' ' ILE . . . . . . . . . . . . . 48.8 mt -102.91 121.76 54.47 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.759 0 CA-C-O 120.736 0.303 . . . . 1.19 111.374 -172.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 583' ' ' ILE . . . . . . . . . . . . . 30.8 mm -127.96 113.7 31.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 N-CA-C 109.654 -0.499 . . . . 1.21 109.654 176.126 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 584' ' ' ASN . . . . . . . . . . . . . 86.3 m-20 58.14 33.77 23.5 Favored 'General case' 0 N--CA 1.467 0.415 0 CA-C-O 121.132 0.491 . . . . 1.34 110.578 -178.776 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 585' ' ' GLY . . . . . . . . . . . . . . . 84.02 3.83 88.85 Favored Glycine 0 N--CA 1.444 -0.791 0 CA-C-N 115.561 -0.745 . . . . 0.51 113.666 176.854 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 586' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -106.85 126.22 52.03 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 117.344 0.572 . . . . 1.79 110.473 177.801 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 587' ' ' LYS . . . . . . . . . . . . . 59.6 mttp -75.92 121.98 23.47 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.608 -0.724 . . . . 2.25 111.13 177.774 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 588' ' ' LEU . . . . . 0.49 ' HG ' ' O ' ' A' ' 581' ' ' ALA . 49.4 mt -80.74 137.26 36.26 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 116.028 -0.533 . . . . 1.03 110.821 -179.181 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 589' ' ' LEU . . . . . 0.495 ' HB3' ' SG ' ' A' ' 525' ' ' CYS . 56.0 tp -112.3 112.14 23.51 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.7 -0.682 . . . . 1.13 110.399 -179.251 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 590' ' ' ILE . . . . . 0.493 HD12 ' CE2' ' A' ' 576' ' ' TYR . 18.6 mt -104.91 118.91 53.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 116.254 -0.43 . . . . 1.08 110.104 177.08 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 591' ' ' ARG . . . . . . . . . . . . . 38.9 mtm180 -146.22 165.78 28.17 Favored 'General case' 0 N--CA 1.463 0.203 0 CA-C-O 120.67 0.271 . . . . 3.18 110.571 179.553 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 592' ' ' MET . . . . . . . . . . . . . 64.9 mtt -81.71 129.02 34.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.257 -0.429 . . . . 1.13 110.194 -176.126 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 593' ' ' SER . . . . . 0.403 ' OG ' HG13 ' A' ' 521' ' ' VAL . 28.0 m -69.21 136.42 52.01 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.35 0.595 . . . . 1.65 111.576 -177.182 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 594' ' ' THR . . . . . . . . . . . . . 22.9 p -90.53 -10.17 44.52 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 114.944 -1.025 . . . . 1.14 111.746 -177.278 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 595' ' ' ARG . . . . . . . . . . . . . 97.8 mtt180 -102.61 -28.62 12.04 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 112.561 0.578 . . . . 3.37 112.561 -172.14 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 596' ' ' TYR . . . . . . . . . . . . . 81.1 m-85 -125.68 146.1 49.88 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.198 0.523 . . . . 1.15 112.267 -173.637 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 597' ' ' LYS . . . . . . . . . . . . . 49.1 mtmt -109.6 -7.77 15.07 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.454 -0.793 . . . . 2.63 111.857 177.56 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 598' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -142.82 148.92 37.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.107 0.479 . . . . 0.95 110.943 177.33 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 599' ' ' LEU . . . . . 0.464 HD23 HG12 ' A' ' 521' ' ' VAL . 37.3 mt -107.14 122.22 46.06 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.396 -0.82 . . . . 1.18 111.06 174.832 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 600' ' ' GLN . . . . . . . . . . . . . 49.5 tt0 -113.07 119.34 37.51 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.389 -0.823 . . . . 1.65 110.363 -177.751 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 601' ' ' LEU . . . . . . . . . . . . . 30.5 mt -79.32 78.08 5.83 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.986 0.422 . . . . 1.23 111.0 179.538 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 602' ' ' LYS . . . . . . . . . . . . . 56.7 mtmt -68.98 -20.24 64.17 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.812 -0.631 . . . . 2.22 109.901 176.351 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 603' ' ' LYS . . . . . . . . . . . . . 33.6 mmtp . . . . . 0 C--N 1.324 -0.514 0 N-CA-C 108.768 -0.827 . . . . 2.26 108.768 171.535 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 607' ' ' ASN . . . . . . . . . . . . . 28.5 t-20 . . . . . 0 C--O 1.233 0.233 0 CA-C-O 121.149 0.5 . . . . 1.8 111.779 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 608' ' ' VAL . . . . . 0.515 HG11 ' HB ' ' A' ' 547' ' ' VAL . 93.2 t -88.1 -24.79 6.08 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.429 0 CA-C-N 115.607 -0.724 . . . . 1.07 111.898 -175.465 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 609' ' ' ALA . . . . . . . . . . . . . . . -61.14 -36.63 80.28 Favored 'General case' 0 C--O 1.237 0.426 0 CA-C-O 121.384 0.611 . . . . 1.27 110.956 178.482 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 610' ' ' ALA . . . . . . . . . . . . . . . -61.82 -28.22 69.32 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.794 -0.639 . . . . 1.14 110.305 176.227 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 611' ' ' ILE . . . . . 0.422 ' HB ' ' O ' ' A' ' 608' ' ' VAL . 72.6 mt -71.88 -32.2 43.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 115.575 -0.739 . . . . 1.03 110.015 178.929 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 612' ' ' ILE . . . . . 0.43 HG12 HD11 ' A' ' 542' ' ' LEU . 48.8 mt -60.5 -44.72 97.07 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.244 0 CA-C-O 121.248 0.547 . . . . 1.11 109.677 175.189 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 613' ' ' GLN . . . . . . . . . . . . . 12.5 mm100 -68.45 -29.46 68.11 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.71 -0.677 . . . . 3.02 110.19 177.614 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 614' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -65.65 -41.12 92.93 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.533 -0.758 . . . . 1.95 109.672 177.269 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 615' ' ' ILE . . . . . 0.431 ' CD1' ' HB2' ' A' ' 542' ' ' LEU . 88.5 mt -61.02 -43.71 96.7 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.168 0 CA-C-O 121.009 0.433 . . . . 1.08 110.3 174.768 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 616' ' ' HIS . . . . . . . . . . . . . 81.3 m-70 -63.37 -26.22 68.65 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.685 -0.688 . . . . 1.73 110.909 177.769 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 617' ' ' SER . . . . . . . . . . . . . 34.7 m . . . . . 0 C--N 1.325 -0.475 0 CA-C-N 116.256 -0.429 . . . . 1.77 110.86 174.626 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 520' ' ' ARG . . . . . . . . . . . . . 15.8 mtm-85 . . . . . 0 N--CA 1.45 -0.448 0 CA-C-O 120.767 0.318 . . . . 2.86 110.262 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 521' ' ' VAL . . . . . 0.53 HG12 HD21 ' A' ' 599' ' ' LEU . 63.5 t -118.65 120.41 64.08 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 CA-C-N 116.087 -0.506 . . . . 1.14 110.418 168.743 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 522' ' ' VAL . . . . . 0.541 ' HB ' ' O ' ' A' ' 561' ' ' LEU . 26.1 t -120.27 122.11 67.44 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.867 0 N-CA-C 107.753 -1.203 . . . . 1.05 107.753 175.693 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 523' ' ' HIS . . . . . . . . . . . . . 59.4 t-80 -105.44 133.56 49.99 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 121.096 0.474 . . . . 0.57 110.585 -173.21 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 524' ' ' ILE . . . . . 0.447 HG12 HG12 ' A' ' 590' ' ' ILE . 23.0 mt -110.9 137.33 43.81 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.907 0 N-CA-C 108.445 -0.946 . . . . 1.06 108.445 177.092 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 525' ' ' CYS . . . . . 0.45 ' O ' ' HB2' ' A' ' 526' ' ' ASN . 0.0 OUTLIER -132.47 158.39 42.17 Favored 'General case' 0 C--N 1.316 -0.881 0 C-N-CA 120.665 -0.414 . . . . 1.75 110.97 -172.761 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 526' ' ' ASN . . . . . 0.45 ' HB2' ' O ' ' A' ' 525' ' ' CYS . 84.8 m-20 84.94 29.29 0.06 Allowed 'General case' 0 N--CA 1.469 0.476 0 O-C-N 124.748 1.28 . . . . 0.28 110.913 172.555 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 527' ' ' LEU . . . . . 0.442 ' HB3' ' SG ' ' A' ' 532' ' ' CYS . 80.2 mt -85.03 123.3 73.75 Favored Pre-proline 0 C--N 1.323 -0.546 0 N-CA-C 109.111 -0.7 . . . . 1.04 109.111 177.643 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 528' ' ' PRO . . . . . 0.403 ' C ' ' HG ' ' A' ' 532' ' ' CYS . 3.1 Cg_exo -75.04 134.68 18.03 Favored 'Trans proline' 0 N--CA 1.459 -0.519 0 C-N-CA 121.841 1.694 . . . . 0.5 111.824 179.05 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 529' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -65.3 139.59 58.61 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 109.499 -0.556 . . . . 1.6 109.499 175.455 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 530' ' ' GLY . . . . . . . . . . . . . . . 90.54 4.71 70.11 Favored Glycine 0 N--CA 1.444 -0.785 0 N-CA-C 110.592 -1.003 . . . . 0.52 110.592 -171.25 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 531' ' ' SER . . . . . . . . . . . . . 66.7 m -156.14 2.4 0.16 Allowed 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.142 0.496 . . . . 1.49 110.212 -174.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 532' ' ' CYS . . . . . 0.443 ' HB2' ' HD2' ' A' ' 554' ' ' LYS . 69.9 m -85.84 79.08 9.38 Favored 'General case' 0 CA--C 1.51 -0.559 0 N-CA-C 108.495 -0.928 . . . . 0.25 108.495 176.335 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 533' ' ' THR . . . . . 0.55 ' O ' HG23 ' A' ' 537' ' ' VAL . 33.6 p -96.4 151.15 19.82 Favored 'General case' 0 C--N 1.315 -0.897 0 C-N-CA 119.761 -0.776 . . . . 1.1 108.957 -178.819 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 534' ' ' GLU . . . . . 0.497 ' N ' HD13 ' A' ' 552' ' ' LEU . 42.7 mt-10 -65.8 -34.48 78.27 Favored 'General case' 0 C--N 1.316 -0.849 0 N-CA-C 108.831 -0.803 . . . . 1.64 108.831 176.226 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 535' ' ' ASN . . . . . . . . . . . . . 5.9 t-20 -64.84 -47.0 79.53 Favored 'General case' 0 C--O 1.216 -0.685 0 CA-C-N 114.626 -1.17 . . . . 1.86 111.159 -177.04 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 536' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -69.69 -44.21 70.91 Favored 'General case' 0 N--CA 1.477 0.921 0 CA-C-O 121.401 0.62 . . . . 0.61 111.408 -175.425 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 537' ' ' VAL . . . . . 0.55 HG23 ' O ' ' A' ' 533' ' ' THR . 46.5 t -59.74 -45.77 94.21 Favored 'Isoleucine or valine' 0 C--O 1.241 0.615 0 CA-C-N 115.037 -0.983 . . . . 1.03 109.779 179.777 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 538' ' ' ILE . . . . . 0.563 HD12 ' CG ' ' A' ' 550' ' ' TYR . 38.3 mt -68.05 -32.61 56.88 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.815 0 CA-C-N 115.124 -0.944 . . . . 1.06 111.385 174.609 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 539' ' ' ASN . . . . . . . . . . . . . 10.5 m120 -57.92 -27.45 63.36 Favored 'General case' 0 CA--C 1.514 -0.43 0 N-CA-C 110.231 -0.285 . . . . 0.25 110.231 176.291 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 540' ' ' LEU . . . . . 0.419 HD21 ' OH ' ' A' ' 576' ' ' TYR . 88.2 mt -75.58 -41.46 54.55 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 109.518 -0.549 . . . . 1.11 109.518 174.098 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 541' ' ' GLY . . . . . 0.47 ' CA ' HD22 ' A' ' 561' ' ' LEU . . . -66.52 -52.63 33.53 Favored Glycine 0 CA--C 1.525 0.718 0 N-CA-C 116.021 1.168 . . . . 0.19 116.021 -178.936 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 542' ' ' LEU . . . . . 0.528 ' HB2' ' CD1' ' A' ' 615' ' ' ILE . 51.3 mt -58.02 -45.42 99.77 Favored Pre-proline 0 C--N 1.321 -0.633 0 N-CA-C 114.981 1.474 . . . . 1.06 114.981 -168.131 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 543' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_exo -59.7 -25.61 79.6 Favored 'Trans proline' 0 C--N 1.349 0.577 0 C-N-CA 122.053 1.835 . . . . 0.25 113.654 -177.221 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 544' ' ' PHE . . . . . 0.484 ' HB2' ' HE2' ' A' ' 572' ' ' MET . 92.8 m-85 -99.92 -15.65 18.27 Favored 'General case' 0 C--O 1.233 0.19 0 O-C-N 121.985 -0.447 . . . . 0.38 111.203 178.183 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 545' ' ' GLY . . . . . 0.462 ' O ' ' HA ' ' A' ' 542' ' ' LEU . . . 177.57 157.19 17.93 Favored Glycine 0 C--O 1.226 -0.395 0 C-N-CA 120.789 -0.72 . . . . 0.44 112.258 179.512 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 546' ' ' LYS . . . . . . . . . . . . . 66.5 tttm -66.11 126.84 29.91 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.926 0.393 . . . . 2.62 110.944 -179.299 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 547' ' ' VAL . . . . . 0.522 HG23 HG21 ' A' ' 538' ' ' ILE . 72.2 t -83.14 115.43 25.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-N 115.808 -0.633 . . . . 1.05 110.616 178.087 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 548' ' ' THR . . . . . . . . . . . . . 22.6 p -93.21 -35.51 13.09 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 116.095 -0.502 . . . . 1.11 111.606 178.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 549' ' ' ASN . . . . . 0.44 ' HB2' ' HB2' ' A' ' 562' ' ' GLU . 15.9 m120 -145.49 158.39 43.85 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.946 0.403 . . . . 1.49 110.782 -179.769 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 550' ' ' TYR . . . . . 0.563 ' CG ' HD12 ' A' ' 538' ' ' ILE . 5.3 p90 -161.59 150.3 15.74 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.803 -0.635 . . . . 0.96 109.8 -179.901 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 551' ' ' ILE . . . . . 0.431 ' HB ' ' HB2' ' A' ' 560' ' ' PHE . 66.9 mt -144.69 124.53 7.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 N-CA-C 108.551 -0.907 . . . . 1.1 108.551 -176.116 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 552' ' ' LEU . . . . . 0.497 HD13 ' N ' ' A' ' 534' ' ' GLU . 29.6 mt -106.97 121.16 43.9 Favored 'General case' 0 C--N 1.316 -0.872 0 C-N-CA 120.322 -0.551 . . . . 1.17 111.137 -177.862 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 553' ' ' MET . . . . . 0.404 ' HE2' ' HB2' ' A' ' 558' ' ' GLN . 67.2 mtm -109.11 82.32 1.58 Allowed 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 109.211 -0.663 . . . . 1.55 109.211 177.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 554' ' ' LYS . . . . . 0.443 ' HD2' ' HB2' ' A' ' 532' ' ' CYS . 23.9 mmtp -53.15 -29.4 31.08 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 114.677 -1.147 . . . . 1.63 112.873 175.726 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 555' ' ' SER . . . . . . . . . . . . . 65.1 p -67.72 -41.42 83.54 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.893 0.378 . . . . 0.7 111.274 -173.871 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 556' ' ' THR . . . . . . . . . . . . . 44.0 p -99.3 1.44 44.55 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.325 -0.398 . . . . 1.14 111.821 -177.201 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 557' ' ' ASN . . . . . . . . . . . . . 13.1 m120 59.54 40.43 20.43 Favored 'General case' 0 N--CA 1.467 0.385 0 CA-C-O 121.694 0.759 . . . . 2.03 110.081 -175.462 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 558' ' ' GLN . . . . . 0.404 ' HB2' ' HE2' ' A' ' 553' ' ' MET . 72.3 mt-30 -139.69 166.0 25.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.067 -0.969 . . . . 1.24 109.575 -176.069 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 559' ' ' ALA . . . . . . . . . . . . . . . -157.91 166.71 31.94 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.109 0.48 . . . . 1.04 112.173 -178.293 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 560' ' ' PHE . . . . . 0.431 ' HB2' ' HB ' ' A' ' 551' ' ' ILE . 97.7 m-85 -118.82 145.31 45.75 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.5 -0.773 . . . . 0.46 110.569 176.809 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 561' ' ' LEU . . . . . 0.541 ' O ' ' HB ' ' A' ' 522' ' ' VAL . 62.1 tp -136.62 119.45 16.25 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.065 -0.516 . . . . 1.06 110.348 179.758 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 562' ' ' GLU . . . . . 0.44 ' HB2' ' HB2' ' A' ' 549' ' ' ASN . 0.1 OUTLIER -101.17 135.82 42.03 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.844 -0.616 . . . . 2.09 110.307 178.72 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 563' ' ' MET . . . . . 0.616 ' SD ' ' HA ' ' A' ' 569' ' ' ALA . 35.1 mtt -124.45 149.02 47.26 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.541 -0.754 . . . . 1.06 109.101 -171.672 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 564' ' ' ALA . . . . . . . . . . . . . . . -71.32 -16.28 62.44 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.874 0.368 . . . . 1.25 111.722 -171.659 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 565' ' ' TYR . . . . . 0.446 ' CB ' ' HG2' ' A' ' 567' ' ' GLU . 98.7 m-85 -141.23 144.06 34.5 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 116.138 -0.483 . . . . 1.39 110.12 -178.094 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 566' ' ' THR . . . . . . . . . . . . . 6.8 t -67.62 -26.74 66.4 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.862 -0.608 . . . . 1.24 109.821 177.664 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 567' ' ' GLU . . . . . 0.446 ' HG2' ' CB ' ' A' ' 565' ' ' TYR . 12.0 pt-20 -58.25 -32.53 68.44 Favored 'General case' 0 C--N 1.334 -0.075 0 CA-C-N 115.596 -0.729 . . . . 0.89 110.449 176.02 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 568' ' ' ALA . . . . . 0.65 ' O ' ' HG3' ' A' ' 572' ' ' MET . . . -73.33 -42.96 61.67 Favored 'General case' 0 N--CA 1.449 -0.485 0 CA-C-N 115.846 -0.616 . . . . 1.08 109.876 -178.38 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 569' ' ' ALA . . . . . 0.616 ' HA ' ' SD ' ' A' ' 563' ' ' MET . . . -63.47 -46.1 87.75 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.841 -0.618 . . . . 1.0 111.045 -176.648 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 570' ' ' GLN . . . . . . . . . . . . . 13.5 pt20 -69.07 -35.97 77.12 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.124 -0.489 . . . . 1.72 110.59 -179.09 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 571' ' ' ALA . . . . . . . . . . . . . . . -63.58 -44.8 93.02 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-N 116.397 -0.365 . . . . 1.08 110.914 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 572' ' ' MET . . . . . 0.65 ' HG3' ' O ' ' A' ' 568' ' ' ALA . 34.7 mtt -64.5 -46.78 81.49 Favored 'General case' 0 CA--C 1.517 -0.296 0 CA-C-N 116.207 -0.451 . . . . 1.05 110.314 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 573' ' ' VAL . . . . . 0.645 ' O ' ' HG2' ' A' ' 577' ' ' GLN . 69.0 t -58.84 -48.17 87.07 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.285 0 C-N-CA 120.982 -0.287 . . . . 1.08 110.345 -179.44 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 574' ' ' GLN . . . . . . . . . . . . . 49.9 mt-30 -60.9 -38.73 86.71 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.797 0.332 . . . . 2.79 110.78 -179.874 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 575' ' ' TYR . . . . . . . . . . . . . 66.6 t80 -68.57 -52.45 31.6 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.934 -0.576 . . . . 1.09 110.749 -179.154 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 576' ' ' TYR . . . . . 0.565 ' CE2' HD12 ' A' ' 590' ' ' ILE . 61.3 m-85 -73.8 -13.58 60.96 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 112.652 0.612 . . . . 1.03 112.652 -176.918 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 577' ' ' GLN . . . . . 0.645 ' HG2' ' O ' ' A' ' 573' ' ' VAL . 15.9 mm-40 -64.56 -42.6 95.58 Favored 'General case' 0 C--N 1.331 -0.23 0 N-CA-C 109.166 -0.679 . . . . 2.14 109.166 171.219 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 578' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -91.92 -39.61 11.61 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.609 -0.723 . . . . 2.14 111.863 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 579' ' ' LYS . . . . . . . . . . . . . 94.6 mttt -129.51 85.67 58.13 Favored Pre-proline 0 C--N 1.328 -0.366 0 N-CA-C 110.142 -0.318 . . . . 2.95 110.142 178.39 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 580' ' ' PRO . . . . . . . . . . . . . 36.2 Cg_endo -65.71 160.67 42.43 Favored 'Trans proline' 0 CA--C 1.527 0.157 0 C-N-CA 122.604 2.202 . . . . 0.51 112.047 -179.623 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 581' ' ' ALA . . . . . 0.467 ' O ' ' HG ' ' A' ' 588' ' ' LEU . . . -90.82 130.33 36.8 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 109.465 -0.568 . . . . 1.09 109.465 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 582' ' ' ILE . . . . . . . . . . . . . 59.2 mt -105.46 121.3 57.45 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 CA-C-O 120.814 0.34 . . . . 1.19 111.711 -172.71 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 583' ' ' ILE . . . . . . . . . . . . . 33.2 mm -125.01 114.09 38.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 115.755 -0.657 . . . . 1.21 109.508 175.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 584' ' ' ASN . . . . . . . . . . . . . 67.7 m-20 58.63 32.7 22.44 Favored 'General case' 0 N--CA 1.469 0.485 0 CA-C-O 121.251 0.548 . . . . 1.34 110.225 -177.131 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 585' ' ' GLY . . . . . . . . . . . . . . . 83.76 3.17 89.61 Favored Glycine 0 N--CA 1.443 -0.842 0 CA-C-N 115.708 -0.678 . . . . 0.51 113.391 179.223 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 586' ' ' GLU . . . . . . . . . . . . . 8.6 mm-40 -101.13 125.46 47.75 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 117.262 0.531 . . . . 1.79 110.407 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 587' ' ' LYS . . . . . . . . . . . . . 95.7 mttt -76.47 116.35 17.07 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.72 -0.673 . . . . 2.25 111.413 177.854 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 588' ' ' LEU . . . . . 0.467 ' HG ' ' O ' ' A' ' 581' ' ' ALA . 43.8 mt -79.56 136.52 36.89 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.03 -0.532 . . . . 1.03 110.193 179.679 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 589' ' ' LEU . . . . . . . . . . . . . 41.4 tp -112.67 111.74 22.76 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 116.048 -0.523 . . . . 1.13 110.612 -179.233 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 590' ' ' ILE . . . . . 0.565 HD12 ' CE2' ' A' ' 576' ' ' TYR . 20.5 mt -102.0 118.93 49.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 N-CA-C 109.902 -0.407 . . . . 1.08 109.902 176.598 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 591' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -147.29 166.0 28.39 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.924 0.392 . . . . 3.18 110.688 -178.316 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 592' ' ' MET . . . . . . . . . . . . . 61.8 mtt -81.9 144.22 31.12 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.012 -0.54 . . . . 1.13 110.118 -177.002 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 593' ' ' SER . . . . . 0.49 ' OG ' HG13 ' A' ' 521' ' ' VAL . 20.0 m -94.14 137.82 32.89 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.666 0.746 . . . . 1.65 112.843 -172.334 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 594' ' ' THR . . . . . . . . . . . . . 18.1 p -91.78 -17.49 25.28 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 114.453 -1.249 . . . . 1.14 112.631 -177.166 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 595' ' ' ARG . . . . . . . . . . . . . 94.4 mtt180 -100.08 -28.99 12.77 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 112.395 0.517 . . . . 3.37 112.395 -167.633 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 596' ' ' TYR . . . . . . . . . . . . . 42.0 m-85 -124.46 149.3 46.96 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.989 0.423 . . . . 1.15 111.807 -178.37 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 597' ' ' LYS . . . . . . . . . . . . . 71.8 mmtt -109.55 -12.67 14.66 Favored 'General case' 0 C--O 1.222 -0.352 0 CA-C-N 115.564 -0.744 . . . . 2.63 111.839 179.89 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 598' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -142.84 151.9 41.6 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.079 0.466 . . . . 0.95 111.143 -177.3 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 599' ' ' LEU . . . . . 0.53 HD21 HG12 ' A' ' 521' ' ' VAL . 62.9 mt -116.24 122.8 46.04 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.428 -0.805 . . . . 1.18 110.675 176.31 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 600' ' ' GLN . . . . . . . . . . . . . 30.0 tt0 -112.6 132.77 54.98 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.737 -0.665 . . . . 1.65 110.0 178.059 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 601' ' ' LEU . . . . . . . . . . . . . 60.6 mt -82.17 92.95 6.97 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.913 0.387 . . . . 1.23 111.061 -179.415 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 602' ' ' LYS . . . . . 0.473 ' HZ3' ' HB3' ' A' ' 602' ' ' LYS . 9.1 mtpm? -77.41 -17.74 57.88 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.096 0.474 . . . . 2.22 110.063 175.122 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 603' ' ' LYS . . . . . . . . . . . . . 34.7 mmtp . . . . . 0 C--N 1.325 -0.466 0 CA-C-N 115.775 -0.648 . . . . 2.26 109.737 177.663 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 607' ' ' ASN . . . . . . . . . . . . . 31.5 t30 . . . . . 0 C--O 1.233 0.194 0 CA-C-O 121.221 0.534 . . . . 1.8 111.067 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 608' ' ' VAL . . . . . 0.502 HG11 ' HB ' ' A' ' 547' ' ' VAL . 57.9 t -79.74 -21.14 12.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 115.505 -0.771 . . . . 1.07 110.885 -177.095 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 609' ' ' ALA . . . . . . . . . . . . . . . -66.1 -36.17 82.45 Favored 'General case' 0 C--O 1.236 0.377 0 CA-C-O 121.499 0.666 . . . . 1.27 110.705 176.745 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 610' ' ' ALA . . . . . . . . . . . . . . . -63.75 -26.87 68.84 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.741 -0.663 . . . . 1.14 109.999 177.813 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 611' ' ' ILE . . . . . 0.446 ' CD1' HD11 ' A' ' 538' ' ' ILE . 70.0 mt -70.56 -30.85 44.25 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.406 0 CA-C-N 115.393 -0.821 . . . . 1.03 109.714 177.825 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 612' ' ' ILE . . . . . 0.448 ' CG1' HD11 ' A' ' 542' ' ' LEU . 66.9 mt -60.5 -40.49 84.48 Favored 'Isoleucine or valine' 0 C--O 1.233 0.234 0 N-CA-C 109.526 -0.546 . . . . 1.11 109.526 172.312 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 613' ' ' GLN . . . . . . . . . . . . . 32.6 mm-40 -62.67 -34.66 77.55 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.806 -0.633 . . . . 3.02 110.274 175.825 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 614' ' ' ASP . . . . . . . . . . . . . 40.1 m-20 -66.26 -43.59 86.04 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.769 -0.651 . . . . 1.95 110.439 178.775 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 615' ' ' ILE . . . . . 0.528 ' CD1' ' HB2' ' A' ' 542' ' ' LEU . 88.3 mt -61.27 -44.74 98.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.364 -0.38 . . . . 1.08 110.668 177.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 616' ' ' HIS . . . . . . . . . . . . . 9.8 m-70 -63.03 -30.36 71.54 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.031 -0.531 . . . . 1.73 110.757 177.84 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 617' ' ' SER . . . . . . . . . . . . . 31.4 t . . . . . 0 C--N 1.326 -0.434 0 CA-C-N 115.939 -0.573 . . . . 1.77 110.775 178.199 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 520' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.45 -0.431 0 N-CA-C 109.591 -0.522 . . . . 2.86 109.591 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 521' ' ' VAL . . . . . 0.499 HG13 HD21 ' A' ' 599' ' ' LEU . 89.2 t -117.1 121.39 67.64 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.813 0 CA-C-N 115.784 -0.644 . . . . 1.14 110.733 172.04 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 522' ' ' VAL . . . . . 0.483 HG13 ' HE2' ' A' ' 563' ' ' MET . 22.8 t -121.64 121.35 64.21 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.823 0 N-CA-C 108.546 -0.909 . . . . 1.05 108.546 179.521 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 523' ' ' HIS . . . . . . . . . . . . . 33.4 t-80 -106.19 134.05 49.93 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.093 0.473 . . . . 0.57 109.992 -176.179 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 524' ' ' ILE . . . . . 0.422 HG12 HG12 ' A' ' 590' ' ' ILE . 28.5 mt -111.75 143.02 22.38 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.963 0 N-CA-C 108.684 -0.858 . . . . 1.06 108.684 178.559 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 525' ' ' CYS . . . . . 0.578 ' SG ' ' HB3' ' A' ' 589' ' ' LEU . 7.6 p -139.7 164.28 30.34 Favored 'General case' 0 C--N 1.314 -0.938 0 C-N-CA 120.68 -0.408 . . . . 1.75 111.299 -178.114 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 526' ' ' ASN . . . . . 0.447 ' HB2' ' O ' ' A' ' 525' ' ' CYS . 83.9 m-20 86.9 27.38 0.04 OUTLIER 'General case' 0 N--CA 1.47 0.536 0 O-C-N 124.863 1.352 . . . . 0.28 110.706 174.766 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 527' ' ' LEU . . . . . . . . . . . . . 80.1 mt -84.26 124.18 74.26 Favored Pre-proline 0 C--N 1.325 -0.469 0 N-CA-C 109.011 -0.737 . . . . 1.04 109.011 177.161 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 528' ' ' PRO . . . . . . . . . . . . . 7.6 Cg_exo -71.99 135.2 24.9 Favored 'Trans proline' 0 N--CA 1.459 -0.522 0 C-N-CA 121.56 1.507 . . . . 0.5 111.614 -179.666 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 529' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -65.19 138.85 58.52 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 116.003 -0.544 . . . . 1.6 110.089 177.638 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 530' ' ' GLY . . . . . . . . . . . . . . . 85.9 5.15 84.05 Favored Glycine 0 N--CA 1.444 -0.799 0 C-N-CA 120.053 -1.07 . . . . 0.52 110.559 -173.726 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 531' ' ' SER . . . . . . . . . . . . . 57.7 m -150.53 6.7 0.56 Allowed 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.192 0.52 . . . . 1.49 110.176 -174.626 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 532' ' ' CYS . . . . . . . . . . . . . 62.0 m -87.94 86.03 7.08 Favored 'General case' 0 CA--C 1.515 -0.397 0 N-CA-C 109.132 -0.692 . . . . 0.25 109.132 177.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 533' ' ' THR . . . . . 0.577 ' O ' HG21 ' A' ' 537' ' ' VAL . 29.1 p -99.76 151.85 20.78 Favored 'General case' 0 N--CA 1.443 -0.803 0 C-N-CA 119.837 -0.745 . . . . 1.1 109.04 -178.661 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 534' ' ' GLU . . . . . 0.573 ' N ' HD13 ' A' ' 552' ' ' LEU . 48.0 mt-10 -66.13 -34.05 77.17 Favored 'General case' 0 C--N 1.317 -0.81 0 N-CA-C 108.539 -0.912 . . . . 1.64 108.539 175.029 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 535' ' ' ASN . . . . . . . . . . . . . 14.4 t-20 -61.14 -49.84 75.62 Favored 'General case' 0 C--O 1.219 -0.526 0 CA-C-N 114.272 -1.331 . . . . 1.86 112.12 -176.88 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 536' ' ' ASP . . . . . . . . . . . . . 12.5 m-20 -69.63 -44.2 71.15 Favored 'General case' 0 N--CA 1.472 0.658 0 CA-C-O 121.629 0.728 . . . . 0.61 111.058 -174.396 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 537' ' ' VAL . . . . . 0.577 HG21 ' O ' ' A' ' 533' ' ' THR . 33.2 t -60.08 -47.66 91.02 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.776 0 CA-C-N 114.528 -1.214 . . . . 1.03 109.75 -178.615 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 538' ' ' ILE . . . . . 0.609 HD12 ' CG ' ' A' ' 550' ' ' TYR . 66.6 mt -68.39 -34.06 63.77 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.664 0 CA-C-N 115.347 -0.842 . . . . 1.06 111.575 176.029 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 539' ' ' ASN . . . . . 0.46 ' HA ' HD13 ' A' ' 615' ' ' ILE . 11.2 m120 -58.31 -27.02 63.71 Favored 'General case' 0 CA--C 1.512 -0.513 0 C-N-CA 120.966 -0.294 . . . . 0.25 110.521 177.558 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 540' ' ' LEU . . . . . 0.457 HD22 ' OH ' ' A' ' 576' ' ' TYR . 83.0 mt -76.05 -42.01 48.92 Favored 'General case' 0 C--N 1.324 -0.533 0 C-N-CA 120.724 -0.39 . . . . 1.11 110.271 173.736 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 541' ' ' GLY . . . . . 0.551 ' CA ' HD21 ' A' ' 561' ' ' LEU . . . -61.13 -49.92 72.92 Favored Glycine 0 CA--C 1.523 0.593 0 N-CA-C 115.772 1.069 . . . . 0.19 115.772 179.87 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 542' ' ' LEU . . . . . 0.463 ' HB2' ' CD1' ' A' ' 615' ' ' ILE . 74.8 mt -63.62 -41.3 64.89 Favored Pre-proline 0 C--N 1.319 -0.744 0 N-CA-C 115.219 1.563 . . . . 1.06 115.219 -168.541 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 543' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_exo -61.0 -26.82 83.84 Favored 'Trans proline' 0 CA--C 1.531 0.348 0 C-N-CA 121.565 1.51 . . . . 0.25 113.851 -179.026 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 544' ' ' PHE . . . . . 0.447 ' HB2' ' CE ' ' A' ' 572' ' ' MET . 86.1 m-85 -99.66 -15.16 18.65 Favored 'General case' 0 C--O 1.234 0.237 0 O-C-N 122.073 -0.392 . . . . 0.38 111.652 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 545' ' ' GLY . . . . . 0.455 ' O ' ' HA ' ' A' ' 542' ' ' LEU . . . -175.51 -174.42 42.08 Favored Glycine 0 C--O 1.223 -0.533 0 C-N-CA 120.704 -0.76 . . . . 0.44 112.454 -177.522 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 546' ' ' LYS . . . . . . . . . . . . . 39.9 ttpt -95.61 123.52 39.2 Favored 'General case' 0 C--N 1.32 -0.712 0 O-C-N 122.072 -0.664 . . . . 2.62 109.708 -178.569 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 547' ' ' VAL . . . . . 0.552 ' HB ' HG11 ' A' ' 608' ' ' VAL . 76.8 t -84.5 113.5 23.32 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-O 121.144 0.497 . . . . 1.05 110.323 177.063 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 548' ' ' THR . . . . . . . . . . . . . 21.9 p -95.06 -35.48 11.91 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 115.699 -0.682 . . . . 1.11 111.202 177.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 549' ' ' ASN . . . . . 0.489 ' OD1' HD13 ' A' ' 601' ' ' LEU . 94.7 m-20 -142.41 158.01 44.16 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.841 -0.618 . . . . 1.49 110.638 -178.136 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 550' ' ' TYR . . . . . 0.609 ' CG ' HD12 ' A' ' 538' ' ' ILE . 2.7 p90 -159.48 151.59 20.85 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.562 -0.744 . . . . 0.96 109.385 -179.078 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 551' ' ' ILE . . . . . 0.505 ' HB ' ' HB2' ' A' ' 560' ' ' PHE . 66.9 mt -144.27 123.88 7.66 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 N-CA-C 108.456 -0.942 . . . . 1.1 108.456 -175.924 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 552' ' ' LEU . . . . . 0.573 HD13 ' N ' ' A' ' 534' ' ' GLU . 22.2 mt -106.58 113.45 26.97 Favored 'General case' 0 C--N 1.316 -0.86 0 C-N-CA 119.954 -0.698 . . . . 1.17 110.404 -179.167 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 553' ' ' MET . . . . . 0.408 ' SD ' ' CE2' ' A' ' 560' ' ' PHE . 28.0 mtp -97.62 79.8 2.75 Favored 'General case' 0 C--N 1.319 -0.752 0 N-CA-C 108.113 -1.069 . . . . 1.55 108.113 -176.739 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 554' ' ' LYS . . . . . . . . . . . . . 28.9 mmtp -54.45 -29.22 48.85 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 114.794 -1.094 . . . . 1.63 113.104 177.859 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 555' ' ' SER . . . . . . . . . . . . . 67.4 p -69.17 -40.6 78.05 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 120.77 0.319 . . . . 0.7 111.313 -175.167 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 556' ' ' THR . . . . . . . . . . . . . 52.0 p -101.15 4.38 41.99 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 112.789 0.663 . . . . 1.14 112.789 -177.231 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 557' ' ' ASN . . . . . . . . . . . . . 2.6 m-20 58.78 39.93 23.59 Favored 'General case' 0 N--CA 1.469 0.523 0 CA-C-O 121.967 0.889 . . . . 2.03 109.907 -176.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 558' ' ' GLN . . . . . . . . . . . . . 26.7 mt-30 -137.89 169.29 18.04 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 114.763 -1.108 . . . . 1.24 109.367 -175.384 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 559' ' ' ALA . . . . . . . . . . . . . . . -157.95 165.27 35.59 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 118.036 0.38 . . . . 1.04 111.887 -178.828 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 560' ' ' PHE . . . . . 0.505 ' HB2' ' HB ' ' A' ' 551' ' ' ILE . 84.9 m-85 -119.06 149.48 41.59 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.235 -0.439 . . . . 0.46 110.475 173.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 561' ' ' LEU . . . . . 0.551 HD21 ' CA ' ' A' ' 541' ' ' GLY . 51.1 tp -138.42 119.65 14.66 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.542 -0.754 . . . . 1.06 110.052 -178.94 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 562' ' ' GLU . . . . . 0.45 ' HB2' HD11 ' A' ' 599' ' ' LEU . 29.3 tt0 -99.24 133.34 43.68 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.432 0.634 . . . . 2.09 110.846 -178.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 563' ' ' MET . . . . . 0.544 ' SD ' ' HA ' ' A' ' 569' ' ' ALA . 10.0 mtt -120.57 144.13 48.25 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 114.91 -1.041 . . . . 1.06 109.423 -175.007 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 564' ' ' ALA . . . . . . . . . . . . . . . -67.44 -21.99 65.52 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 112.828 0.677 . . . . 1.25 112.828 -169.347 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 565' ' ' TYR . . . . . . . . . . . . . 77.9 m-85 -140.49 151.88 45.16 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 120.885 0.374 . . . . 1.39 110.271 178.369 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 566' ' ' THR . . . . . . . . . . . . . 14.0 t -65.84 -26.75 67.8 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.588 -0.733 . . . . 1.24 110.646 -177.637 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 567' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -56.21 -33.1 65.03 Favored 'General case' 0 C--O 1.233 0.194 0 CA-C-N 115.962 -0.563 . . . . 0.89 111.186 175.084 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 568' ' ' ALA . . . . . 0.747 ' O ' ' HG2' ' A' ' 572' ' ' MET . . . -73.6 -43.11 60.5 Favored 'General case' 0 N--CA 1.449 -0.519 0 CA-C-N 116.114 -0.494 . . . . 1.08 109.938 -175.831 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 569' ' ' ALA . . . . . 0.544 ' HA ' ' SD ' ' A' ' 563' ' ' MET . . . -62.03 -44.31 96.98 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.726 -0.67 . . . . 1.0 111.683 -175.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 570' ' ' GLN . . . . . 0.48 ' O ' ' HG2' ' A' ' 574' ' ' GLN . 9.3 pt20 -67.93 -36.01 79.41 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.386 -0.37 . . . . 1.72 110.443 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 571' ' ' ALA . . . . . . . . . . . . . . . -62.38 -39.65 93.89 Favored 'General case' 0 N--CA 1.454 -0.242 0 CA-C-N 116.315 -0.402 . . . . 1.08 110.693 177.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 572' ' ' MET . . . . . 0.747 ' HG2' ' O ' ' A' ' 568' ' ' ALA . 13.2 mmt -60.77 -49.57 76.97 Favored 'General case' 0 CA--C 1.519 -0.246 0 CA-C-N 116.048 -0.524 . . . . 1.05 109.739 177.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 573' ' ' VAL . . . . . . . . . . . . . 59.5 t -63.47 -47.63 90.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 115.57 -0.741 . . . . 1.08 110.626 -176.879 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 574' ' ' GLN . . . . . 0.48 ' HG2' ' O ' ' A' ' 570' ' ' GLN . 79.6 mm-40 -61.89 -39.45 92.0 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.759 0.314 . . . . 2.79 111.065 -178.497 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 575' ' ' TYR . . . . . . . . . . . . . 56.0 t80 -69.6 -53.42 18.91 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.273 -0.421 . . . . 1.09 110.908 -177.734 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 576' ' ' TYR . . . . . 0.537 ' CE1' ' HB3' ' A' ' 581' ' ' ALA . 63.1 m-85 -76.47 -13.19 60.12 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 113.146 0.795 . . . . 1.03 113.146 -173.872 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 577' ' ' GLN . . . . . . . . . . . . . 18.2 mm-40 -71.18 -40.73 71.05 Favored 'General case' 0 C--N 1.323 -0.55 0 C-N-CA 120.449 -0.5 . . . . 2.14 110.029 170.287 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 578' ' ' GLU . . . . . . . . . . . . . 18.8 mm-40 -87.11 -38.9 16.05 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.327 -0.397 . . . . 2.14 111.383 178.498 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 579' ' ' LYS . . . . . 0.45 ' O ' ' HA ' ' A' ' 576' ' ' TYR . 97.6 mttt -136.83 91.31 15.49 Favored Pre-proline 0 C--N 1.327 -0.407 0 N-CA-C 109.947 -0.39 . . . . 2.95 109.947 177.354 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 580' ' ' PRO . . . . . . . . . . . . . 36.6 Cg_endo -66.99 162.02 39.95 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.893 2.395 . . . . 0.51 112.542 -179.447 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 581' ' ' ALA . . . . . 0.537 ' HB3' ' CE1' ' A' ' 576' ' ' TYR . . . -90.25 129.06 36.54 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 109.691 -0.485 . . . . 1.09 109.691 179.717 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 582' ' ' ILE . . . . . . . . . . . . . 52.7 mt -98.71 119.9 47.33 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.703 0 CA-C-N 116.241 -0.436 . . . . 1.19 111.246 -172.515 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 583' ' ' ILE . . . . . . . . . . . . . 37.9 mm -123.45 112.17 32.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 N-CA-C 109.463 -0.569 . . . . 1.21 109.463 173.865 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 584' ' ' ASN . . . . . . . . . . . . . 80.3 m-20 57.58 33.68 23.57 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-O 121.342 0.591 . . . . 1.34 110.38 -178.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 585' ' ' GLY . . . . . . . . . . . . . . . 84.91 1.89 88.69 Favored Glycine 0 N--CA 1.444 -0.781 0 CA-C-N 115.398 -0.819 . . . . 0.51 113.499 179.624 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 586' ' ' GLU . . . . . . . . . . . . . 27.0 mm-40 -101.76 125.81 48.5 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 117.144 0.472 . . . . 1.79 110.806 -179.459 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 587' ' ' LYS . . . . . . . . . . . . . 50.8 mttp -74.28 117.57 16.24 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.494 -0.775 . . . . 2.25 110.989 176.757 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 588' ' ' LEU . . . . . 0.443 HD13 HD13 ' A' ' 540' ' ' LEU . 47.2 mt -79.57 134.17 36.47 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 109.991 -0.374 . . . . 1.03 109.991 176.817 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 589' ' ' LEU . . . . . 0.578 ' HB3' ' SG ' ' A' ' 525' ' ' CYS . 59.2 tp -111.59 111.36 22.31 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 115.991 -0.55 . . . . 1.13 110.088 -178.32 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 590' ' ' ILE . . . . . 0.526 HD13 ' CE2' ' A' ' 576' ' ' TYR . 17.4 mt -100.85 126.26 54.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 115.891 -0.595 . . . . 1.08 110.258 178.943 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 591' ' ' ARG . . . . . . . . . . . . . 71.3 mtp180 -145.82 159.7 42.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.25 -0.432 . . . . 3.18 109.89 -176.196 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 592' ' ' MET . . . . . . . . . . . . . 63.6 mtt -82.61 147.83 28.35 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 109.437 -0.579 . . . . 1.13 109.437 179.194 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 593' ' ' SER . . . . . . . . . . . . . 33.2 t -87.27 136.97 32.73 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.526 0.679 . . . . 1.65 111.57 -174.53 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 594' ' ' THR . . . . . . . . . . . . . 19.2 p -90.4 -14.19 33.46 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 114.861 -1.063 . . . . 1.14 110.943 177.619 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 595' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -102.99 -27.96 12.3 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 112.468 0.544 . . . . 3.37 112.468 -170.228 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 596' ' ' TYR . . . . . . . . . . . . . 53.4 m-85 -119.48 141.02 49.54 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.822 0.344 . . . . 1.15 111.785 -177.344 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 597' ' ' LYS . . . . . 0.481 ' N ' ' HD2' ' A' ' 597' ' ' LYS . 0.3 OUTLIER -108.76 -8.23 15.4 Favored 'General case' 0 CA--C 1.518 -0.287 0 CA-C-N 115.8 -0.637 . . . . 2.63 110.532 174.638 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 598' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 -146.43 148.92 32.79 Favored 'General case' 0 N--CA 1.449 -0.521 0 CA-C-O 121.11 0.481 . . . . 0.95 110.498 178.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 599' ' ' LEU . . . . . 0.499 HD21 HG13 ' A' ' 521' ' ' VAL . 37.8 mt -105.3 127.88 53.17 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.566 -0.743 . . . . 1.18 111.008 175.592 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 600' ' ' GLN . . . . . 0.404 HE21 ' HB3' ' A' ' 600' ' ' GLN . 0.8 OUTLIER -111.86 131.13 55.56 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.605 -0.725 . . . . 1.65 110.261 176.594 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 601' ' ' LEU . . . . . 0.581 ' HB3' ' O ' ' A' ' 603' ' ' LYS . 62.5 mt -83.33 101.51 11.36 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.131 -0.486 . . . . 1.23 111.266 -179.348 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 602' ' ' LYS . . . . . . . . . . . . . 28.3 mmtp -64.76 -26.81 68.51 Favored 'General case' 0 C--N 1.331 -0.223 0 N-CA-C 109.115 -0.698 . . . . 2.22 109.115 168.805 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 603' ' ' LYS . . . . . 0.581 ' O ' ' HB3' ' A' ' 601' ' ' LEU . 75.9 mmtt . . . . . 0 C--N 1.325 -0.483 0 CA-C-N 114.859 -1.064 . . . . 2.26 108.7 178.501 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 607' ' ' ASN . . . . . . . . . . . . . 23.8 t-20 . . . . . 0 C--O 1.232 0.141 0 CA-C-O 121.161 0.505 . . . . 1.8 111.086 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 608' ' ' VAL . . . . . 0.552 HG11 ' HB ' ' A' ' 547' ' ' VAL . 72.1 t -91.57 -21.07 6.53 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 CA-C-N 115.578 -0.737 . . . . 1.07 110.933 -176.526 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 609' ' ' ALA . . . . . . . . . . . . . . . -60.46 -35.64 76.35 Favored 'General case' 0 C--O 1.237 0.407 0 CA-C-O 121.381 0.61 . . . . 1.27 110.801 176.042 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 610' ' ' ALA . . . . . . . . . . . . . . . -65.02 -27.29 68.71 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.906 -0.588 . . . . 1.14 110.263 176.879 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 611' ' ' ILE . . . . . . . . . . . . . 74.9 mt -71.26 -30.55 40.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 115.819 -0.628 . . . . 1.03 109.534 178.36 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 612' ' ' ILE . . . . . . . . . . . . . 68.2 mt -60.9 -44.34 97.66 Favored 'Isoleucine or valine' 0 C--O 1.231 0.099 0 N-CA-C 109.573 -0.529 . . . . 1.11 109.573 172.526 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 613' ' ' GLN . . . . . . . . . . . . . 22.9 mt-30 -62.84 -32.29 73.47 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.31 0.576 . . . . 3.02 110.128 177.544 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 614' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -65.99 -44.55 84.5 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.162 -0.927 . . . . 1.95 110.23 177.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 615' ' ' ILE . . . . . 0.463 ' CD1' ' HB2' ' A' ' 542' ' ' LEU . 93.6 mt -62.35 -36.15 73.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.087 -0.506 . . . . 1.08 110.738 177.314 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 616' ' ' HIS . . . . . . . . . . . . . 11.9 m-70 -64.3 -34.87 79.12 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.337 -0.392 . . . . 1.73 110.605 177.583 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 617' ' ' SER . . . . . . . . . . . . . 27.3 m . . . . . 0 C--N 1.328 -0.341 0 CA-C-O 120.917 0.389 . . . . 1.77 110.947 177.712 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 520' ' ' ARG . . . . . . . . . . . . . 17.2 mtm-85 . . . . . 0 N--CA 1.452 -0.354 0 CA-C-O 121.326 0.584 . . . . 2.86 111.451 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 521' ' ' VAL . . . . . 0.507 HG13 HD22 ' A' ' 599' ' ' LEU . 92.3 t -117.38 121.75 68.32 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.697 0 CA-C-N 115.253 -0.885 . . . . 1.14 109.947 165.646 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 522' ' ' VAL . . . . . 0.559 ' HB ' ' O ' ' A' ' 561' ' ' LEU . 25.7 t -120.13 121.15 65.08 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.91 0 N-CA-C 107.856 -1.164 . . . . 1.05 107.856 176.364 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 523' ' ' HIS . . . . . . . . . . . . . 43.0 t-80 -105.84 132.17 52.29 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 121.283 0.563 . . . . 0.57 110.896 -171.008 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 524' ' ' ILE . . . . . 0.425 HG12 HG12 ' A' ' 590' ' ' ILE . 32.6 mt -114.02 141.83 28.78 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.944 0 N-CA-C 108.317 -0.994 . . . . 1.06 108.317 177.731 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 525' ' ' CYS . . . . . 0.593 ' SG ' ' HB3' ' A' ' 589' ' ' LEU . 5.4 p -142.18 167.65 21.61 Favored 'General case' 0 C--N 1.314 -0.95 0 C-N-CA 120.416 -0.514 . . . . 1.75 111.583 -178.117 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 526' ' ' ASN . . . . . 0.472 ' HB2' ' O ' ' A' ' 525' ' ' CYS . 86.8 m-20 86.14 28.65 0.04 OUTLIER 'General case' 0 N--CA 1.468 0.427 0 O-C-N 124.917 1.386 . . . . 0.28 110.189 176.87 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 527' ' ' LEU . . . . . 0.412 ' HB3' ' SG ' ' A' ' 532' ' ' CYS . 81.1 mt -89.88 122.61 67.73 Favored Pre-proline 0 C--N 1.323 -0.557 0 N-CA-C 108.438 -0.949 . . . . 1.04 108.438 176.455 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 528' ' ' PRO . . . . . . . . . . . . . 11.9 Cg_exo -70.56 133.66 24.6 Favored 'Trans proline' 0 N--CA 1.456 -0.696 0 C-N-CA 121.238 1.292 . . . . 0.5 111.305 179.858 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 529' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -65.75 129.5 39.99 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 109.278 -0.638 . . . . 1.6 109.278 177.222 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 530' ' ' GLY . . . . . . . . . . . . . . . 97.17 3.03 59.01 Favored Glycine 0 N--CA 1.441 -0.973 0 C-N-CA 120.249 -0.976 . . . . 0.52 110.743 -172.46 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 531' ' ' SER . . . . . . . . . . . . . 22.7 t -146.31 7.84 1.03 Allowed 'General case' 0 N--CA 1.451 -0.409 0 CA-C-O 121.202 0.525 . . . . 1.49 109.767 -179.686 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 532' ' ' CYS . . . . . 0.442 ' HB2' ' HD2' ' A' ' 554' ' ' LYS . 59.7 m -89.0 84.2 6.6 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 108.773 -0.825 . . . . 0.25 108.773 -179.472 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 533' ' ' THR . . . . . 0.47 ' O ' HG21 ' A' ' 537' ' ' VAL . 40.8 p -95.69 151.61 19.2 Favored 'General case' 0 N--CA 1.445 -0.703 0 C-N-CA 119.888 -0.725 . . . . 1.1 109.177 -177.768 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 534' ' ' GLU . . . . . 0.504 ' HA ' HD12 ' A' ' 552' ' ' LEU . 51.8 mt-10 -66.01 -34.46 78.13 Favored 'General case' 0 C--N 1.319 -0.756 0 N-CA-C 109.019 -0.734 . . . . 1.64 109.019 176.487 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 535' ' ' ASN . . . . . . . . . . . . . 4.9 m-20 -64.82 -48.94 72.59 Favored 'General case' 0 C--O 1.212 -0.874 0 CA-C-N 114.738 -1.119 . . . . 1.86 111.735 -177.088 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 536' ' ' ASP . . . . . . . . . . . . . 25.7 m-20 -69.32 -44.66 71.28 Favored 'General case' 0 N--CA 1.475 0.808 0 CA-C-N 118.602 0.637 . . . . 0.61 111.452 -172.723 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 537' ' ' VAL . . . . . 0.47 HG21 ' O ' ' A' ' 533' ' ' THR . 38.7 t -60.49 -48.05 90.08 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-N 115.178 -0.919 . . . . 1.03 109.914 -178.731 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 538' ' ' ILE . . . . . 0.64 HD12 ' CG ' ' A' ' 550' ' ' TYR . 70.6 mt -68.99 -33.37 58.61 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.744 0 CA-C-N 115.35 -0.841 . . . . 1.06 111.659 176.371 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 539' ' ' ASN . . . . . . . . . . . . . 11.6 m120 -57.82 -27.74 63.43 Favored 'General case' 0 CA--C 1.511 -0.536 0 N-CA-C 109.932 -0.395 . . . . 0.25 109.932 176.264 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 540' ' ' LEU . . . . . 0.403 HD13 HD11 ' A' ' 588' ' ' LEU . 87.6 mt -75.37 -40.81 57.62 Favored 'General case' 0 N--CA 1.445 -0.722 0 N-CA-C 109.796 -0.446 . . . . 1.11 109.796 175.407 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 541' ' ' GLY . . . . . 0.506 ' HA2' ' SD ' ' A' ' 572' ' ' MET . . . -68.81 -53.51 19.3 Favored Glycine 0 CA--C 1.526 0.73 0 N-CA-C 115.688 1.035 . . . . 0.19 115.688 -179.713 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 542' ' ' LEU . . . . . 0.481 ' HA ' ' O ' ' A' ' 545' ' ' GLY . 40.4 mt -55.28 -45.94 99.77 Favored Pre-proline 0 N--CA 1.472 0.63 0 N-CA-C 114.97 1.47 . . . . 1.06 114.97 -168.039 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 543' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -60.7 -25.53 81.16 Favored 'Trans proline' 0 C--N 1.347 0.46 0 C-N-CA 122.207 1.938 . . . . 0.25 113.366 -178.751 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 544' ' ' PHE . . . . . 0.431 ' HB2' ' HE1' ' A' ' 572' ' ' MET . 99.2 m-85 -98.77 -15.82 19.16 Favored 'General case' 0 C--N 1.331 -0.233 0 O-C-N 122.078 -0.388 . . . . 0.38 111.378 177.54 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 545' ' ' GLY . . . . . 0.481 ' O ' ' HA ' ' A' ' 542' ' ' LEU . . . 177.34 151.67 9.34 Favored Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 120.894 -0.67 . . . . 0.44 112.028 -179.668 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 546' ' ' LYS . . . . . . . . . . . . . 39.7 ttmt -66.33 128.39 35.97 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 120.974 0.416 . . . . 2.62 110.893 -178.308 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 547' ' ' VAL . . . . . 0.559 ' HB ' HG11 ' A' ' 608' ' ' VAL . 69.6 t -86.8 115.37 27.56 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 CA-C-N 115.87 -0.604 . . . . 1.05 110.341 178.879 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 548' ' ' THR . . . . . . . . . . . . . 25.5 p -93.91 -35.05 12.86 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.948 -0.569 . . . . 1.11 111.492 -179.51 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 549' ' ' ASN . . . . . 0.438 HD21 ' HG ' ' A' ' 601' ' ' LEU . 17.6 m120 -143.83 153.36 42.28 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.843 -0.617 . . . . 1.49 110.109 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 550' ' ' TYR . . . . . 0.64 ' CG ' HD12 ' A' ' 538' ' ' ILE . 6.1 p90 -156.09 151.43 26.76 Favored 'General case' 0 C--N 1.317 -0.809 0 N-CA-C 109.544 -0.539 . . . . 0.96 109.544 178.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 551' ' ' ILE . . . . . 0.458 ' HB ' ' HB2' ' A' ' 560' ' ' PHE . 43.1 mt -142.64 124.32 12.38 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 N-CA-C 108.619 -0.882 . . . . 1.1 108.619 -178.382 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 552' ' ' LEU . . . . . 0.504 HD12 ' HA ' ' A' ' 534' ' ' GLU . 20.2 mt -107.58 120.76 43.11 Favored 'General case' 0 C--N 1.317 -0.841 0 C-N-CA 120.388 -0.525 . . . . 1.17 111.282 -177.055 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 553' ' ' MET . . . . . 0.441 ' HE2' ' HB2' ' A' ' 558' ' ' GLN . 72.1 mtm -111.68 81.65 1.49 Allowed 'General case' 0 C--N 1.324 -0.503 0 C-N-CA 119.831 -0.748 . . . . 1.55 109.224 176.496 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 554' ' ' LYS . . . . . 0.442 ' HD2' ' HB2' ' A' ' 532' ' ' CYS . 1.0 OUTLIER -54.07 -28.71 40.61 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.192 -0.913 . . . . 1.63 111.968 173.841 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 555' ' ' SER . . . . . . . . . . . . . 63.6 p -69.13 -42.97 75.3 Favored 'General case' 0 N--CA 1.451 -0.419 0 CA-C-O 120.842 0.353 . . . . 0.7 111.159 -173.053 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 556' ' ' THR . . . . . 0.446 ' O ' ' HG3' ' A' ' 558' ' ' GLN . 41.6 p -98.37 4.72 48.56 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.359 -0.382 . . . . 1.14 111.815 -177.352 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 557' ' ' ASN . . . . . 0.463 ' N ' HD21 ' A' ' 557' ' ' ASN . 0.9 OUTLIER 59.45 39.13 22.3 Favored 'General case' 0 N--CA 1.468 0.473 0 CA-C-O 121.534 0.683 . . . . 2.03 110.259 -177.177 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 558' ' ' GLN . . . . . 0.446 ' HG3' ' O ' ' A' ' 556' ' ' THR . 76.4 mt-30 -140.99 164.35 30.51 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.177 -0.92 . . . . 1.24 109.861 -176.063 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 559' ' ' ALA . . . . . . . . . . . . . . . -158.06 165.48 34.94 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 121.2 0.524 . . . . 1.04 111.37 -179.692 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 560' ' ' PHE . . . . . 0.458 ' HB2' ' HB ' ' A' ' 551' ' ' ILE . 90.9 m-85 -120.28 145.96 46.56 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.717 -0.674 . . . . 0.46 110.754 178.057 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 561' ' ' LEU . . . . . 0.559 ' O ' ' HB ' ' A' ' 522' ' ' VAL . 50.7 tp -137.45 118.76 14.63 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.876 -0.602 . . . . 1.06 110.314 -178.659 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 562' ' ' GLU . . . . . 0.407 ' CB ' ' HB2' ' A' ' 549' ' ' ASN . 0.1 OUTLIER -104.07 136.43 43.72 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.15 -0.477 . . . . 2.09 109.834 176.67 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 563' ' ' MET . . . . . 0.65 ' SD ' ' HA ' ' A' ' 569' ' ' ALA . 26.7 mtt -121.27 163.74 18.09 Favored 'General case' 0 C--N 1.316 -0.889 0 CA-C-N 115.61 -0.723 . . . . 1.06 109.644 -171.578 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 564' ' ' ALA . . . . . . . . . . . . . . . -63.05 -43.46 98.57 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 118.398 0.545 . . . . 1.25 111.633 -172.866 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 565' ' ' TYR . . . . . . . . . . . . . 99.7 m-85 -131.58 158.75 40.17 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.298 -0.41 . . . . 1.39 110.654 -178.059 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 566' ' ' THR . . . . . . . . . . . . . 8.1 t -66.71 -27.26 67.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.773 -0.648 . . . . 1.24 110.349 -178.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 567' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -57.13 -32.43 66.34 Favored 'General case' 0 C--O 1.232 0.135 0 CA-C-N 115.783 -0.644 . . . . 0.89 110.965 176.233 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 568' ' ' ALA . . . . . 0.668 ' O ' ' HG3' ' A' ' 572' ' ' MET . . . -72.92 -42.77 63.16 Favored 'General case' 0 N--CA 1.45 -0.447 0 CA-C-N 116.031 -0.531 . . . . 1.08 110.029 -177.438 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 569' ' ' ALA . . . . . 0.65 ' HA ' ' SD ' ' A' ' 563' ' ' MET . . . -62.74 -46.03 89.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.937 -0.574 . . . . 1.0 111.404 -176.231 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 570' ' ' GLN . . . . . . . . . . . . . 18.0 pt20 -69.4 -35.56 75.89 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.198 -0.455 . . . . 1.72 110.679 -178.236 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 571' ' ' ALA . . . . . . . . . . . . . . . -64.95 -43.47 92.58 Favored 'General case' 0 N--CA 1.455 -0.2 0 CA-C-N 116.273 -0.422 . . . . 1.08 110.931 178.716 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 572' ' ' MET . . . . . 0.668 ' HG3' ' O ' ' A' ' 568' ' ' ALA . 29.5 mtt -67.25 -44.03 80.43 Favored 'General case' 0 CA--C 1.516 -0.337 0 CA-C-N 116.385 -0.37 . . . . 1.05 110.481 179.881 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 573' ' ' VAL . . . . . 0.575 HG22 ' O ' ' A' ' 569' ' ' ALA . 82.3 t -58.2 -47.37 87.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 N-CA-C 110.004 -0.369 . . . . 1.08 110.004 179.778 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 574' ' ' GLN . . . . . . . . . . . . . 28.4 mm-40 -61.6 -36.94 82.16 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.534 -0.303 . . . . 2.79 111.208 179.256 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 575' ' ' TYR . . . . . . . . . . . . . 72.2 t80 -68.02 -53.07 28.56 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.303 -0.408 . . . . 1.09 110.756 179.24 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 576' ' ' TYR . . . . . 0.459 ' CD2' HD11 ' A' ' 590' ' ' ILE . 97.1 m-85 -74.81 -14.29 60.68 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 112.629 0.603 . . . . 1.03 112.629 -176.139 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 577' ' ' GLN . . . . . 0.523 ' HG2' ' O ' ' A' ' 573' ' ' VAL . 15.9 mm-40 -65.76 -42.9 90.32 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 109.66 -0.496 . . . . 2.14 109.66 169.895 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 578' ' ' GLU . . . . . . . . . . . . . 24.3 mm-40 -90.89 -39.08 12.5 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.443 -0.799 . . . . 2.14 111.946 -177.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 579' ' ' LYS . . . . . . . . . . . . . 64.3 mttp -129.77 86.97 53.7 Favored Pre-proline 0 C--N 1.325 -0.473 0 CA-C-O 120.82 0.343 . . . . 2.95 110.286 178.195 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 580' ' ' PRO . . . . . . . . . . . . . 55.9 Cg_endo -70.78 161.25 46.73 Favored 'Trans proline' 0 C--O 1.235 0.341 0 C-N-CA 122.656 2.237 . . . . 0.51 112.083 179.675 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 581' ' ' ALA . . . . . . . . . . . . . . . -93.14 136.55 33.3 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 109.127 -0.694 . . . . 1.09 109.127 178.835 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 582' ' ' ILE . . . . . . . . . . . . . 55.2 mt -105.84 124.87 61.24 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.787 0 C-N-CA 120.811 -0.355 . . . . 1.19 111.177 -175.523 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 583' ' ' ILE . . . . . . . . . . . . . 28.2 mm -129.77 114.21 29.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 116.069 -0.514 . . . . 1.21 109.869 177.33 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 584' ' ' ASN . . . . . . . . . . . . . 93.6 m-20 55.24 34.73 23.38 Favored 'General case' 0 N--CA 1.468 0.444 0 CA-C-O 121.202 0.525 . . . . 1.34 111.209 -178.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 585' ' ' GLY . . . . . . . . . . . . . . . 86.59 0.56 86.19 Favored Glycine 0 N--CA 1.448 -0.553 0 CA-C-N 115.682 -0.69 . . . . 0.51 113.414 177.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 586' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -104.09 124.26 48.73 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 117.199 0.5 . . . . 1.79 110.093 178.55 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 587' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -78.64 123.65 27.34 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.097 0.475 . . . . 2.25 111.038 174.75 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 588' ' ' LEU . . . . . 0.403 HD11 HD13 ' A' ' 540' ' ' LEU . 39.8 mt -80.55 137.7 36.43 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.619 -0.719 . . . . 1.03 110.397 -177.279 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 589' ' ' LEU . . . . . 0.593 ' HB3' ' SG ' ' A' ' 525' ' ' CYS . 28.6 tp -112.83 111.81 22.85 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.955 -0.566 . . . . 1.13 110.531 -177.781 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 590' ' ' ILE . . . . . 0.459 HD11 ' CD2' ' A' ' 576' ' ' TYR . 18.9 mt -103.03 118.7 50.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 N-CA-C 110.15 -0.315 . . . . 1.08 110.15 176.375 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 591' ' ' ARG . . . . . 0.403 ' HE ' HD12 ' A' ' 589' ' ' LEU . 89.6 mtt180 -145.87 165.84 27.71 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 109.852 -0.425 . . . . 3.18 109.852 -179.472 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 592' ' ' MET . . . . . . . . . . . . . 57.4 mtt -81.0 135.93 35.93 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 109.892 -0.41 . . . . 1.13 109.892 -179.046 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 593' ' ' SER . . . . . . . . . . . . . 47.6 t -73.32 135.94 44.43 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.38 0.609 . . . . 1.65 111.171 -179.283 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 594' ' ' THR . . . . . . . . . . . . . 18.7 p -91.11 -14.26 31.53 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 114.512 -1.222 . . . . 1.14 111.518 178.004 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 595' ' ' ARG . . . . . . . . . . . . . 62.5 mtp180 -100.77 -29.9 12.01 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 112.58 0.585 . . . . 3.37 112.58 -169.167 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 596' ' ' TYR . . . . . . . . . . . . . 95.9 m-85 -128.0 147.34 50.5 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 120.908 0.385 . . . . 1.15 111.744 -177.149 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 597' ' ' LYS . . . . . 0.445 ' N ' ' HD2' ' A' ' 597' ' ' LYS . 9.8 mptt -109.65 -10.06 14.84 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.744 -0.662 . . . . 2.63 112.671 179.84 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 598' ' ' GLU . . . . . . . . . . . . . 45.9 tt0 -144.01 149.6 36.96 Favored 'General case' 0 C--N 1.329 -0.295 0 C-N-CA 120.253 -0.579 . . . . 0.95 111.156 178.37 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 599' ' ' LEU . . . . . 0.507 HD22 HG13 ' A' ' 521' ' ' VAL . 64.0 mt -110.41 126.85 54.73 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.302 -0.863 . . . . 1.18 110.934 177.093 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 600' ' ' GLN . . . . . . . . . . . . . 46.0 tt0 -113.8 137.14 52.06 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.693 -0.685 . . . . 1.65 110.222 177.091 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 601' ' ' LEU . . . . . 0.438 ' HG ' HD21 ' A' ' 549' ' ' ASN . 70.3 mt -90.24 98.14 11.6 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.201 0.524 . . . . 1.23 111.123 177.685 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 602' ' ' LYS . . . . . . . . . . . . . 93.7 mttt -81.05 -16.31 53.61 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.585 0.707 . . . . 2.22 109.198 173.794 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 603' ' ' LYS . . . . . . . . . . . . . 75.5 mmtt . . . . . 0 C--N 1.324 -0.519 0 CA-C-N 115.009 -0.996 . . . . 2.26 109.751 179.978 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 607' ' ' ASN . . . . . . . . . . . . . 4.1 m-20 . . . . . 0 CA--C 1.517 -0.294 0 CA-C-O 121.173 0.511 . . . . 1.8 110.608 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 608' ' ' VAL . . . . . 0.559 HG11 ' HB ' ' A' ' 547' ' ' VAL . 69.6 t -74.22 -20.54 17.44 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.796 0 CA-C-N 115.339 -0.846 . . . . 1.07 110.878 -177.31 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 609' ' ' ALA . . . . . . . . . . . . . . . -60.79 -38.04 83.97 Favored 'General case' 0 C--O 1.242 0.693 0 CA-C-O 121.301 0.572 . . . . 1.27 110.946 175.62 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 610' ' ' ALA . . . . . . . . . . . . . . . -63.28 -29.07 70.46 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.884 -0.598 . . . . 1.14 110.383 177.173 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 611' ' ' ILE . . . . . . . . . . . . . 73.7 mt -71.38 -30.1 38.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 115.902 -0.59 . . . . 1.03 109.781 179.787 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 612' ' ' ILE . . . . . . . . . . . . . 62.1 mt -61.28 -43.48 96.61 Favored 'Isoleucine or valine' 0 C--O 1.234 0.285 0 N-CA-C 109.799 -0.445 . . . . 1.11 109.799 172.789 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 613' ' ' GLN . . . . . . . . . . . . . 19.3 mt-30 -62.79 -34.08 76.52 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.516 0.674 . . . . 3.02 109.593 177.252 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 614' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -65.42 -45.73 82.76 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 114.646 -1.161 . . . . 1.95 110.946 -178.253 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 615' ' ' ILE . . . . . 0.455 ' CD1' ' HB2' ' A' ' 542' ' ' LEU . 85.4 mt -59.49 -47.33 91.21 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.346 -0.388 . . . . 1.08 110.684 179.359 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 616' ' ' HIS . . . . . . . . . . . . . 62.0 m-70 -65.39 -31.9 73.24 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.804 -0.635 . . . . 1.73 111.352 179.386 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 617' ' ' SER . . . . . . . . . . . . . 48.9 m . . . . . 0 N--CA 1.452 -0.346 0 CA-C-N 116.685 -0.234 . . . . 1.77 110.419 177.688 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 520' ' ' ARG . . . . . 0.621 ' NH1' ' HA ' ' A' ' 566' ' ' THR . 19.7 mtm105 . . . . . 0 N--CA 1.449 -0.48 0 CA-C-O 121.286 0.565 . . . . 2.86 111.391 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 521' ' ' VAL . . . . . 0.532 HG11 HD21 ' A' ' 599' ' ' LEU . 72.3 t -116.08 123.93 71.84 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.837 0 CA-C-N 115.057 -0.974 . . . . 1.14 110.253 169.45 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 522' ' ' VAL . . . . . 0.445 ' HB ' ' O ' ' A' ' 561' ' ' LEU . 35.0 t -120.24 121.17 65.02 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.692 0 N-CA-C 107.803 -1.184 . . . . 1.05 107.803 174.526 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 523' ' ' HIS . . . . . . . . . . . . . 50.6 t-80 -107.89 133.49 52.18 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-O 121.085 0.469 . . . . 0.57 110.744 -171.663 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 524' ' ' ILE . . . . . . . . . . . . . 30.4 mt -111.44 140.46 30.75 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.914 0 N-CA-C 108.492 -0.929 . . . . 1.06 108.492 177.073 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 525' ' ' CYS . . . . . 0.486 ' O ' ' HB2' ' A' ' 526' ' ' ASN . 2.3 p -140.95 167.35 22.4 Favored 'General case' 0 C--N 1.312 -1.023 0 C-N-CA 120.453 -0.499 . . . . 1.75 111.323 -175.915 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 526' ' ' ASN . . . . . 0.486 ' HB2' ' O ' ' A' ' 525' ' ' CYS . 91.4 m-20 85.66 29.58 0.05 OUTLIER 'General case' 0 N--CA 1.467 0.384 0 O-C-N 124.922 1.389 . . . . 0.28 110.116 178.28 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 527' ' ' LEU . . . . . 0.485 ' O ' ' HB3' ' A' ' 557' ' ' ASN . 79.7 mt -91.19 122.81 65.84 Favored Pre-proline 0 C--N 1.325 -0.5 0 N-CA-C 108.706 -0.85 . . . . 1.04 108.706 177.056 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 528' ' ' PRO . . . . . . . . . . . . . 12.5 Cg_exo -68.69 135.24 32.56 Favored 'Trans proline' 0 N--CA 1.46 -0.483 0 C-N-CA 121.622 1.548 . . . . 0.5 111.623 -179.161 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 529' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -64.65 131.93 48.31 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 109.691 -0.485 . . . . 1.6 109.691 176.351 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 530' ' ' GLY . . . . . . . . . . . . . . . 89.69 2.76 75.26 Favored Glycine 0 N--CA 1.446 -0.639 0 N-CA-C 110.553 -1.019 . . . . 0.52 110.553 -173.662 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 531' ' ' SER . . . . . . . . . . . . . 20.3 m -141.27 7.06 1.96 Allowed 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.263 0.554 . . . . 1.49 109.699 -178.129 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 532' ' ' CYS . . . . . . . . . . . . . 70.5 m -89.07 89.45 7.97 Favored 'General case' 0 CA--C 1.515 -0.39 0 N-CA-C 108.913 -0.773 . . . . 0.25 108.913 -179.384 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 533' ' ' THR . . . . . 0.565 ' O ' HG23 ' A' ' 537' ' ' VAL . 82.0 p -102.57 149.39 24.46 Favored 'General case' 0 C--N 1.317 -0.816 0 N-CA-C 109.281 -0.636 . . . . 1.1 109.281 -179.212 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 534' ' ' GLU . . . . . 0.505 ' N ' HD12 ' A' ' 552' ' ' LEU . 39.2 mt-10 -68.56 -35.0 76.81 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 121.282 0.563 . . . . 1.64 110.028 -179.638 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 535' ' ' ASN . . . . . 0.418 ' OD1' HG23 ' A' ' 611' ' ' ILE . 66.0 t30 -64.02 -48.74 75.13 Favored 'General case' 0 C--O 1.216 -0.683 0 CA-C-N 115.2 -0.909 . . . . 1.86 111.006 -174.485 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 536' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -69.22 -40.57 77.9 Favored 'General case' 0 N--CA 1.469 0.479 0 CA-C-O 121.112 0.482 . . . . 0.61 111.275 -172.576 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 537' ' ' VAL . . . . . 0.565 HG23 ' O ' ' A' ' 533' ' ' THR . 35.9 t -61.32 -48.03 90.78 Favored 'Isoleucine or valine' 0 C--O 1.242 0.679 0 CA-C-N 115.154 -0.93 . . . . 1.03 109.836 179.791 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 538' ' ' ILE . . . . . 0.67 HD12 ' CG ' ' A' ' 550' ' ' TYR . 64.0 mt -68.16 -33.94 63.7 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.716 0 CA-C-N 115.273 -0.876 . . . . 1.06 111.367 176.313 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 539' ' ' ASN . . . . . 0.444 ' HA ' HD13 ' A' ' 615' ' ' ILE . 11.6 m120 -58.53 -26.05 63.1 Favored 'General case' 0 CA--C 1.515 -0.376 0 CA-C-O 120.637 0.256 . . . . 0.25 110.375 176.571 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 540' ' ' LEU . . . . . 0.429 HD11 HD12 ' A' ' 588' ' ' LEU . 85.4 mt -74.83 -42.5 57.88 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 109.59 -0.522 . . . . 1.11 109.59 173.237 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 541' ' ' GLY . . . . . 0.401 ' CA ' HD22 ' A' ' 561' ' ' LEU . . . -66.53 -52.76 32.52 Favored Glycine 0 CA--C 1.525 0.663 0 N-CA-C 115.817 1.087 . . . . 0.19 115.817 -178.579 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 542' ' ' LEU . . . . . 0.475 ' HB2' ' CD1' ' A' ' 615' ' ' ILE . 41.1 mt -57.67 -48.29 97.47 Favored Pre-proline 0 C--N 1.323 -0.577 0 N-CA-C 114.969 1.47 . . . . 1.06 114.969 -167.901 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 543' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_exo -59.41 -24.08 73.13 Favored 'Trans proline' 0 C--N 1.346 0.405 0 C-N-CA 122.266 1.977 . . . . 0.25 113.587 -176.449 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 544' ' ' PHE . . . . . 0.459 ' HB2' ' HE1' ' A' ' 572' ' ' MET . 95.3 m-85 -100.51 -15.81 17.74 Favored 'General case' 0 C--N 1.331 -0.218 0 C-N-CA 120.845 -0.342 . . . . 0.38 111.265 177.169 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 545' ' ' GLY . . . . . 0.468 ' O ' ' HA ' ' A' ' 542' ' ' LEU . . . 177.31 156.06 15.19 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.709 -0.758 . . . . 0.44 112.318 179.202 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 546' ' ' LYS . . . . . . . . . . . . . 28.1 tptp -66.3 128.13 34.96 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.471 0.653 . . . . 2.62 111.395 -177.24 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 547' ' ' VAL . . . . . 0.521 ' HB ' HG11 ' A' ' 608' ' ' VAL . 70.3 t -89.13 116.23 30.28 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-N 114.965 -1.016 . . . . 1.05 109.925 177.115 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 548' ' ' THR . . . . . . . . . . . . . 22.7 p -94.87 -36.03 11.8 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.037 -0.528 . . . . 1.11 111.724 179.741 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 549' ' ' ASN . . . . . . . . . . . . . 92.1 m-20 -143.29 160.96 39.53 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.217 -0.447 . . . . 1.49 110.558 179.462 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 550' ' ' TYR . . . . . 0.67 ' CG ' HD12 ' A' ' 538' ' ' ILE . 3.3 p90 -161.41 151.72 17.52 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.502 -0.772 . . . . 0.96 109.582 -179.269 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 551' ' ' ILE . . . . . 0.471 ' HB ' ' HB2' ' A' ' 560' ' ' PHE . 50.0 mt -144.28 127.46 11.9 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 N-CA-C 108.289 -1.004 . . . . 1.1 108.289 -176.882 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 552' ' ' LEU . . . . . 0.505 HD12 ' N ' ' A' ' 534' ' ' GLU . 26.7 mt -106.73 119.71 40.06 Favored 'General case' 0 C--N 1.313 -0.998 0 C-N-CA 119.926 -0.71 . . . . 1.17 110.394 179.852 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 553' ' ' MET . . . . . . . . . . . . . 30.7 mtp -101.95 80.44 2.0 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 108.253 -1.017 . . . . 1.55 108.253 -178.7 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 554' ' ' LYS . . . . . . . . . . . . . 26.4 mmtp -53.93 -29.56 42.87 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 114.632 -1.167 . . . . 1.63 113.3 178.318 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 555' ' ' SER . . . . . . . . . . . . . 63.4 p -70.02 -45.08 67.96 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 120.693 0.282 . . . . 0.7 111.758 -174.05 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 556' ' ' THR . . . . . . . . . . . . . 42.6 p -100.27 7.95 44.07 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 112.711 0.634 . . . . 1.14 112.711 -174.753 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 557' ' ' ASN . . . . . 0.485 ' HB3' ' O ' ' A' ' 527' ' ' LEU . 34.6 m-80 59.92 39.59 20.07 Favored 'General case' 0 N--CA 1.468 0.46 0 CA-C-O 121.523 0.678 . . . . 2.03 109.936 -177.575 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 558' ' ' GLN . . . . . . . . . . . . . 76.6 mt-30 -135.83 168.29 19.58 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.344 -0.844 . . . . 1.24 109.908 -175.332 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 559' ' ' ALA . . . . . . . . . . . . . . . -158.66 165.63 33.96 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.19 0.519 . . . . 1.04 111.709 179.187 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 560' ' ' PHE . . . . . 0.471 ' HB2' ' HB ' ' A' ' 551' ' ' ILE . 88.1 m-85 -119.93 144.33 47.5 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.975 -0.557 . . . . 0.46 110.707 176.548 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 561' ' ' LEU . . . . . 0.445 ' O ' ' HB ' ' A' ' 522' ' ' VAL . 56.1 tp -132.62 118.8 19.62 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.709 -0.678 . . . . 1.06 109.955 179.415 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 562' ' ' GLU . . . . . . . . . . . . . 26.5 tt0 -101.0 124.32 46.54 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.428 0.632 . . . . 2.09 110.391 179.353 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 563' ' ' MET . . . . . 0.577 ' HB2' ' NH2' ' A' ' 520' ' ' ARG . 20.9 mtt -110.73 154.62 23.64 Favored 'General case' 0 C--N 1.317 -0.83 0 CA-C-N 115.074 -0.966 . . . . 1.06 108.762 -177.855 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 564' ' ' ALA . . . . . . . . . . . . . . . -73.21 -25.43 60.76 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 123.217 0.323 . . . . 1.25 111.768 -170.708 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 565' ' ' TYR . . . . . . . . . . . . . 68.2 m-85 -139.23 149.34 44.23 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.017 0.437 . . . . 1.39 110.437 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 566' ' ' THR . . . . . 0.621 ' HA ' ' NH1' ' A' ' 520' ' ' ARG . 2.2 t -67.88 -26.35 65.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.632 -0.713 . . . . 1.24 110.497 -177.672 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 567' ' ' GLU . . . . . 0.539 ' HA ' HE21 ' A' ' 570' ' ' GLN . 13.1 pt-20 -56.0 -32.64 64.13 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 115.75 -0.659 . . . . 0.89 111.128 177.518 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 568' ' ' ALA . . . . . 0.674 ' O ' ' HG3' ' A' ' 572' ' ' MET . . . -73.26 -40.81 64.31 Favored 'General case' 0 N--CA 1.45 -0.436 0 CA-C-N 116.294 -0.412 . . . . 1.08 110.798 -176.202 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 569' ' ' ALA . . . . . 0.526 ' CB ' HH12 ' A' ' 520' ' ' ARG . . . -65.55 -44.95 85.22 Favored 'General case' 0 CA--C 1.516 -0.36 0 CA-C-N 116.319 -0.401 . . . . 1.0 111.731 -174.43 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 570' ' ' GLN . . . . . 0.539 HE21 ' HA ' ' A' ' 567' ' ' GLU . 15.7 pt20 -66.97 -35.4 79.88 Favored 'General case' 0 C--N 1.326 -0.421 0 C-N-CA 120.834 -0.346 . . . . 1.72 110.165 -179.176 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 571' ' ' ALA . . . . . . . . . . . . . . . -64.16 -44.05 93.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.118 -0.492 . . . . 1.08 110.758 176.562 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 572' ' ' MET . . . . . 0.674 ' HG3' ' O ' ' A' ' 568' ' ' ALA . 31.7 mtt -66.38 -45.8 78.85 Favored 'General case' 0 CA--C 1.521 -0.155 0 CA-C-N 116.362 -0.381 . . . . 1.05 110.806 179.877 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 573' ' ' VAL . . . . . 0.501 HG22 ' O ' ' A' ' 569' ' ' ALA . 89.8 t -58.54 -46.69 89.79 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.182 0 N-CA-C 110.301 -0.259 . . . . 1.08 110.301 -178.635 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 574' ' ' GLN . . . . . . . . . . . . . 27.9 mt-30 -60.93 -37.98 84.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.031 0.443 . . . . 2.79 110.751 178.584 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 575' ' ' TYR . . . . . . . . . . . . . 92.7 t80 -69.03 -52.86 24.22 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.757 -0.656 . . . . 1.09 110.851 -178.78 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 576' ' ' TYR . . . . . 0.486 ' HA ' ' O ' ' A' ' 579' ' ' LYS . 84.1 m-85 -75.2 -13.48 60.46 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 113.024 0.75 . . . . 1.03 113.024 -175.527 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 577' ' ' GLN . . . . . 0.43 ' HG2' ' O ' ' A' ' 573' ' ' VAL . 13.9 mm-40 -74.07 -41.96 60.92 Favored 'General case' 0 C--N 1.321 -0.634 0 C-N-CA 120.288 -0.565 . . . . 2.14 109.836 171.601 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 578' ' ' GLU . . . . . . . . . . . . . 40.3 mm-40 -84.53 -39.3 18.97 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.325 -0.398 . . . . 2.14 110.731 178.879 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 579' ' ' LYS . . . . . 0.486 ' O ' ' HA ' ' A' ' 576' ' ' TYR . 54.6 mtpt -130.85 91.28 37.35 Favored Pre-proline 0 C--O 1.234 0.289 0 C-N-CA 122.732 0.413 . . . . 2.95 110.324 176.697 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 580' ' ' PRO . . . . . 0.409 ' HB2' ' HB3' ' A' ' 587' ' ' LYS . 57.7 Cg_endo -71.38 162.04 43.66 Favored 'Trans proline' 0 C--O 1.237 0.441 0 C-N-CA 122.667 2.245 . . . . 0.51 112.383 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 581' ' ' ALA . . . . . 0.402 ' O ' ' HG ' ' A' ' 588' ' ' LEU . . . -92.25 135.11 34.27 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 109.567 -0.531 . . . . 1.09 109.567 178.842 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 582' ' ' ILE . . . . . . . . . . . . . 37.9 mt -98.28 124.04 51.15 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 CA-C-O 120.72 0.295 . . . . 1.19 111.137 -175.63 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 583' ' ' ILE . . . . . . . . . . . . . 30.4 mm -130.65 112.54 22.81 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 N-CA-C 109.802 -0.444 . . . . 1.21 109.802 174.158 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 584' ' ' ASN . . . . . 0.517 HD21 ' N ' ' A' ' 584' ' ' ASN . 0.8 OUTLIER 57.79 33.53 23.33 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-N 115.867 -0.606 . . . . 1.34 110.731 177.585 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 585' ' ' GLY . . . . . . . . . . . . . . . 86.15 5.5 82.91 Favored Glycine 0 N--CA 1.444 -0.773 0 CA-C-N 115.415 -0.812 . . . . 0.51 113.82 177.374 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 586' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -113.73 127.75 56.15 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 117.6 0.7 . . . . 1.79 111.093 176.853 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 587' ' ' LYS . . . . . 0.409 ' HB3' ' HB2' ' A' ' 580' ' ' PRO . 40.7 mmtm -73.56 126.96 31.45 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.965 -0.561 . . . . 2.25 110.911 176.627 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 588' ' ' LEU . . . . . 0.429 HD12 HD11 ' A' ' 540' ' ' LEU . 40.0 mt -82.89 139.86 33.19 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.896 0.379 . . . . 1.03 111.173 -179.153 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 589' ' ' LEU . . . . . . . . . . . . . 65.0 tp -113.62 114.19 26.1 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.711 -0.677 . . . . 1.13 110.853 -179.828 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 590' ' ' ILE . . . . . 0.45 HD13 ' CD2' ' A' ' 576' ' ' TYR . 24.9 mt -100.19 128.6 51.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 N-CA-C 110.231 -0.285 . . . . 1.08 110.231 175.886 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 591' ' ' ARG . . . . . . . . . . . . . 80.5 mtp180 -146.36 159.12 43.79 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.404 -0.362 . . . . 3.18 110.629 -176.898 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 592' ' ' MET . . . . . . . . . . . . . 49.7 mtt -83.24 129.28 35.0 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 109.912 -0.403 . . . . 1.13 109.912 176.025 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 593' ' ' SER . . . . . . . . . . . . . 46.3 t -65.24 129.81 41.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.359 0.6 . . . . 1.65 111.651 -177.048 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 594' ' ' THR . . . . . . . . . . . . . 17.0 p -90.09 -11.74 40.44 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-N 114.711 -1.131 . . . . 1.14 111.712 178.738 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 595' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -104.4 -30.81 9.84 Favored 'General case' 0 CA--C 1.531 0.241 0 N-CA-C 113.172 0.805 . . . . 3.37 113.172 -173.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 596' ' ' TYR . . . . . . . . . . . . . 65.1 m-85 -120.27 146.43 46.09 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 112.433 0.531 . . . . 1.15 112.433 -174.875 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 597' ' ' LYS . . . . . 0.514 ' N ' ' HD2' ' A' ' 597' ' ' LYS . 0.1 OUTLIER -109.82 -8.31 14.92 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.352 -0.84 . . . . 2.63 111.979 -178.721 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 598' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 -144.07 151.46 39.67 Favored 'General case' 0 C--N 1.328 -0.351 0 C-N-CA 120.599 -0.44 . . . . 0.95 111.556 -177.515 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 599' ' ' LEU . . . . . 0.532 HD21 HG11 ' A' ' 521' ' ' VAL . 72.1 mt -114.43 122.59 47.1 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.597 -0.728 . . . . 1.18 110.893 175.689 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 600' ' ' GLN . . . . . . . . . . . . . 29.3 tt0 -114.27 123.81 50.46 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.761 -0.654 . . . . 1.65 110.394 178.032 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 601' ' ' LEU . . . . . . . . . . . . . 40.2 mt -78.2 93.63 4.62 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.917 0.389 . . . . 1.23 111.084 179.763 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 602' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -70.74 -23.46 62.43 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.389 0.614 . . . . 2.22 109.885 174.787 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 603' ' ' LYS . . . . . . . . . . . . . 35.2 mmtp . . . . . 0 C--N 1.323 -0.569 0 CA-C-N 115.313 -0.858 . . . . 2.26 109.363 177.479 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 607' ' ' ASN . . . . . . . . . . . . . 37.6 t30 . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.893 0.378 . . . . 1.8 111.016 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 608' ' ' VAL . . . . . 0.521 HG11 ' HB ' ' A' ' 547' ' ' VAL . 96.5 t -77.47 -21.74 14.15 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-N 115.77 -0.65 . . . . 1.07 111.158 -176.295 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 609' ' ' ALA . . . . . . . . . . . . . . . -61.41 -32.54 72.48 Favored 'General case' 0 C--O 1.236 0.392 0 CA-C-O 121.202 0.525 . . . . 1.27 110.859 175.809 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 610' ' ' ALA . . . . . . . . . . . . . . . -64.83 -29.71 70.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.835 -0.62 . . . . 1.14 110.188 176.067 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 611' ' ' ILE . . . . . 0.418 HG23 ' OD1' ' A' ' 535' ' ' ASN . 76.7 mt -71.5 -30.65 39.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 115.371 -0.831 . . . . 1.03 110.018 179.044 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 612' ' ' ILE . . . . . . . . . . . . . 71.2 mt -60.98 -43.61 96.39 Favored 'Isoleucine or valine' 0 C--O 1.235 0.317 0 CA-C-O 121.168 0.508 . . . . 1.11 109.952 172.743 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 613' ' ' GLN . . . . . . . . . . . . . 11.6 mm100 -63.46 -30.3 71.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.491 -0.777 . . . . 3.02 109.872 177.159 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 614' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -71.38 -46.14 61.08 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 114.868 -1.06 . . . . 1.95 110.718 -178.251 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 615' ' ' ILE . . . . . 0.475 ' CD1' ' HB2' ' A' ' 542' ' ' LEU . 88.0 mt -61.01 -47.18 94.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.061 -0.518 . . . . 1.08 110.74 179.365 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 616' ' ' HIS . . . . . . . . . . . . . 40.9 m170 -64.56 -38.05 89.66 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.45 -0.795 . . . . 1.73 111.779 -177.595 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 617' ' ' SER . . . . . . . . . . . . . 20.9 p . . . . . 0 C--N 1.325 -0.47 0 C-N-CA 120.936 -0.306 . . . . 1.77 111.24 -178.803 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 520' ' ' ARG . . . . . . . . . . . . . 45.8 mtm-85 . . . . . 0 N--CA 1.451 -0.418 0 CA-C-O 121.111 0.481 . . . . 2.86 111.105 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 521' ' ' VAL . . . . . 0.483 HG11 HD21 ' A' ' 599' ' ' LEU . 84.0 t -118.26 123.18 71.22 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.71 0 CA-C-N 115.27 -0.877 . . . . 1.14 110.509 170.135 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 522' ' ' VAL . . . . . 0.572 ' HB ' ' O ' ' A' ' 561' ' ' LEU . 24.5 t -120.03 121.87 67.01 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.924 0 N-CA-C 107.9 -1.148 . . . . 1.05 107.9 174.525 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 523' ' ' HIS . . . . . . . . . . . . . 39.8 t-80 -105.75 131.02 53.61 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-O 121.152 0.501 . . . . 0.57 110.276 -174.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 524' ' ' ILE . . . . . . . . . . . . . 40.3 mt -110.38 138.88 36.32 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.039 0 N-CA-C 108.372 -0.973 . . . . 1.06 108.372 178.405 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 525' ' ' CYS . . . . . 0.468 ' O ' ' HB2' ' A' ' 526' ' ' ASN . 3.8 p -138.24 163.54 31.48 Favored 'General case' 0 C--N 1.31 -1.115 0 C-N-CA 120.638 -0.425 . . . . 1.75 111.419 -175.709 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 526' ' ' ASN . . . . . 0.468 ' HB2' ' O ' ' A' ' 525' ' ' CYS . 90.4 m-20 83.45 27.08 0.1 Allowed 'General case' 0 CA--C 1.516 -0.341 0 O-C-N 124.766 1.292 . . . . 0.28 110.561 175.813 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 527' ' ' LEU . . . . . 0.483 ' O ' ' HB3' ' A' ' 557' ' ' ASN . 90.3 mt -82.14 125.32 77.36 Favored Pre-proline 0 C--N 1.325 -0.465 0 N-CA-C 108.352 -0.981 . . . . 1.04 108.352 176.684 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 528' ' ' PRO . . . . . 0.418 ' HB3' ' OE2' ' A' ' 586' ' ' GLU . 37.3 Cg_endo -74.85 134.59 18.28 Favored 'Trans proline' 0 N--CA 1.457 -0.675 0 C-N-CA 121.324 1.35 . . . . 0.5 112.469 -179.09 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 529' ' ' GLU . . . . . . . . . . . . . 7.7 tp10 -65.14 139.68 58.71 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.629 -0.714 . . . . 1.6 109.525 175.826 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 530' ' ' GLY . . . . . . . . . . . . . . . 91.13 4.3 68.98 Favored Glycine 0 N--CA 1.443 -0.892 0 N-CA-C 110.806 -0.918 . . . . 0.52 110.806 -173.21 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 531' ' ' SER . . . . . 0.402 ' HB3' ' HG2' ' A' ' 528' ' ' PRO . 39.3 t -156.48 9.05 0.22 Allowed 'General case' 0 N--CA 1.449 -0.51 0 CA-C-O 120.867 0.365 . . . . 1.49 110.467 -174.012 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 532' ' ' CYS . . . . . . . . . . . . . 74.8 m -89.25 81.2 6.73 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 109.229 -0.656 . . . . 0.25 109.229 178.658 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 533' ' ' THR . . . . . 0.44 ' O ' HG21 ' A' ' 537' ' ' VAL . 27.2 p -104.15 153.7 20.63 Favored 'General case' 0 N--CA 1.445 -0.685 0 C-N-CA 119.575 -0.85 . . . . 1.1 109.228 -178.5 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 534' ' ' GLU . . . . . 0.532 ' HA ' HD13 ' A' ' 552' ' ' LEU . 20.7 mp0 -63.27 -32.62 74.08 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-O 121.259 0.552 . . . . 1.64 109.756 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 535' ' ' ASN . . . . . . . . . . . . . 63.6 t30 -62.67 -48.88 77.38 Favored 'General case' 0 C--O 1.216 -0.663 0 CA-C-N 115.177 -0.92 . . . . 1.86 111.133 -178.205 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 536' ' ' ASP . . . . . . . . . . . . . 65.2 m-20 -68.86 -46.11 69.33 Favored 'General case' 0 N--CA 1.472 0.66 0 CA-C-O 121.648 0.737 . . . . 0.61 110.77 -171.588 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 537' ' ' VAL . . . . . 0.44 HG21 ' O ' ' A' ' 533' ' ' THR . 26.6 t -60.18 -48.41 88.19 Favored 'Isoleucine or valine' 0 C--O 1.241 0.644 0 CA-C-N 114.339 -1.301 . . . . 1.03 109.888 -177.298 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 538' ' ' ILE . . . . . 0.596 HD13 ' CG ' ' A' ' 550' ' ' TYR . 59.2 mt -69.33 -34.19 61.44 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.764 0 CA-C-N 115.274 -0.876 . . . . 1.06 111.917 177.107 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 539' ' ' ASN . . . . . 0.471 ' HA ' HD11 ' A' ' 615' ' ' ILE . 10.2 m120 -59.02 -26.48 64.59 Favored 'General case' 0 CA--C 1.515 -0.403 0 O-C-N 122.227 -0.296 . . . . 0.25 110.641 177.601 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 540' ' ' LEU . . . . . 0.546 ' HB3' ' HH ' ' A' ' 576' ' ' TYR . 89.0 mt -75.67 -42.17 51.99 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 109.719 -0.474 . . . . 1.11 109.719 172.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 541' ' ' GLY . . . . . 0.494 ' HA2' ' SD ' ' A' ' 572' ' ' MET . . . -63.96 -52.07 48.02 Favored Glycine 0 CA--C 1.523 0.547 0 N-CA-C 115.36 0.904 . . . . 0.19 115.36 -179.665 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 542' ' ' LEU . . . . . 0.411 ' HB2' ' CD1' ' A' ' 615' ' ' ILE . 74.7 mt -56.15 -45.38 99.92 Favored Pre-proline 0 C--N 1.322 -0.608 0 N-CA-C 114.917 1.451 . . . . 1.06 114.917 -168.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 543' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_exo -60.23 -26.99 83.97 Favored 'Trans proline' 0 C--N 1.347 0.463 0 C-N-CA 122.067 1.845 . . . . 0.25 113.676 -178.129 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 544' ' ' PHE . . . . . 0.514 ' HB2' ' HE1' ' A' ' 572' ' ' MET . 90.6 m-85 -100.81 -7.22 23.83 Favored 'General case' 0 C--N 1.33 -0.269 0 C-N-CA 120.866 -0.334 . . . . 0.38 111.239 179.67 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 545' ' ' GLY . . . . . . . . . . . . . . . 168.86 151.55 7.26 Favored Glycine 0 N--CA 1.449 -0.463 0 C-N-CA 120.554 -0.832 . . . . 0.44 112.24 -179.374 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 546' ' ' LYS . . . . . . . . . . . . . 37.0 ttpt -66.13 128.78 37.44 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.033 0.444 . . . . 2.62 111.15 -178.119 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 547' ' ' VAL . . . . . 0.544 ' HB ' HG12 ' A' ' 608' ' ' VAL . 72.3 t -88.33 115.68 28.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-N 115.445 -0.798 . . . . 1.05 110.4 177.447 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 548' ' ' THR . . . . . . . . . . . . . 20.5 p -95.2 -36.75 11.33 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.213 -0.448 . . . . 1.11 111.944 179.337 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 549' ' ' ASN . . . . . 0.431 ' HB2' ' CB ' ' A' ' 562' ' ' GLU . 7.3 m-20 -141.09 153.94 45.69 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 109.372 -0.603 . . . . 1.49 109.372 -177.778 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 550' ' ' TYR . . . . . 0.596 ' CG ' HD13 ' A' ' 538' ' ' ILE . 3.3 p90 -159.44 151.99 21.4 Favored 'General case' 0 C--N 1.318 -0.782 0 N-CA-C 109.743 -0.465 . . . . 0.96 109.743 179.583 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 551' ' ' ILE . . . . . 0.434 ' HB ' ' HB2' ' A' ' 560' ' ' PHE . 55.4 mt -143.23 121.65 7.33 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 N-CA-C 107.844 -1.169 . . . . 1.1 107.844 -179.217 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 552' ' ' LEU . . . . . 0.532 HD13 ' HA ' ' A' ' 534' ' ' GLU . 20.6 mt -109.97 126.64 54.14 Favored 'General case' 0 C--N 1.315 -0.92 0 C-N-CA 119.273 -0.971 . . . . 1.17 110.152 -179.768 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 553' ' ' MET . . . . . . . . . . . . . 62.8 mtm -109.29 83.89 1.83 Allowed 'General case' 0 C--N 1.318 -0.763 0 N-CA-C 108.853 -0.795 . . . . 1.55 108.853 -179.615 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 554' ' ' LYS . . . . . . . . . . . . . 21.9 mmtp -53.12 -28.04 23.78 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 114.807 -1.088 . . . . 1.63 112.314 176.277 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 555' ' ' SER . . . . . . . . . . . . . 66.2 p -69.21 -44.35 72.27 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.963 0.411 . . . . 0.7 111.415 -175.316 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 556' ' ' THR . . . . . . . . . . . . . 41.1 p -99.05 2.61 46.32 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.378 -0.373 . . . . 1.14 111.829 -176.462 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 557' ' ' ASN . . . . . 0.483 ' HB3' ' O ' ' A' ' 527' ' ' LEU . 3.4 m-20 57.88 38.51 27.11 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-O 121.796 0.807 . . . . 2.03 110.304 -177.783 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 558' ' ' GLN . . . . . . . . . . . . . 79.8 mt-30 -139.12 164.47 29.7 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 114.848 -1.069 . . . . 1.24 108.717 -178.045 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 559' ' ' ALA . . . . . . . . . . . . . . . -157.74 166.51 32.57 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 121.235 0.541 . . . . 1.04 112.331 -174.741 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 560' ' ' PHE . . . . . 0.434 ' HB2' ' HB ' ' A' ' 551' ' ' ILE . 92.8 m-85 -122.12 146.65 47.02 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.494 -0.776 . . . . 0.46 110.923 176.208 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 561' ' ' LEU . . . . . 0.572 ' O ' ' HB ' ' A' ' 522' ' ' VAL . 50.4 tp -137.37 120.15 16.3 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.572 -0.74 . . . . 1.06 110.1 -178.249 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 562' ' ' GLU . . . . . 0.439 ' HB2' HD13 ' A' ' 599' ' ' LEU . 29.2 tt0 -99.72 129.83 45.88 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.442 0.639 . . . . 2.09 110.386 177.862 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 563' ' ' MET . . . . . 0.642 ' SD ' ' HA ' ' A' ' 569' ' ' ALA . 27.7 mtt -115.95 155.92 27.16 Favored 'General case' 0 C--N 1.316 -0.88 0 CA-C-N 114.999 -1.001 . . . . 1.06 109.399 -176.276 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 564' ' ' ALA . . . . . . . . . . . . . . . -72.85 -18.71 61.42 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 112.394 0.516 . . . . 1.25 112.394 -170.002 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 565' ' ' TYR . . . . . 0.438 ' CB ' ' HG2' ' A' ' 567' ' ' GLU . 95.8 m-85 -145.21 155.91 43.54 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.68 0.276 . . . . 1.39 110.478 -179.534 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 566' ' ' THR . . . . . . . . . . . . . 3.9 t -68.06 -27.82 66.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.985 -0.552 . . . . 1.24 109.804 179.521 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 567' ' ' GLU . . . . . 0.438 ' HG2' ' CB ' ' A' ' 565' ' ' TYR . 12.8 pt-20 -59.51 -32.71 70.54 Favored 'General case' 0 C--O 1.231 0.096 0 CA-C-N 115.523 -0.762 . . . . 0.89 110.895 176.827 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 568' ' ' ALA . . . . . 0.649 ' O ' ' HG3' ' A' ' 572' ' ' MET . . . -73.06 -40.91 64.67 Favored 'General case' 0 N--CA 1.45 -0.425 0 CA-C-N 115.936 -0.575 . . . . 1.08 109.85 -177.729 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 569' ' ' ALA . . . . . 0.642 ' HA ' ' SD ' ' A' ' 563' ' ' MET . . . -64.9 -45.77 84.52 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.662 -0.699 . . . . 1.0 111.066 -177.517 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 570' ' ' GLN . . . . . . . . . . . . . 20.5 pt20 -68.9 -36.68 78.32 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.036 -0.529 . . . . 1.72 110.575 -179.066 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 571' ' ' ALA . . . . . . . . . . . . . . . -63.89 -45.9 87.29 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-N 116.498 -0.319 . . . . 1.08 111.271 -178.549 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 572' ' ' MET . . . . . 0.649 ' HG3' ' O ' ' A' ' 568' ' ' ALA . 29.2 mtt -67.4 -43.36 81.49 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.523 -0.308 . . . . 1.05 110.682 -177.88 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 573' ' ' VAL . . . . . 0.594 ' O ' ' HG3' ' A' ' 577' ' ' GLN . 97.8 t -59.61 -48.04 88.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-O 120.679 0.276 . . . . 1.08 110.283 179.074 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 574' ' ' GLN . . . . . . . . . . . . . 84.5 mm-40 -62.51 -36.83 83.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.274 -0.421 . . . . 2.79 111.148 -179.833 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 575' ' ' TYR . . . . . . . . . . . . . 88.9 t80 -68.21 -52.06 38.51 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.971 -0.559 . . . . 1.09 110.548 -178.894 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 576' ' ' TYR . . . . . 0.557 ' CE1' ' HB3' ' A' ' 581' ' ' ALA . 62.7 m-85 -76.51 -13.23 60.11 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 113.14 0.793 . . . . 1.03 113.14 -176.076 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 577' ' ' GLN . . . . . 0.594 ' HG3' ' O ' ' A' ' 573' ' ' VAL . 92.6 mt-30 -68.29 -42.34 79.65 Favored 'General case' 0 C--N 1.325 -0.471 0 C-N-CA 120.363 -0.535 . . . . 2.14 109.725 171.523 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 578' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -92.28 -37.27 12.75 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.849 -0.614 . . . . 2.14 111.608 -179.865 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 579' ' ' LYS . . . . . 0.419 ' O ' ' HA ' ' A' ' 576' ' ' TYR . 56.4 mtpt -128.76 84.39 63.26 Favored Pre-proline 0 C--N 1.327 -0.404 0 N-CA-C 110.237 -0.283 . . . . 2.95 110.237 175.179 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 580' ' ' PRO . . . . . . . . . . . . . 30.6 Cg_endo -64.44 160.51 39.06 Favored 'Trans proline' 0 C--O 1.234 0.312 0 C-N-CA 122.634 2.222 . . . . 0.51 112.536 -178.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 581' ' ' ALA . . . . . 0.557 ' HB3' ' CE1' ' A' ' 576' ' ' TYR . . . -90.58 134.54 34.31 Favored 'General case' 0 CA--C 1.517 -0.297 0 N-CA-C 109.721 -0.474 . . . . 1.09 109.721 178.631 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 582' ' ' ILE . . . . . . . . . . . . . 23.0 mt -103.93 120.83 54.68 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.741 0 CA-C-N 116.357 -0.383 . . . . 1.19 111.519 -174.669 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 583' ' ' ILE . . . . . . . . . . . . . 29.2 mm -124.7 112.6 32.65 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 N-CA-C 109.473 -0.566 . . . . 1.21 109.473 173.822 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 584' ' ' ASN . . . . . . . . . . . . . 96.0 m-20 59.19 34.03 22.99 Favored 'General case' 0 N--CA 1.468 0.448 0 CA-C-O 121.404 0.621 . . . . 1.34 110.606 -178.32 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 585' ' ' GLY . . . . . . . . . . . . . . . 79.8 4.69 89.52 Favored Glycine 0 N--CA 1.447 -0.586 0 CA-C-N 115.397 -0.82 . . . . 0.51 113.25 179.298 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 586' ' ' GLU . . . . . 0.418 ' OE2' ' HB3' ' A' ' 528' ' ' PRO . 47.3 mt-10 -105.09 125.85 51.43 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.013 0.435 . . . . 1.79 110.534 178.477 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 587' ' ' LYS . . . . . . . . . . . . . 33.1 mmtp -75.66 125.8 29.77 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.427 -0.806 . . . . 2.25 111.385 -178.505 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 588' ' ' LEU . . . . . 0.41 HD11 HD12 ' A' ' 540' ' ' LEU . 41.6 mt -89.41 138.86 31.08 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.993 -0.549 . . . . 1.03 110.734 179.331 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 589' ' ' LEU . . . . . 0.442 ' HB3' ' SG ' ' A' ' 525' ' ' CYS . 58.4 tp -113.99 116.18 28.8 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.252 -0.431 . . . . 1.13 110.881 178.535 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 590' ' ' ILE . . . . . 0.445 HD11 ' CE2' ' A' ' 576' ' ' TYR . 26.6 mt -101.34 127.48 54.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 N-CA-C 109.952 -0.388 . . . . 1.08 109.952 174.801 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 591' ' ' ARG . . . . . . . . . . . . . 64.4 mtt-85 -147.39 165.11 31.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.806 0.336 . . . . 3.18 110.812 -177.156 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 592' ' ' MET . . . . . . . . . . . . . 65.1 mtt -82.26 141.17 33.17 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 109.442 -0.577 . . . . 1.13 109.442 176.413 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 593' ' ' SER . . . . . . . . . . . . . 38.5 t -79.4 135.88 36.81 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.32 0.581 . . . . 1.65 110.733 -178.517 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 594' ' ' THR . . . . . . . . . . . . . 22.9 p -89.91 -18.61 25.8 Favored 'General case' 0 C--N 1.316 -0.858 0 CA-C-N 115.043 -0.98 . . . . 1.14 111.229 -179.285 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 595' ' ' ARG . . . . . . . . . . . . . 97.8 mtt180 -103.23 -27.84 12.26 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.984 -0.553 . . . . 3.37 112.177 -169.409 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 596' ' ' TYR . . . . . . . . . . . . . 32.7 m-85 -116.86 144.13 44.87 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.129 0.49 . . . . 1.15 111.912 -177.875 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 597' ' ' LYS . . . . . 0.4 ' HD2' ' N ' ' A' ' 597' ' ' LYS . 0.6 OUTLIER -106.11 -24.25 12.41 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.486 -0.779 . . . . 2.63 111.357 178.757 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 598' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -142.68 149.11 38.42 Favored 'General case' 0 C--N 1.327 -0.402 0 C-N-CA 120.412 -0.515 . . . . 0.95 111.269 179.243 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 599' ' ' LEU . . . . . 0.483 HD21 HG11 ' A' ' 521' ' ' VAL . 59.7 mt -100.49 121.79 42.15 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.35 -0.841 . . . . 1.18 111.383 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 600' ' ' GLN . . . . . . . . . . . . . 45.0 tt0 -101.42 117.53 35.14 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.832 -0.622 . . . . 1.65 110.072 177.881 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 601' ' ' LEU . . . . . . . . . . . . . 79.2 mt -77.21 95.5 4.32 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 120.661 0.267 . . . . 1.23 110.438 177.185 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 602' ' ' LYS . . . . . . . . . . . . . 52.6 mttp -81.13 -18.61 45.83 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.231 0.539 . . . . 2.22 109.892 175.463 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 603' ' ' LYS . . . . . . . . . . . . . 75.1 mmtt . . . . . 0 C--N 1.323 -0.572 0 CA-C-N 115.448 -0.796 . . . . 2.26 109.928 -179.46 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 607' ' ' ASN . . . . . . . . . . . . . 28.5 t-20 . . . . . 0 N--CA 1.454 -0.239 0 CA-C-O 121.238 0.542 . . . . 1.8 110.514 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 608' ' ' VAL . . . . . 0.544 HG12 ' HB ' ' A' ' 547' ' ' VAL . 98.3 t -81.18 -20.44 11.11 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-N 115.406 -0.815 . . . . 1.07 111.443 -173.598 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 609' ' ' ALA . . . . . . . . . . . . . . . -63.7 -34.93 78.96 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.492 0.663 . . . . 1.27 110.234 175.068 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 610' ' ' ALA . . . . . . . . . . . . . . . -66.48 -27.37 67.74 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.584 -0.735 . . . . 1.14 110.301 176.153 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 611' ' ' ILE . . . . . . . . . . . . . 72.8 mt -70.75 -30.76 43.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 N-CA-C 109.501 -0.555 . . . . 1.03 109.501 177.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 612' ' ' ILE . . . . . . . . . . . . . 66.4 mt -61.25 -39.22 81.82 Favored 'Isoleucine or valine' 0 C--O 1.233 0.198 0 N-CA-C 109.583 -0.525 . . . . 1.11 109.583 171.13 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 613' ' ' GLN . . . . . . . . . . . . . 12.0 mm100 -65.12 -32.55 74.31 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.752 -0.658 . . . . 3.02 110.125 176.912 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 614' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -66.14 -37.96 86.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.568 -0.742 . . . . 1.95 110.403 176.608 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 615' ' ' ILE . . . . . 0.471 HD11 ' HA ' ' A' ' 539' ' ' ASN . 84.1 mt -68.06 -34.34 66.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 115.998 -0.547 . . . . 1.08 110.188 176.182 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 616' ' ' HIS . . . . . . . . . . . . . 62.3 m170 -63.16 -36.52 83.89 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.961 -0.563 . . . . 1.73 110.56 179.224 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 617' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.448 -0.566 0 CA-C-N 116.58 -0.282 . . . . 1.77 111.444 176.109 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 520' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.514 -0.434 0 CA-C-O 121.16 0.505 . . . . 2.86 110.784 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 521' ' ' VAL . . . . . 0.506 HG12 HD23 ' A' ' 599' ' ' LEU . 59.2 t -115.18 118.43 58.78 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.753 0 N-CA-C 109.113 -0.699 . . . . 1.14 109.113 169.404 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 522' ' ' VAL . . . . . 0.852 HG21 ' SD ' ' A' ' 563' ' ' MET . 21.9 t -121.59 123.5 69.62 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.976 0 N-CA-C 107.773 -1.195 . . . . 1.05 107.773 178.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 523' ' ' HIS . . . . . . . . . . . . . 48.0 t-80 -104.71 128.77 52.9 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-O 121.054 0.454 . . . . 0.57 109.928 -173.894 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 524' ' ' ILE . . . . . 0.415 HG12 HG12 ' A' ' 590' ' ' ILE . 31.6 mt -111.61 139.67 34.72 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.081 0 N-CA-C 108.352 -0.981 . . . . 1.06 108.352 178.745 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 525' ' ' CYS . . . . . 0.592 ' SG ' ' HB3' ' A' ' 589' ' ' LEU . 6.0 p -138.07 165.54 26.36 Favored 'General case' 0 C--N 1.313 -0.989 0 C-N-CA 120.448 -0.501 . . . . 1.75 111.342 -177.604 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 526' ' ' ASN . . . . . 0.492 ' HB2' ' O ' ' A' ' 525' ' ' CYS . 93.0 m-20 86.5 25.98 0.05 Allowed 'General case' 0 N--CA 1.468 0.47 0 O-C-N 124.985 1.428 . . . . 0.28 109.969 176.272 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 527' ' ' LEU . . . . . 0.522 ' HB3' ' SG ' ' A' ' 532' ' ' CYS . 79.2 mt -84.97 125.35 70.84 Favored Pre-proline 0 C--N 1.323 -0.57 0 CA-C-N 114.929 -1.032 . . . . 1.04 108.612 175.885 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 528' ' ' PRO . . . . . 0.415 ' HD3' ' HA ' ' A' ' 527' ' ' LEU . 2.6 Cg_exo -73.91 133.93 19.06 Favored 'Trans proline' 0 N--CA 1.457 -0.627 0 C-N-CA 121.509 1.473 . . . . 0.5 111.265 179.061 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 529' ' ' GLU . . . . . . . . . . . . . 66.9 tt0 -64.69 138.75 58.57 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 109.509 -0.552 . . . . 1.6 109.509 177.117 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 530' ' ' GLY . . . . . . . . . . . . . . . 87.7 3.52 80.55 Favored Glycine 0 N--CA 1.444 -0.782 0 C-N-CA 120.286 -0.959 . . . . 0.52 110.923 -173.034 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 531' ' ' SER . . . . . . . . . . . . . 48.8 m -148.04 2.74 0.69 Allowed 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.03 0.443 . . . . 1.49 110.358 -174.483 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 532' ' ' CYS . . . . . 0.522 ' SG ' ' HB3' ' A' ' 527' ' ' LEU . 35.0 m -89.08 85.72 6.74 Favored 'General case' 0 CA--C 1.513 -0.446 0 N-CA-C 108.404 -0.961 . . . . 0.25 108.404 178.712 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 533' ' ' THR . . . . . 0.561 ' O ' HG22 ' A' ' 537' ' ' VAL . 46.2 p -97.07 151.93 19.27 Favored 'General case' 0 C--N 1.314 -0.941 0 C-N-CA 119.737 -0.785 . . . . 1.1 109.015 -178.4 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 534' ' ' GLU . . . . . 0.495 ' N ' HD13 ' A' ' 552' ' ' LEU . 37.2 mt-10 -65.58 -33.27 75.51 Favored 'General case' 0 C--N 1.318 -0.764 0 N-CA-C 108.537 -0.912 . . . . 1.64 108.537 176.233 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 535' ' ' ASN . . . . . . . . . . . . . 12.6 m120 -62.39 -49.55 75.05 Favored 'General case' 0 C--O 1.213 -0.848 0 CA-C-N 114.682 -1.145 . . . . 1.86 111.644 -179.84 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 536' ' ' ASP . . . . . . . . . . . . . 18.6 m-20 -69.18 -45.67 69.4 Favored 'General case' 0 N--CA 1.47 0.568 0 CA-C-N 118.672 0.669 . . . . 0.61 111.101 -173.554 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 537' ' ' VAL . . . . . 0.561 HG22 ' O ' ' A' ' 533' ' ' THR . 35.7 t -59.77 -48.73 86.49 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 CA-C-N 114.938 -1.028 . . . . 1.03 110.055 -178.053 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 538' ' ' ILE . . . . . 0.697 HD11 ' CG ' ' A' ' 550' ' ' TYR . 41.7 mt -69.42 -34.48 62.43 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.658 0 CA-C-N 115.59 -0.732 . . . . 1.06 112.042 176.782 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 539' ' ' ASN . . . . . 0.432 ' HA ' HD11 ' A' ' 615' ' ' ILE . 9.2 m120 -59.21 -26.58 64.96 Favored 'General case' 0 CA--C 1.515 -0.37 0 O-C-N 122.239 -0.288 . . . . 0.25 110.661 178.476 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 540' ' ' LEU . . . . . . . . . . . . . 97.3 mt -75.83 -42.05 50.77 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 109.867 -0.419 . . . . 1.11 109.867 172.382 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 541' ' ' GLY . . . . . 0.477 ' HA3' HD23 ' A' ' 561' ' ' LEU . . . -63.31 -51.37 55.32 Favored Glycine 0 CA--C 1.524 0.607 0 N-CA-C 115.489 0.955 . . . . 0.19 115.489 -179.759 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 542' ' ' LEU . . . . . 0.438 ' HB2' ' CD1' ' A' ' 615' ' ' ILE . 74.1 mt -56.25 -45.82 99.87 Favored Pre-proline 0 C--N 1.319 -0.736 0 N-CA-C 114.548 1.314 . . . . 1.06 114.548 -169.339 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 543' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_exo -59.11 -25.55 78.38 Favored 'Trans proline' 0 C--N 1.349 0.574 0 C-N-CA 122.272 1.981 . . . . 0.25 114.143 -177.654 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 544' ' ' PHE . . . . . 0.471 ' HB2' ' HE2' ' A' ' 572' ' ' MET . 67.2 m-85 -98.93 -11.33 21.73 Favored 'General case' 0 C--N 1.331 -0.202 0 O-C-N 121.916 -0.49 . . . . 0.38 111.071 178.65 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 545' ' ' GLY . . . . . . . . . . . . . . . 169.78 154.47 9.29 Favored Glycine 0 N--CA 1.449 -0.444 0 C-N-CA 120.976 -0.63 . . . . 0.44 112.122 -177.298 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 546' ' ' LYS . . . . . . . . . . . . . 40.4 ttmt -66.11 131.95 47.37 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 120.754 0.311 . . . . 2.62 111.066 -178.662 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 547' ' ' VAL . . . . . 0.558 ' HB ' HG11 ' A' ' 608' ' ' VAL . 69.9 t -90.08 116.72 31.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-N 116.01 -0.541 . . . . 1.05 111.034 177.517 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 548' ' ' THR . . . . . . . . . . . . . 21.4 p -94.65 -35.18 12.3 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 112.122 0.416 . . . . 1.11 112.122 178.14 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 549' ' ' ASN . . . . . 0.462 ' HB2' ' HB3' ' A' ' 562' ' ' GLU . 4.8 m-20 -140.9 150.09 42.74 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.828 0.347 . . . . 1.49 110.402 -176.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 550' ' ' TYR . . . . . 0.697 ' CG ' HD11 ' A' ' 538' ' ' ILE . 3.7 p90 -157.62 151.01 23.63 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.98 -0.555 . . . . 0.96 109.955 179.321 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 551' ' ' ILE . . . . . 0.477 ' HB ' ' HB2' ' A' ' 560' ' ' PHE . 72.1 mt -144.48 124.05 7.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 N-CA-C 108.801 -0.814 . . . . 1.1 108.801 -175.201 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 552' ' ' LEU . . . . . 0.495 HD13 ' N ' ' A' ' 534' ' ' GLU . 26.7 mt -108.32 119.03 38.31 Favored 'General case' 0 C--N 1.319 -0.752 0 C-N-CA 120.398 -0.521 . . . . 1.17 110.718 -179.034 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 553' ' ' MET . . . . . . . . . . . . . 61.2 mtm -109.54 83.38 1.74 Allowed 'General case' 0 C--N 1.32 -0.7 0 C-N-CA 119.676 -0.809 . . . . 1.55 109.252 178.837 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 554' ' ' LYS . . . . . 0.406 ' HD2' ' HB2' ' A' ' 532' ' ' CYS . 23.9 mmtp -53.35 -27.16 22.09 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 114.698 -1.137 . . . . 1.63 112.262 174.669 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 555' ' ' SER . . . . . . . . . . . . . 66.5 p -68.77 -44.14 74.3 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.986 0.422 . . . . 0.7 110.977 -175.593 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 556' ' ' THR . . . . . 0.456 ' O ' ' HG3' ' A' ' 558' ' ' GLN . 40.6 p -98.68 2.32 47.03 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 112.311 0.486 . . . . 1.14 112.311 -176.869 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 557' ' ' ASN . . . . . . . . . . . . . 36.5 m-80 58.31 39.16 25.81 Favored 'General case' 0 N--CA 1.467 0.424 0 CA-C-O 121.986 0.898 . . . . 2.03 110.104 -177.001 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 558' ' ' GLN . . . . . 0.456 ' HG3' ' O ' ' A' ' 556' ' ' THR . 73.0 mt-30 -139.83 164.35 30.21 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 114.593 -1.185 . . . . 1.24 108.988 -176.385 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 559' ' ' ALA . . . . . . . . . . . . . . . -157.02 164.63 37.76 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 120.942 0.401 . . . . 1.04 111.455 -177.503 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 560' ' ' PHE . . . . . 0.477 ' HB2' ' HB ' ' A' ' 551' ' ' ILE . 91.0 m-85 -120.96 148.78 43.62 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.013 -0.539 . . . . 0.46 110.953 177.3 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 561' ' ' LEU . . . . . 0.619 ' O ' ' HB ' ' A' ' 522' ' ' VAL . 55.5 tp -143.03 118.2 10.14 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.492 -0.776 . . . . 1.06 109.897 -178.73 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 562' ' ' GLU . . . . . 0.462 ' HB3' ' HB2' ' A' ' 549' ' ' ASN . 43.7 tt0 -101.14 131.22 47.19 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.44 0.638 . . . . 2.09 111.113 174.795 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 563' ' ' MET . . . . . 0.852 ' SD ' HG21 ' A' ' 522' ' ' VAL . 2.1 mpt? -102.9 146.81 27.74 Favored 'General case' 0 C--N 1.314 -0.947 0 CA-C-N 114.806 -1.088 . . . . 1.06 108.79 175.332 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 564' ' ' ALA . . . . . . . . . . . . . . . -66.56 -15.98 63.82 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.015 -0.539 . . . . 1.25 111.48 -172.785 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 565' ' ' TYR . . . . . 0.452 ' HB3' ' HG2' ' A' ' 567' ' ' GLU . 74.8 m-85 -138.89 138.27 37.27 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 109.111 -0.699 . . . . 1.39 109.111 -178.125 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 566' ' ' THR . . . . . . . . . . . . . 15.2 t -63.84 -26.59 68.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.145 -0.48 . . . . 1.24 110.726 -177.484 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 567' ' ' GLU . . . . . 0.452 ' HG2' ' HB3' ' A' ' 565' ' ' TYR . 4.0 pt-20 -55.99 -33.71 65.11 Favored 'General case' 0 C--N 1.334 -0.107 0 CA-C-N 116.07 -0.514 . . . . 0.89 111.25 175.722 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 568' ' ' ALA . . . . . 0.654 ' O ' ' HG3' ' A' ' 572' ' ' MET . . . -73.52 -42.65 61.49 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.027 -0.533 . . . . 1.08 110.472 -176.34 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 569' ' ' ALA . . . . . 0.501 ' O ' HG22 ' A' ' 573' ' ' VAL . . . -64.95 -45.39 85.96 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.003 -0.544 . . . . 1.0 111.039 -176.816 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 570' ' ' GLN . . . . . . . . . . . . . 18.6 pt20 -68.57 -35.87 77.98 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.037 -0.529 . . . . 1.72 110.779 -179.161 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 571' ' ' ALA . . . . . . . . . . . . . . . -62.53 -41.76 99.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.858 0.361 . . . . 1.08 110.747 177.764 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 572' ' ' MET . . . . . 0.774 ' SD ' ' HE3' ' A' ' 563' ' ' MET . 52.6 mtt -65.35 -43.44 90.85 Favored 'General case' 0 CA--C 1.516 -0.349 0 CA-C-N 116.105 -0.498 . . . . 1.05 110.744 -179.51 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 573' ' ' VAL . . . . . 0.517 ' O ' ' HG2' ' A' ' 577' ' ' GLN . 57.4 t -58.71 -47.13 89.91 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.371 0 N-CA-C 109.817 -0.438 . . . . 1.08 109.817 179.663 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 574' ' ' GLN . . . . . . . . . . . . . 45.2 mt-30 -60.81 -39.84 90.49 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.949 0.404 . . . . 2.79 110.719 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 575' ' ' TYR . . . . . . . . . . . . . 76.1 t80 -69.08 -51.97 33.19 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.879 -0.601 . . . . 1.09 111.035 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 576' ' ' TYR . . . . . 0.541 ' CE2' HD13 ' A' ' 590' ' ' ILE . 70.1 m-85 -76.42 -14.21 60.07 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 113.23 0.826 . . . . 1.03 113.23 -175.586 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 577' ' ' GLN . . . . . 0.517 ' HG2' ' O ' ' A' ' 573' ' ' VAL . 14.6 mm100 -68.46 -40.96 80.87 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 108.999 -0.741 . . . . 2.14 108.999 169.64 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 578' ' ' GLU . . . . . . . . . . . . . 8.5 mm-40 -85.22 -38.94 18.36 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-N 115.574 -0.739 . . . . 2.14 110.957 -179.849 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 579' ' ' LYS . . . . . 0.47 ' O ' ' HA ' ' A' ' 576' ' ' TYR . 28.6 mtpp -137.54 95.41 11.37 Favored Pre-proline 0 C--N 1.328 -0.339 0 C-N-CA 122.433 0.293 . . . . 2.95 110.844 178.067 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 580' ' ' PRO . . . . . . . . . . . . . 42.4 Cg_endo -67.06 160.78 45.69 Favored 'Trans proline' 0 C--O 1.235 0.36 0 C-N-CA 122.329 2.019 . . . . 0.51 111.614 176.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 581' ' ' ALA . . . . . 0.428 ' HB2' ' CE1' ' A' ' 576' ' ' TYR . . . -91.15 136.17 33.27 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 110.045 -0.354 . . . . 1.09 110.045 -177.481 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 582' ' ' ILE . . . . . . . . . . . . . 60.4 mt -101.05 118.44 47.78 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.935 0 CA-C-O 120.887 0.375 . . . . 1.19 111.233 -174.318 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 583' ' ' ILE . . . . . . . . . . . . . 28.5 mm -125.62 112.4 30.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-N 116.015 -0.539 . . . . 1.21 109.763 173.699 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 584' ' ' ASN . . . . . . . . . . . . . 3.3 m-20 57.97 36.59 26.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.42 0.629 . . . . 1.34 110.266 178.236 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 585' ' ' GLY . . . . . . . . . . . . . . . 84.52 -2.29 88.1 Favored Glycine 0 N--CA 1.445 -0.706 0 CA-C-N 115.08 -0.964 . . . . 0.51 113.358 179.67 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 586' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -101.05 125.71 47.68 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 117.236 0.518 . . . . 1.79 111.232 -178.179 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 587' ' ' LYS . . . . . . . . . . . . . 96.7 mttt -81.01 114.72 20.07 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.17 -0.923 . . . . 2.25 111.423 178.181 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 588' ' ' LEU . . . . . . . . . . . . . 35.7 mt -78.59 141.59 37.95 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.396 -0.82 . . . . 1.03 111.206 -177.235 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 589' ' ' LEU . . . . . 0.592 ' HB3' ' SG ' ' A' ' 525' ' ' CYS . 62.3 tp -112.89 112.03 23.21 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.702 -0.681 . . . . 1.13 110.324 177.413 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 590' ' ' ILE . . . . . 0.541 HD13 ' CE2' ' A' ' 576' ' ' TYR . 19.4 mt -102.21 117.87 48.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 N-CA-C 109.883 -0.414 . . . . 1.08 109.883 175.569 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 591' ' ' ARG . . . . . 0.465 ' NE ' HD11 ' A' ' 589' ' ' LEU . 99.4 mtt180 -145.95 165.97 27.41 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 109.741 -0.466 . . . . 3.18 109.741 -179.677 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 592' ' ' MET . . . . . . . . . . . . . 58.9 mtt -81.43 150.76 28.2 Favored 'General case' 0 C--N 1.323 -0.587 0 N-CA-C 110.262 -0.273 . . . . 1.13 110.262 -176.382 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 593' ' ' SER . . . . . . . . . . . . . 18.7 m -94.41 135.45 35.82 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.496 0.665 . . . . 1.65 111.089 -177.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 594' ' ' THR . . . . . . . . . . . . . 40.2 p -90.25 -9.18 48.92 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-N 114.343 -1.299 . . . . 1.14 112.425 -171.278 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 595' ' ' ARG . . . . . . . . . . . . . 68.2 mtp180 -102.94 -29.07 11.64 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 112.565 0.58 . . . . 3.37 112.565 -171.611 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 596' ' ' TYR . . . . . . . . . . . . . 97.7 m-85 -127.23 157.46 39.74 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.249 0.547 . . . . 1.15 112.051 -172.714 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 597' ' ' LYS . . . . . 0.421 ' C ' HG23 ' A' ' 521' ' ' VAL . 49.9 mtmt -107.89 -21.95 12.64 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.148 -0.933 . . . . 2.63 111.499 176.828 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 598' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -141.84 150.15 41.24 Favored 'General case' 0 C--N 1.33 -0.246 0 C-N-CA 120.262 -0.575 . . . . 0.95 111.61 -177.198 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 599' ' ' LEU . . . . . 0.506 HD23 HG12 ' A' ' 521' ' ' VAL . 63.2 mt -93.29 125.98 38.18 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.252 -0.885 . . . . 1.18 110.963 176.854 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 600' ' ' GLN . . . . . . . . . . . . . 53.2 tt0 -95.01 110.03 21.99 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.083 -0.508 . . . . 1.65 110.249 178.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 601' ' ' LEU . . . . . . . . . . . . . 81.9 mt -75.23 88.57 2.51 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.973 -0.558 . . . . 1.23 111.214 -178.002 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 602' ' ' LYS . . . . . . . . . . . . . 60.7 mttm -76.44 -15.25 59.97 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.492 -0.776 . . . . 2.22 110.728 176.643 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 603' ' ' LYS . . . . . . . . . . . . . 74.4 mmtt . . . . . 0 C--N 1.323 -0.574 0 CA-C-N 116.077 -0.511 . . . . 2.26 110.59 -176.642 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 607' ' ' ASN . . . . . . . . . . . . . 62.3 t30 . . . . . 0 C--O 1.23 0.071 0 CA-C-O 121.014 0.435 . . . . 1.8 110.627 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 608' ' ' VAL . . . . . 0.558 HG11 ' HB ' ' A' ' 547' ' ' VAL . 58.1 t -77.57 -19.48 14.04 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-N 115.901 -0.591 . . . . 1.07 111.32 -173.892 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 609' ' ' ALA . . . . . . . . . . . . . . . -59.74 -35.78 75.26 Favored 'General case' 0 C--O 1.237 0.414 0 CA-C-O 121.179 0.514 . . . . 1.27 111.017 176.552 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 610' ' ' ALA . . . . . . . . . . . . . . . -64.02 -29.12 70.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.976 -0.556 . . . . 1.14 110.507 178.385 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 611' ' ' ILE . . . . . 0.425 ' CD1' HD13 ' A' ' 538' ' ' ILE . 73.1 mt -71.18 -30.93 42.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-N 115.714 -0.676 . . . . 1.03 109.933 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 612' ' ' ILE . . . . . 0.421 HG12 HD13 ' A' ' 542' ' ' LEU . 55.0 mt -61.73 -40.19 85.94 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.22 0 CA-C-O 121.32 0.581 . . . . 1.11 109.596 172.07 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 613' ' ' GLN . . . . . . . . . . . . . 18.2 mt-30 -63.24 -34.81 78.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.504 -0.771 . . . . 3.02 109.705 177.215 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 614' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -65.32 -40.55 93.87 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.035 -0.984 . . . . 1.95 110.427 178.097 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 615' ' ' ILE . . . . . 0.438 ' CD1' ' HB2' ' A' ' 542' ' ' LEU . 73.9 mt -63.15 -35.28 71.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-O 121.022 0.439 . . . . 1.08 110.347 177.114 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 616' ' ' HIS . . . . . . . . . . . . . 63.4 m170 -63.93 -38.96 92.99 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.989 -0.551 . . . . 1.73 110.868 -178.791 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 617' ' ' SER . . . . . . . . . . . . . 1.3 p . . . . . 0 N--CA 1.453 -0.288 0 CA-C-O 120.762 0.315 . . . . 1.77 111.226 176.504 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 520' ' ' ARG . . . . . . . . . . . . . 37.9 mtm-85 . . . . . 0 CA--C 1.52 -0.188 0 CA-C-O 120.969 0.414 . . . . 2.86 111.137 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 521' ' ' VAL . . . . . 0.477 HG11 HD23 ' A' ' 599' ' ' LEU . 86.8 t -118.03 123.78 72.15 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 CA-C-N 115.651 -0.704 . . . . 1.14 110.484 167.426 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 522' ' ' VAL . . . . . 0.517 ' HB ' ' O ' ' A' ' 561' ' ' LEU . 21.5 t -120.32 122.97 69.62 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.863 0 N-CA-C 107.725 -1.213 . . . . 1.05 107.725 176.172 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 523' ' ' HIS . . . . . . . . . . . . . 43.5 t-80 -104.92 132.84 50.65 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 121.301 0.572 . . . . 0.57 110.785 -171.873 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 524' ' ' ILE . . . . . 0.407 HG12 HG12 ' A' ' 590' ' ' ILE . 33.1 mt -111.03 139.59 34.21 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.824 0 CA-C-N 115.233 -0.894 . . . . 1.06 108.919 179.119 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 525' ' ' CYS . . . . . 0.427 ' O ' ' HB2' ' A' ' 526' ' ' ASN . 38.4 t -134.12 160.43 37.82 Favored 'General case' 0 C--N 1.314 -0.95 0 CA-C-N 116.656 -0.247 . . . . 1.75 110.594 -177.692 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 526' ' ' ASN . . . . . 0.427 ' HB2' ' O ' ' A' ' 525' ' ' CYS . 84.0 m-20 83.92 29.61 0.07 Allowed 'General case' 0 N--CA 1.468 0.466 0 O-C-N 124.599 1.187 . . . . 0.28 110.613 173.363 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 527' ' ' LEU . . . . . 0.551 ' HB3' ' SG ' ' A' ' 532' ' ' CYS . 80.9 mt -88.01 124.45 66.89 Favored Pre-proline 0 C--N 1.323 -0.585 0 N-CA-C 108.291 -1.003 . . . . 1.04 108.291 174.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 528' ' ' PRO . . . . . 0.43 ' HD3' ' HA ' ' A' ' 527' ' ' LEU . 2.8 Cg_exo -74.44 133.7 17.83 Favored 'Trans proline' 0 N--CA 1.459 -0.523 0 C-N-CA 121.674 1.583 . . . . 0.5 112.145 -178.405 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 529' ' ' GLU . . . . . . . . . . . . . 45.4 tt0 -64.96 130.93 45.18 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.5 -0.555 . . . . 1.6 109.5 176.794 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 530' ' ' GLY . . . . . . . . . . . . . . . 94.48 2.76 63.33 Favored Glycine 0 N--CA 1.447 -0.62 0 C-N-CA 120.497 -0.859 . . . . 0.52 110.965 -173.208 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 531' ' ' SER . . . . . . . . . . . . . 28.5 t -144.46 2.72 1.11 Allowed 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.515 0.674 . . . . 1.49 109.484 -178.15 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 532' ' ' CYS . . . . . 0.551 ' SG ' ' HB3' ' A' ' 527' ' ' LEU . 84.1 m -89.82 87.12 6.84 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 108.915 -0.772 . . . . 0.25 108.915 -178.5 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 533' ' ' THR . . . . . 0.454 ' O ' HG23 ' A' ' 537' ' ' VAL . 26.5 p -101.63 152.38 20.89 Favored 'General case' 0 C--N 1.318 -0.77 0 N-CA-C 108.705 -0.85 . . . . 1.1 108.705 -179.709 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 534' ' ' GLU . . . . . 0.52 ' HA ' HD11 ' A' ' 552' ' ' LEU . 1.7 mp0 -63.74 -34.15 77.24 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 121.329 0.585 . . . . 1.64 109.491 177.673 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 535' ' ' ASN . . . . . . . . . . . . . 4.9 t30 -63.25 -48.09 79.7 Favored 'General case' 0 N--CA 1.445 -0.69 0 CA-C-N 114.932 -1.031 . . . . 1.86 111.161 -177.247 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 536' ' ' ASP . . . . . . . . . . . . . 34.1 m-20 -69.71 -45.65 67.76 Favored 'General case' 0 N--CA 1.476 0.839 0 CA-C-O 121.536 0.684 . . . . 0.61 111.348 -173.391 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 537' ' ' VAL . . . . . 0.454 HG23 ' O ' ' A' ' 533' ' ' THR . 38.4 t -59.62 -45.67 93.96 Favored 'Isoleucine or valine' 0 C--O 1.242 0.66 0 CA-C-N 114.916 -1.038 . . . . 1.03 109.631 -179.056 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 538' ' ' ILE . . . . . 0.506 HG21 HG21 ' A' ' 547' ' ' VAL . 62.0 mt -67.84 -33.45 61.61 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 CA-C-N 115.25 -0.886 . . . . 1.06 111.23 175.338 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 539' ' ' ASN . . . . . 0.45 ' HA ' HD11 ' A' ' 615' ' ' ILE . 11.9 m120 -58.02 -28.42 64.44 Favored 'General case' 0 CA--C 1.512 -0.503 0 O-C-N 122.372 -0.205 . . . . 0.25 110.571 178.015 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 540' ' ' LEU . . . . . 0.438 HD23 ' OH ' ' A' ' 576' ' ' TYR . 93.8 mt -76.32 -41.41 48.59 Favored 'General case' 0 C--N 1.323 -0.575 0 C-N-CA 120.607 -0.437 . . . . 1.11 110.177 174.152 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 541' ' ' GLY . . . . . 0.525 ' O ' ' HE3' ' A' ' 572' ' ' MET . . . -60.96 -51.45 58.52 Favored Glycine 0 CA--C 1.522 0.514 0 N-CA-C 115.443 0.937 . . . . 0.19 115.443 179.839 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 542' ' ' LEU . . . . . 0.51 ' HA ' ' O ' ' A' ' 545' ' ' GLY . 81.8 mt -60.26 -43.74 94.31 Favored Pre-proline 0 CA--C 1.542 0.637 0 N-CA-C 115.038 1.495 . . . . 1.06 115.038 -168.084 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 543' ' ' PRO . . . . . . . . . . . . . 58.6 Cg_exo -58.04 -27.22 78.66 Favored 'Trans proline' 0 C--N 1.35 0.614 0 C-N-CA 122.169 1.913 . . . . 0.25 113.852 -177.906 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 544' ' ' PHE . . . . . 0.52 ' HB2' ' CE ' ' A' ' 572' ' ' MET . 81.8 m-85 -100.64 -16.64 17.36 Favored 'General case' 0 C--N 1.33 -0.242 0 O-C-N 122.043 -0.411 . . . . 0.38 111.109 178.502 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 545' ' ' GLY . . . . . 0.51 ' O ' ' HA ' ' A' ' 542' ' ' LEU . . . 179.3 156.19 16.86 Favored Glycine 0 N--CA 1.449 -0.479 0 C-N-CA 120.541 -0.838 . . . . 0.44 112.486 179.016 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 546' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -67.08 132.03 47.02 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 120.915 0.388 . . . . 2.62 110.815 -178.647 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 547' ' ' VAL . . . . . 0.506 HG21 HG21 ' A' ' 538' ' ' ILE . 70.9 t -87.7 115.28 27.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-N 116.038 -0.528 . . . . 1.05 110.34 178.743 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 548' ' ' THR . . . . . . . . . . . . . 20.6 p -98.33 -33.86 10.9 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.978 -0.556 . . . . 1.11 111.648 178.47 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 549' ' ' ASN . . . . . 0.403 ' HB2' ' CD ' ' A' ' 562' ' ' GLU . 90.3 m-20 -141.84 157.34 45.11 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.18 0.514 . . . . 1.49 110.635 176.189 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 550' ' ' TYR . . . . . . . . . . . . . 3.3 p90 -162.22 151.53 15.75 Favored 'General case' 0 C--N 1.317 -0.832 0 CA-C-N 115.427 -0.806 . . . . 0.96 109.035 179.284 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 551' ' ' ILE . . . . . . . . . . . . . 35.9 mt -142.84 122.43 9.25 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 N-CA-C 108.081 -1.081 . . . . 1.1 108.081 179.292 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 552' ' ' LEU . . . . . 0.52 HD11 ' HA ' ' A' ' 534' ' ' GLU . 20.5 mt -110.33 127.29 54.96 Favored 'General case' 0 C--N 1.312 -1.044 0 C-N-CA 119.194 -1.002 . . . . 1.17 110.086 -178.84 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 553' ' ' MET . . . . . . . . . . . . . 65.5 mtm -108.84 83.74 1.81 Allowed 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 108.505 -0.924 . . . . 1.55 108.505 178.49 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 554' ' ' LYS . . . . . 0.476 ' HD2' ' HB2' ' A' ' 532' ' ' CYS . 16.1 mmtp -53.25 -29.06 30.7 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 114.997 -1.002 . . . . 1.63 111.938 177.124 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 555' ' ' SER . . . . . . . . . . . . . 67.2 p -70.8 -40.89 72.25 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 120.695 0.283 . . . . 0.7 111.739 -174.818 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 556' ' ' THR . . . . . . . . . . . . . 42.1 p -98.5 3.99 48.25 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 112.064 0.394 . . . . 1.14 112.064 -176.168 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 557' ' ' ASN . . . . . . . . . . . . . 30.1 m-80 58.17 38.43 26.33 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-O 121.392 0.615 . . . . 2.03 110.555 -177.163 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 558' ' ' GLN . . . . . . . . . . . . . 77.8 mt-30 -143.3 164.35 30.48 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.554 -0.748 . . . . 1.24 109.665 -176.516 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 559' ' ' ALA . . . . . . . . . . . . . . . -157.44 166.22 33.59 Favored 'General case' 0 N--CA 1.451 -0.421 0 CA-C-O 121.594 0.711 . . . . 1.04 112.882 -176.255 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 560' ' ' PHE . . . . . . . . . . . . . 97.7 m-85 -120.61 139.18 53.35 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 114.902 -1.044 . . . . 0.46 109.838 175.446 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 561' ' ' LEU . . . . . 0.517 ' O ' ' HB ' ' A' ' 522' ' ' VAL . 45.7 tp -134.33 119.47 18.71 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 120.988 0.423 . . . . 1.06 110.313 -179.724 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 562' ' ' GLU . . . . . 0.49 ' HB2' HD11 ' A' ' 599' ' ' LEU . 34.5 tt0 -100.55 122.57 43.47 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.478 0.656 . . . . 2.09 111.021 -179.327 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 563' ' ' MET . . . . . 0.512 ' SD ' HG22 ' A' ' 522' ' ' VAL . 0.0 OUTLIER -102.49 157.76 16.69 Favored 'General case' 0 C--N 1.317 -0.821 0 CA-C-N 114.865 -1.061 . . . . 1.06 108.781 177.654 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 564' ' ' ALA . . . . . . . . . . . . . . . -76.91 -16.32 59.42 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 111.869 0.322 . . . . 1.25 111.869 -172.542 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 565' ' ' TYR . . . . . 0.406 ' HB3' ' HG2' ' A' ' 567' ' ' GLU . 77.8 m-85 -141.13 150.06 42.34 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.018 0.437 . . . . 1.39 110.509 178.102 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 566' ' ' THR . . . . . . . . . . . . . 12.2 t -67.91 -26.93 66.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.687 -0.688 . . . . 1.24 110.363 -179.74 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 567' ' ' GLU . . . . . 0.48 ' HA ' HE21 ' A' ' 570' ' ' GLN . 10.9 pt-20 -57.04 -32.57 66.33 Favored 'General case' 0 CA--C 1.524 -0.054 0 CA-C-N 115.951 -0.568 . . . . 0.89 110.703 175.39 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 568' ' ' ALA . . . . . 0.75 ' O ' ' HG2' ' A' ' 572' ' ' MET . . . -73.61 -42.38 61.58 Favored 'General case' 0 N--CA 1.449 -0.524 0 CA-C-N 115.678 -0.692 . . . . 1.08 109.852 -179.6 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 569' ' ' ALA . . . . . 0.447 ' HA ' ' SD ' ' A' ' 563' ' ' MET . . . -63.55 -45.25 91.4 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.771 -0.649 . . . . 1.0 111.526 -175.282 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 570' ' ' GLN . . . . . 0.494 ' O ' ' HG2' ' A' ' 574' ' ' GLN . 25.5 pt20 -68.83 -35.24 76.72 Favored 'General case' 0 C--N 1.328 -0.369 0 C-N-CA 120.657 -0.417 . . . . 1.72 110.365 178.522 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 571' ' ' ALA . . . . . . . . . . . . . . . -61.54 -38.2 86.57 Favored 'General case' 0 N--CA 1.454 -0.262 0 CA-C-N 116.391 -0.368 . . . . 1.08 110.322 177.525 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 572' ' ' MET . . . . . 0.75 ' HG2' ' O ' ' A' ' 568' ' ' ALA . 17.7 mmt -60.08 -49.76 76.39 Favored 'General case' 0 CA--C 1.517 -0.305 0 CA-C-N 116.171 -0.468 . . . . 1.05 109.775 176.339 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 573' ' ' VAL . . . . . 0.46 HG23 ' HA ' ' A' ' 591' ' ' ARG . 58.5 t -63.57 -49.28 83.12 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.376 0 CA-C-N 115.506 -0.77 . . . . 1.08 110.193 -175.735 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 574' ' ' GLN . . . . . 0.494 ' HG2' ' O ' ' A' ' 570' ' ' GLN . 16.2 mm100 -62.26 -37.97 87.5 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.369 -0.378 . . . . 2.79 110.608 -178.027 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 575' ' ' TYR . . . . . . . . . . . . . 62.5 t80 -69.79 -54.44 13.64 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.151 -0.477 . . . . 1.09 111.257 -178.177 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 576' ' ' TYR . . . . . 0.559 ' CE2' HD11 ' A' ' 590' ' ' ILE . 65.3 m-85 -77.94 -14.1 59.65 Favored 'General case' 0 N--CA 1.465 0.295 0 N-CA-C 113.474 0.916 . . . . 1.03 113.474 -173.829 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 577' ' ' GLN . . . . . 0.441 ' HG2' ' O ' ' A' ' 573' ' ' VAL . 13.9 mm100 -67.28 -42.83 83.14 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 109.439 -0.578 . . . . 2.14 109.439 172.125 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 578' ' ' GLU . . . . . . . . . . . . . 31.1 mm-40 -91.5 -38.17 12.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.812 -0.631 . . . . 2.14 111.495 -179.745 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 579' ' ' LYS . . . . . 0.42 ' O ' ' HA ' ' A' ' 576' ' ' TYR . 62.6 mttp -128.16 85.36 60.72 Favored Pre-proline 0 C--N 1.329 -0.301 0 N-CA-C 110.043 -0.355 . . . . 2.95 110.043 177.476 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 580' ' ' PRO . . . . . . . . . . . . . 37.6 Cg_endo -66.11 159.34 50.01 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.375 2.05 . . . . 0.51 112.601 -177.836 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 581' ' ' ALA . . . . . 0.528 ' HB2' ' CE1' ' A' ' 576' ' ' TYR . . . -92.11 134.89 34.43 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 109.632 -0.507 . . . . 1.09 109.632 177.942 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 582' ' ' ILE . . . . . . . . . . . . . 67.8 mt -104.02 120.37 54.13 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.704 0 CA-C-O 120.791 0.329 . . . . 1.19 111.594 -175.214 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 583' ' ' ILE . . . . . 0.417 ' CG1' HD12 ' A' ' 588' ' ' LEU . 28.1 mm -125.56 115.11 42.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 N-CA-C 109.618 -0.512 . . . . 1.21 109.618 173.844 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 584' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 58.47 33.55 23.21 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.286 0.565 . . . . 1.34 110.197 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 585' ' ' GLY . . . . . . . . . . . . . . . 85.57 -0.16 88.18 Favored Glycine 0 N--CA 1.446 -0.666 0 CA-C-N 115.457 -0.792 . . . . 0.51 113.534 178.697 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 586' ' ' GLU . . . . . . . . . . . . . 76.3 mm-40 -101.48 126.79 48.32 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 117.412 0.606 . . . . 1.79 111.262 -179.2 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 587' ' ' LYS . . . . . . . . . . . . . 58.9 mttp -73.98 113.77 11.54 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.446 -0.797 . . . . 2.25 110.595 174.443 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 588' ' ' LEU . . . . . 0.428 HD11 HD11 ' A' ' 540' ' ' LEU . 45.3 mt -75.86 141.03 42.52 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 116.018 -0.537 . . . . 1.03 110.76 -178.596 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 589' ' ' LEU . . . . . 0.457 HD13 ' CZ ' ' A' ' 591' ' ' ARG . 35.5 tp -112.23 111.08 21.71 Favored 'General case' 0 C--N 1.317 -0.84 0 CA-C-N 115.765 -0.652 . . . . 1.13 110.467 -179.937 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 590' ' ' ILE . . . . . 0.559 HD11 ' CE2' ' A' ' 576' ' ' TYR . 17.4 mt -107.21 118.58 55.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 N-CA-C 110.193 -0.299 . . . . 1.08 110.193 175.862 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 591' ' ' ARG . . . . . 0.46 ' HA ' HG23 ' A' ' 573' ' ' VAL . 97.4 mtt180 -145.23 166.45 25.45 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 109.763 -0.458 . . . . 3.18 109.763 -178.405 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 592' ' ' MET . . . . . . . . . . . . . 39.5 mtt -76.92 151.24 35.84 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 120.717 0.294 . . . . 1.13 110.639 -177.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 593' ' ' SER . . . . . . . . . . . . . 45.3 t -87.14 134.86 33.47 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.264 0.554 . . . . 1.65 110.872 -179.616 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 594' ' ' THR . . . . . . . . . . . . . 19.3 p -90.83 -16.27 28.56 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 114.932 -1.031 . . . . 1.14 110.927 177.28 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 595' ' ' ARG . . . . . . . . . . . . . 98.2 mtt180 -102.9 -28.61 11.94 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 112.697 0.629 . . . . 3.37 112.697 -169.118 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 596' ' ' TYR . . . . . . . . . . . . . 96.9 m-85 -127.82 144.02 51.1 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.79 0.328 . . . . 1.15 111.778 -176.738 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 597' ' ' LYS . . . . . 0.404 ' HD2' ' N ' ' A' ' 597' ' ' LYS . 9.0 mptt -109.05 -9.95 15.04 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.065 -0.516 . . . . 2.63 111.552 175.604 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 598' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -143.84 149.51 37.08 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 120.488 -0.485 . . . . 0.95 110.808 -178.466 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 599' ' ' LEU . . . . . 0.49 HD11 ' HB2' ' A' ' 562' ' ' GLU . 33.3 mt -101.02 123.03 44.58 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.789 -0.641 . . . . 1.18 111.45 176.289 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 600' ' ' GLN . . . . . . . . . . . . . 50.3 tt0 -102.56 110.65 22.66 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.58 -0.736 . . . . 1.65 109.813 176.044 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 601' ' ' LEU . . . . . . . . . . . . . 29.7 mt -77.53 104.33 7.99 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.528 -0.306 . . . . 1.23 111.36 -178.336 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 602' ' ' LYS . . . . . . . . . . . . . 33.8 mtmt -82.57 -20.06 37.27 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 109.409 -0.589 . . . . 2.22 109.409 172.079 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 603' ' ' LYS . . . . . . . . . . . . . 34.4 mmtp . . . . . 0 C--N 1.326 -0.441 0 CA-C-N 115.357 -0.838 . . . . 2.26 110.049 -178.694 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 607' ' ' ASN . . . . . . . . . . . . . 47.0 t30 . . . . . 0 C--O 1.234 0.26 0 CA-C-O 121.026 0.441 . . . . 1.8 111.425 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 608' ' ' VAL . . . . . 0.504 HG13 ' HB ' ' A' ' 547' ' ' VAL . 56.6 t -95.36 -22.48 5.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 115.849 -0.614 . . . . 1.07 110.359 178.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 609' ' ' ALA . . . . . . . . . . . . . . . -58.35 -29.07 65.68 Favored 'General case' 0 C--O 1.236 0.394 0 CA-C-O 121.381 0.61 . . . . 1.27 111.229 176.641 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 610' ' ' ALA . . . . . . . . . . . . . . . -64.16 -28.2 69.59 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.968 -0.56 . . . . 1.14 110.192 177.351 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 611' ' ' ILE . . . . . 0.439 ' O ' HG13 ' A' ' 615' ' ' ILE . 74.6 mt -71.37 -29.71 36.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 115.72 -0.673 . . . . 1.03 109.894 177.856 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 612' ' ' ILE . . . . . 0.433 ' CG1' HD13 ' A' ' 542' ' ' LEU . 79.1 mt -60.82 -44.3 97.31 Favored 'Isoleucine or valine' 0 C--O 1.234 0.273 0 CA-C-O 121.284 0.564 . . . . 1.11 109.681 173.538 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 613' ' ' GLN . . . . . . . . . . . . . 74.5 mt-30 -65.67 -31.23 72.13 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.562 -0.744 . . . . 3.02 110.186 177.48 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 614' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -65.8 -44.36 85.91 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.249 -0.887 . . . . 1.95 109.824 178.013 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 615' ' ' ILE . . . . . 0.45 HD11 ' HA ' ' A' ' 539' ' ' ASN . 85.9 mt -59.43 -46.14 92.99 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-N 115.739 -0.664 . . . . 1.08 110.488 176.878 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 616' ' ' HIS . . . . . . . . . . . . . 27.8 m-70 -64.01 -27.85 69.4 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.267 -0.424 . . . . 1.73 111.569 -179.565 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 617' ' ' SER . . . . . . . . . . . . . 45.9 m . . . . . 0 C--N 1.322 -0.595 0 CA-C-O 120.917 0.389 . . . . 1.77 110.633 178.196 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 520' ' ' ARG . . . . . 0.537 ' NH2' ' HB2' ' A' ' 563' ' ' MET . 20.0 mtm105 . . . . . 0 N--CA 1.451 -0.377 0 CA-C-O 121.028 0.442 . . . . 2.86 110.851 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 521' ' ' VAL . . . . . 0.543 HG12 HD22 ' A' ' 599' ' ' LEU . 99.7 t -116.39 122.75 70.44 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 CA-C-N 115.789 -0.641 . . . . 1.14 110.738 172.043 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 522' ' ' VAL . . . . . 0.551 ' HB ' ' O ' ' A' ' 561' ' ' LEU . 28.8 t -118.93 121.09 65.98 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.749 0 N-CA-C 107.216 -1.402 . . . . 1.05 107.216 172.639 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 523' ' ' HIS . . . . . . . . . . . . . 41.1 t-80 -106.37 132.72 52.07 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-O 121.178 0.513 . . . . 0.57 110.572 -171.902 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 524' ' ' ILE . . . . . . . . . . . . . 37.3 mt -111.19 139.33 35.65 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.915 0 N-CA-C 108.63 -0.878 . . . . 1.06 108.63 178.079 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 525' ' ' CYS . . . . . 0.496 ' SG ' ' HG2' ' A' ' 558' ' ' GLN . 46.8 t -134.41 162.03 33.36 Favored 'General case' 0 C--N 1.313 -1.007 0 C-N-CA 120.907 -0.317 . . . . 1.75 110.771 -176.475 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 526' ' ' ASN . . . . . 0.474 ' HB2' ' O ' ' A' ' 525' ' ' CYS . 88.1 m-20 85.91 28.19 0.05 OUTLIER 'General case' 0 N--CA 1.467 0.405 0 O-C-N 124.587 1.179 . . . . 0.28 110.586 172.587 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 527' ' ' LEU . . . . . . . . . . . . . 81.3 mt -89.43 123.88 65.77 Favored Pre-proline 0 C--N 1.323 -0.586 0 N-CA-C 108.621 -0.881 . . . . 1.04 108.621 177.201 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 528' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -73.19 134.14 20.62 Favored 'Trans proline' 0 N--CA 1.454 -0.8 0 C-N-CA 121.321 1.348 . . . . 0.5 111.934 -176.917 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 529' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -64.25 131.01 46.11 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 109.441 -0.577 . . . . 1.6 109.441 175.131 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 530' ' ' GLY . . . . . . . . . . . . . . . 92.87 3.62 65.84 Favored Glycine 0 N--CA 1.445 -0.747 0 N-CA-C 110.473 -1.051 . . . . 0.52 110.473 -171.873 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 531' ' ' SER . . . . . . . . . . . . . 49.3 m -148.9 7.33 0.72 Allowed 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.188 -0.506 . . . . 1.49 110.305 -177.112 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 532' ' ' CYS . . . . . 0.423 ' HB2' ' HG3' ' A' ' 554' ' ' LYS . 63.2 m -90.77 82.93 5.69 Favored 'General case' 0 CA--C 1.512 -0.498 0 N-CA-C 108.896 -0.779 . . . . 0.25 108.896 178.492 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 533' ' ' THR . . . . . 0.478 ' O ' HG22 ' A' ' 537' ' ' VAL . 27.9 p -96.75 151.81 19.28 Favored 'General case' 0 N--CA 1.442 -0.847 0 N-CA-C 108.7 -0.852 . . . . 1.1 108.7 -178.479 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 534' ' ' GLU . . . . . 0.481 ' HA ' HD11 ' A' ' 552' ' ' LEU . 45.7 mt-10 -65.97 -34.41 78.05 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-O 121.607 0.718 . . . . 1.64 109.181 177.437 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 535' ' ' ASN . . . . . . . . . . . . . 3.9 t30 -65.05 -48.71 72.86 Favored 'General case' 0 N--CA 1.445 -0.702 0 CA-C-N 114.531 -1.213 . . . . 1.86 111.347 -175.728 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 536' ' ' ASP . . . . . . . . . . . . . 28.6 m-20 -69.53 -43.98 71.9 Favored 'General case' 0 N--CA 1.476 0.834 0 CA-C-O 121.399 0.619 . . . . 0.61 111.341 -173.574 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 537' ' ' VAL . . . . . 0.478 HG22 ' O ' ' A' ' 533' ' ' THR . 49.8 t -59.69 -46.93 92.88 Favored 'Isoleucine or valine' 0 C--O 1.24 0.604 0 CA-C-N 115.088 -0.96 . . . . 1.03 110.043 -179.26 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 538' ' ' ILE . . . . . 0.517 HD11 ' CG ' ' A' ' 550' ' ' TYR . 51.6 mt -68.11 -33.0 58.44 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.8 0 CA-C-N 115.274 -0.875 . . . . 1.06 111.301 175.384 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 539' ' ' ASN . . . . . 0.465 ' HA ' HD11 ' A' ' 615' ' ' ILE . 11.5 m120 -57.81 -26.64 62.24 Favored 'General case' 0 N--CA 1.466 0.365 0 C-N-CA 121.023 -0.271 . . . . 0.25 110.508 176.223 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 540' ' ' LEU . . . . . 0.423 HD13 HD12 ' A' ' 588' ' ' LEU . 84.5 mt -75.97 -42.79 47.31 Favored 'General case' 0 C--N 1.323 -0.585 0 C-N-CA 120.453 -0.499 . . . . 1.11 110.013 173.568 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 541' ' ' GLY . . . . . . . . . . . . . . . -65.17 -50.8 55.12 Favored Glycine 0 CA--C 1.526 0.749 0 N-CA-C 115.834 1.094 . . . . 0.19 115.834 -178.053 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 542' ' ' LEU . . . . . 0.578 ' HB2' ' CD1' ' A' ' 615' ' ' ILE . 59.2 mt -63.22 -40.91 65.2 Favored Pre-proline 0 C--N 1.32 -0.687 0 N-CA-C 115.398 1.629 . . . . 1.06 115.398 -168.137 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 543' ' ' PRO . . . . . 0.493 ' HG3' HG23 ' A' ' 615' ' ' ILE . 40.7 Cg_exo -63.4 -26.15 70.88 Favored 'Trans proline' 0 CA--C 1.531 0.334 0 C-N-CA 121.518 1.479 . . . . 0.25 113.33 -178.879 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 544' ' ' PHE . . . . . 0.459 ' HB2' ' HE2' ' A' ' 572' ' ' MET . 87.5 m-85 -101.28 -15.83 17.15 Favored 'General case' 0 C--N 1.331 -0.201 0 C-N-CA 120.667 -0.413 . . . . 0.38 111.643 178.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 545' ' ' GLY . . . . . 0.508 ' O ' ' HA ' ' A' ' 542' ' ' LEU . . . -170.24 179.94 42.13 Favored Glycine 0 C--O 1.224 -0.494 0 C-N-CA 120.342 -0.933 . . . . 0.44 112.357 -176.242 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 546' ' ' LYS . . . . . . . . . . . . . 24.0 ttmm -94.82 122.43 37.44 Favored 'General case' 0 C--N 1.318 -0.783 0 N-CA-C 109.525 -0.546 . . . . 2.62 109.525 -178.034 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 547' ' ' VAL . . . . . 0.557 ' HB ' HG11 ' A' ' 608' ' ' VAL . 81.1 t -88.75 114.94 27.83 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-O 121.001 0.429 . . . . 1.05 110.757 177.62 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 548' ' ' THR . . . . . . . . . . . . . 23.8 p -101.34 -35.53 9.2 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.095 -0.502 . . . . 1.11 112.046 176.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 549' ' ' ASN . . . . . 0.406 ' HB2' ' HB3' ' A' ' 562' ' ' GLU . 6.4 m-20 -140.37 152.01 45.43 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.016 0.436 . . . . 1.49 109.956 -178.645 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 550' ' ' TYR . . . . . 0.517 ' CG ' HD11 ' A' ' 538' ' ' ILE . 7.3 p90 -161.13 151.11 17.31 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.685 -0.689 . . . . 0.96 109.684 -177.439 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 551' ' ' ILE . . . . . 0.485 ' HB ' ' HB2' ' A' ' 560' ' ' PHE . 64.5 mt -144.0 126.47 11.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 N-CA-C 108.346 -0.983 . . . . 1.1 108.346 -175.49 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 552' ' ' LEU . . . . . 0.481 HD11 ' HA ' ' A' ' 534' ' ' GLU . 21.9 mt -107.13 119.88 40.59 Favored 'General case' 0 C--N 1.313 -0.987 0 C-N-CA 120.243 -0.583 . . . . 1.17 111.094 -177.231 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 553' ' ' MET . . . . . . . . . . . . . 68.0 mtm -109.31 81.19 1.4 Allowed 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.911 0.862 . . . . 1.55 109.511 179.774 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 554' ' ' LYS . . . . . 0.542 ' CD ' ' H ' ' A' ' 554' ' ' LYS . 0.2 OUTLIER -53.56 -27.99 29.3 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 114.174 -1.376 . . . . 1.63 112.692 173.15 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 555' ' ' SER . . . . . . . . . . . . . 61.2 p -69.39 -44.24 71.88 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 120.848 0.356 . . . . 0.7 111.113 -174.617 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 556' ' ' THR . . . . . 0.401 ' O ' ' HG3' ' A' ' 558' ' ' GLN . 40.6 p -99.2 4.56 46.76 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 112.422 0.527 . . . . 1.14 112.422 -177.887 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 557' ' ' ASN . . . . . . . . . . . . . 40.0 m-80 59.69 39.84 20.58 Favored 'General case' 0 N--CA 1.468 0.453 0 CA-C-O 121.769 0.795 . . . . 2.03 110.145 -176.581 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 558' ' ' GLN . . . . . 0.496 ' HG2' ' SG ' ' A' ' 525' ' ' CYS . 75.2 mt-30 -139.82 167.74 21.42 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 114.844 -1.071 . . . . 1.24 109.705 -175.528 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 559' ' ' ALA . . . . . . . . . . . . . . . -158.34 166.66 31.73 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.061 0.457 . . . . 1.04 111.783 -179.56 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 560' ' ' PHE . . . . . 0.485 ' HB2' ' HB ' ' A' ' 551' ' ' ILE . 76.7 m-85 -119.15 147.0 44.67 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.916 -0.584 . . . . 0.46 110.785 177.527 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 561' ' ' LEU . . . . . 0.551 ' O ' ' HB ' ' A' ' 522' ' ' VAL . 51.8 tp -138.49 119.59 14.51 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.72 -0.673 . . . . 1.06 110.547 -178.929 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 562' ' ' GLU . . . . . 0.406 ' HB3' ' HB2' ' A' ' 549' ' ' ASN . 43.5 tt0 -99.99 122.67 43.25 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.359 0.599 . . . . 2.09 110.324 176.271 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 563' ' ' MET . . . . . 0.537 ' HB2' ' NH2' ' A' ' 520' ' ' ARG . 18.9 mtt -110.74 147.59 34.11 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.184 -0.916 . . . . 1.06 108.827 -178.836 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 564' ' ' ALA . . . . . . . . . . . . . . . -58.66 -44.85 90.27 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 118.049 0.386 . . . . 1.25 111.626 -168.772 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 565' ' ' TYR . . . . . 0.412 ' CB ' ' HG2' ' A' ' 567' ' ' GLU . 85.5 m-85 -121.97 155.01 36.43 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.314 0.578 . . . . 1.39 111.12 -178.421 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 566' ' ' THR . . . . . 0.495 ' HA ' ' NH1' ' A' ' 520' ' ' ARG . 9.7 t -65.22 -27.37 68.62 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.175 -0.921 . . . . 1.24 110.574 -179.403 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 567' ' ' GLU . . . . . 0.412 ' HG2' ' CB ' ' A' ' 565' ' ' TYR . 10.3 pt-20 -57.32 -31.3 65.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.477 -0.783 . . . . 0.89 111.23 176.877 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 568' ' ' ALA . . . . . 0.644 ' O ' ' HG3' ' A' ' 572' ' ' MET . . . -72.55 -44.0 62.71 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.308 -0.405 . . . . 1.08 110.435 -177.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 569' ' ' ALA . . . . . 0.495 ' HA ' ' SD ' ' A' ' 563' ' ' MET . . . -63.14 -44.27 96.0 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.161 -0.472 . . . . 1.0 111.451 -176.407 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 570' ' ' GLN . . . . . . . . . . . . . 12.9 pt20 -64.94 -40.33 94.86 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.455 -0.338 . . . . 1.72 110.406 -178.547 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 571' ' ' ALA . . . . . . . . . . . . . . . -65.46 -43.4 90.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.113 -0.494 . . . . 1.08 111.116 -178.412 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 572' ' ' MET . . . . . 0.644 ' HG3' ' O ' ' A' ' 568' ' ' ALA . 26.9 mtt -66.32 -47.69 72.72 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.362 -0.381 . . . . 1.05 110.737 -179.37 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 573' ' ' VAL . . . . . 0.629 ' O ' ' HG2' ' A' ' 577' ' ' GLN . 86.7 t -58.43 -46.84 89.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 C-N-CA 121.03 -0.268 . . . . 1.08 110.413 -178.745 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 574' ' ' GLN . . . . . . . . . . . . . 98.4 mt-30 -61.42 -37.13 82.39 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.779 0.323 . . . . 2.79 110.947 178.667 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 575' ' ' TYR . . . . . . . . . . . . . 84.2 t80 -67.08 -51.78 50.15 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.292 -0.413 . . . . 1.09 110.036 179.882 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 576' ' ' TYR . . . . . 0.584 ' HA ' ' O ' ' A' ' 579' ' ' LYS . 65.6 m-85 -72.38 -13.52 61.49 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 112.709 0.633 . . . . 1.03 112.709 -178.08 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 577' ' ' GLN . . . . . 0.629 ' HG2' ' O ' ' A' ' 573' ' ' VAL . 26.5 mm-40 -67.74 -42.97 81.01 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.093 0.473 . . . . 2.14 109.826 170.468 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 578' ' ' GLU . . . . . . . . . . . . . 12.0 mm-40 -85.85 -38.45 18.1 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.843 -0.617 . . . . 2.14 111.3 178.125 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 579' ' ' LYS . . . . . 0.584 ' O ' ' HA ' ' A' ' 576' ' ' TYR . 24.7 mtpp -135.47 93.97 15.83 Favored Pre-proline 0 C--N 1.327 -0.412 0 CA-C-N 116.746 -0.206 . . . . 2.95 110.576 176.236 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 580' ' ' PRO . . . . . . . . . . . . . 43.4 Cg_endo -67.76 161.72 42.59 Favored 'Trans proline' 0 N--CA 1.461 -0.415 0 C-N-CA 122.23 1.953 . . . . 0.51 111.072 174.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 581' ' ' ALA . . . . . 0.443 ' O ' ' HG ' ' A' ' 588' ' ' LEU . . . -90.03 136.18 33.2 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 109.828 -0.434 . . . . 1.09 109.828 -175.859 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 582' ' ' ILE . . . . . . . . . . . . . 30.7 mt -101.26 118.57 48.2 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.77 0 CA-C-N 116.322 -0.399 . . . . 1.19 111.717 -172.784 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 583' ' ' ILE . . . . . . . . . . . . . 29.4 mm -126.75 114.46 37.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 N-CA-C 109.31 -0.626 . . . . 1.21 109.31 174.332 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 584' ' ' ASN . . . . . . . . . . . . . 79.0 m-20 59.66 32.45 21.5 Favored 'General case' 0 N--CA 1.467 0.413 0 CA-C-O 121.217 0.532 . . . . 1.34 110.065 -175.9 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 585' ' ' GLY . . . . . . . . . . . . . . . 76.98 7.77 86.68 Favored Glycine 0 N--CA 1.448 -0.545 0 CA-C-N 115.759 -0.655 . . . . 0.51 112.812 -179.539 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 586' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -105.45 127.41 52.98 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.882 0.372 . . . . 1.79 110.465 179.379 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 587' ' ' LYS . . . . . . . . . . . . . 44.2 mmtm -75.53 127.16 32.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.889 -0.596 . . . . 2.25 111.6 -178.249 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 588' ' ' LEU . . . . . 0.443 ' HG ' ' O ' ' A' ' 581' ' ' ALA . 43.7 mt -89.17 138.19 31.65 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.029 -0.532 . . . . 1.03 110.586 178.691 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 589' ' ' LEU . . . . . . . . . . . . . 51.1 tp -113.9 114.8 26.73 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.281 -0.418 . . . . 1.13 111.076 -179.011 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 590' ' ' ILE . . . . . 0.434 HD11 ' CE2' ' A' ' 576' ' ' TYR . 22.8 mt -102.35 129.98 52.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 N-CA-C 110.198 -0.297 . . . . 1.08 110.198 176.014 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 591' ' ' ARG . . . . . . . . . . . . . 60.0 mtp180 -145.47 163.51 34.46 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.385 -0.371 . . . . 3.18 110.393 -178.077 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 592' ' ' MET . . . . . . . . . . . . . 61.1 mtt -82.72 143.94 30.56 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 109.429 -0.582 . . . . 1.13 109.429 174.196 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 593' ' ' SER . . . . . . . . . . . . . 43.1 t -85.69 130.97 34.43 Favored 'General case' 0 C--O 1.237 0.441 0 CA-C-O 121.541 0.686 . . . . 1.65 111.815 -175.428 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 594' ' ' THR . . . . . . . . . . . . . 19.2 p -89.68 -11.73 41.59 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 114.384 -1.28 . . . . 1.14 110.908 177.458 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 595' ' ' ARG . . . . . . . . . . . . . 62.4 mtp180 -101.02 -29.9 11.92 Favored 'General case' 0 C--N 1.331 -0.201 0 N-CA-C 112.911 0.708 . . . . 3.37 112.911 -171.025 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 596' ' ' TYR . . . . . . . . . . . . . 62.5 m-85 -127.7 152.3 47.9 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 112.69 0.626 . . . . 1.15 112.69 -174.908 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 597' ' ' LYS . . . . . . . . . . . . . 97.2 mttt -108.54 -19.99 13.25 Favored 'General case' 0 C--O 1.222 -0.39 0 CA-C-N 115.144 -0.934 . . . . 2.63 112.173 -179.356 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 598' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -142.05 151.36 42.33 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.295 0.569 . . . . 0.95 111.592 -175.324 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 599' ' ' LEU . . . . . 0.543 HD22 HG12 ' A' ' 521' ' ' VAL . 93.0 mt -117.1 120.84 39.57 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 114.992 -1.003 . . . . 1.18 110.41 177.692 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 600' ' ' GLN . . . . . . . . . . . . . 20.4 pt20 -113.61 137.97 50.84 Favored 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 109.906 -0.405 . . . . 1.65 109.906 179.002 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 601' ' ' LEU . . . . . . . . . . . . . 82.2 mt -87.13 91.86 8.86 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 121.27 0.557 . . . . 1.23 111.238 -177.491 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 602' ' ' LYS . . . . . . . . . . . . . 56.9 mtpt -77.67 -13.6 59.86 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.477 -0.783 . . . . 2.22 110.588 177.248 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 603' ' ' LYS . . . . . . . . . . . . . 34.5 mmtp . . . . . 0 C--N 1.324 -0.529 0 CA-C-N 115.743 -0.662 . . . . 2.26 109.621 177.83 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 607' ' ' ASN . . . . . . . . . . . . . 26.3 t-20 . . . . . 0 C--O 1.233 0.197 0 CA-C-O 120.952 0.406 . . . . 1.8 110.387 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 608' ' ' VAL . . . . . 0.557 HG11 ' HB ' ' A' ' 547' ' ' VAL . 43.7 t -76.74 -26.31 16.3 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 115.833 -0.621 . . . . 1.07 112.365 -171.687 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 609' ' ' ALA . . . . . . . . . . . . . . . -60.82 -36.48 79.19 Favored 'General case' 0 C--O 1.239 0.512 0 CA-C-O 121.631 0.729 . . . . 1.27 110.635 177.432 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 610' ' ' ALA . . . . . . . . . . . . . . . -65.51 -28.59 69.3 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.436 -0.802 . . . . 1.14 110.367 177.229 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 611' ' ' ILE . . . . . . . . . . . . . 72.3 mt -71.21 -29.83 37.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 115.849 -0.614 . . . . 1.03 109.716 178.273 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 612' ' ' ILE . . . . . 0.438 ' CG1' HD11 ' A' ' 542' ' ' LEU . 61.8 mt -60.72 -44.65 97.69 Favored 'Isoleucine or valine' 0 C--O 1.234 0.279 0 N-CA-C 109.529 -0.545 . . . . 1.11 109.529 173.819 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 613' ' ' GLN . . . . . 0.428 ' HA ' ' OE1' ' A' ' 613' ' ' GLN . 14.3 mm-40 -66.04 -29.72 70.13 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.517 -0.765 . . . . 3.02 110.407 178.241 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 614' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -65.94 -45.32 82.27 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.156 -0.929 . . . . 1.95 110.502 176.756 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 615' ' ' ILE . . . . . 0.578 ' CD1' ' HB2' ' A' ' 542' ' ' LEU . 85.3 mt -65.29 -41.76 92.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 120.976 0.417 . . . . 1.08 110.863 179.172 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 616' ' ' HIS . . . . . . . . . . . . . 26.4 m-70 -67.38 -26.83 66.65 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.9 -0.591 . . . . 1.73 110.917 178.752 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 617' ' ' SER . . . . . . . . . . . . . 12.7 t . . . . . 0 N--CA 1.454 -0.259 0 N-CA-C 109.167 -0.679 . . . . 1.77 109.167 172.227 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 520' ' ' ARG . . . . . . . . . . . . . 36.6 mtp85 . . . . . 0 N--CA 1.448 -0.531 0 N-CA-C 109.705 -0.48 . . . . 2.86 109.705 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 521' ' ' VAL . . . . . 0.537 HG12 HD22 ' A' ' 599' ' ' LEU . 94.2 t -117.84 121.19 66.81 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.736 0 CA-C-N 116.104 -0.498 . . . . 1.14 111.26 175.043 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 522' ' ' VAL . . . . . . . . . . . . . 24.2 t -121.11 122.81 68.54 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.782 0 N-CA-C 107.73 -1.211 . . . . 1.05 107.73 172.703 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 523' ' ' HIS . . . . . 0.532 ' HB2' ' OG ' ' A' ' 593' ' ' SER . 50.7 t-80 -104.99 133.72 49.3 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.174 0.512 . . . . 0.57 110.854 -172.569 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 524' ' ' ILE . . . . . 0.441 HG12 HG12 ' A' ' 590' ' ' ILE . 29.2 mt -114.02 129.89 69.16 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.886 0 N-CA-C 108.412 -0.959 . . . . 1.06 108.412 177.265 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 525' ' ' CYS . . . . . 0.506 ' SG ' ' HB3' ' A' ' 589' ' ' LEU . 2.1 p -134.76 165.84 24.34 Favored 'General case' 0 C--N 1.315 -0.927 0 C-N-CA 120.513 -0.475 . . . . 1.75 111.57 -174.521 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 526' ' ' ASN . . . . . 0.476 ' HB2' ' O ' ' A' ' 525' ' ' CYS . 87.7 m-20 86.68 28.69 0.04 OUTLIER 'General case' 0 N--CA 1.468 0.443 0 O-C-N 124.998 1.436 . . . . 0.28 110.032 178.027 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 527' ' ' LEU . . . . . 0.558 ' HB3' ' SG ' ' A' ' 532' ' ' CYS . 82.1 mt -92.96 123.34 61.52 Favored Pre-proline 0 C--N 1.323 -0.544 0 CA-C-N 115.26 -0.882 . . . . 1.04 108.692 177.823 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 528' ' ' PRO . . . . . 0.412 ' HD3' ' HA ' ' A' ' 527' ' ' LEU . 4.3 Cg_exo -74.36 134.21 18.68 Favored 'Trans proline' 0 N--CA 1.461 -0.399 0 C-N-CA 121.54 1.494 . . . . 0.5 111.917 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 529' ' ' GLU . . . . . . . . . . . . . 28.0 tt0 -65.28 130.78 44.58 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 109.85 -0.426 . . . . 1.6 109.85 177.233 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 530' ' ' GLY . . . . . . . . . . . . . . . 94.55 3.24 62.91 Favored Glycine 0 N--CA 1.445 -0.757 0 N-CA-C 110.505 -1.038 . . . . 0.52 110.505 -172.434 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 531' ' ' SER . . . . . . . . . . . . . 50.7 m -145.97 7.61 1.07 Allowed 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.066 0.46 . . . . 1.49 110.385 -178.89 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 532' ' ' CYS . . . . . 0.558 ' SG ' ' HB3' ' A' ' 527' ' ' LEU . 57.5 m -94.18 90.7 6.45 Favored 'General case' 0 CA--C 1.515 -0.399 0 N-CA-C 108.953 -0.758 . . . . 0.25 108.953 179.744 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 533' ' ' THR . . . . . 0.471 ' O ' HG23 ' A' ' 537' ' ' VAL . 25.4 p -102.0 151.25 22.35 Favored 'General case' 0 N--CA 1.442 -0.833 0 C-N-CA 119.515 -0.874 . . . . 1.1 108.701 -178.798 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 534' ' ' GLU . . . . . 0.521 ' HA ' HD12 ' A' ' 552' ' ' LEU . 22.9 mp0 -64.95 -33.64 76.52 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 109.004 -0.739 . . . . 1.64 109.004 178.941 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 535' ' ' ASN . . . . . 0.439 HD22 ' CG ' ' A' ' 614' ' ' ASP . 26.1 t-20 -61.05 -49.05 78.93 Favored 'General case' 0 N--CA 1.443 -0.794 0 CA-C-N 114.506 -1.224 . . . . 1.86 111.535 -178.879 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 536' ' ' ASP . . . . . . . . . . . . . 57.4 m-20 -69.63 -46.22 66.71 Favored 'General case' 0 N--CA 1.473 0.714 0 CA-C-O 121.523 0.678 . . . . 0.61 111.154 -173.916 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 537' ' ' VAL . . . . . 0.471 HG23 ' O ' ' A' ' 533' ' ' THR . 28.0 t -61.32 -47.53 93.05 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 CA-C-N 114.719 -1.128 . . . . 1.03 110.115 -177.356 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 538' ' ' ILE . . . . . 0.534 HD12 ' CD1' ' A' ' 550' ' ' TYR . 62.6 mt -68.41 -33.31 59.53 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-N 115.695 -0.684 . . . . 1.06 111.28 176.525 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 539' ' ' ASN . . . . . . . . . . . . . 9.7 m120 -58.25 -26.41 62.89 Favored 'General case' 0 N--CA 1.468 0.446 0 C-N-CA 120.797 -0.361 . . . . 0.25 110.364 175.874 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 540' ' ' LEU . . . . . . . . . . . . . 87.4 mt -75.51 -41.38 55.34 Favored 'General case' 0 C--N 1.323 -0.556 0 C-N-CA 120.475 -0.49 . . . . 1.11 110.241 174.218 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 541' ' ' GLY . . . . . 0.547 ' HA2' ' SD ' ' A' ' 572' ' ' MET . . . -67.43 -51.69 35.64 Favored Glycine 0 CA--C 1.527 0.824 0 N-CA-C 116.278 1.271 . . . . 0.19 116.278 -178.939 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 542' ' ' LEU . . . . . 0.485 ' HB2' ' CD1' ' A' ' 615' ' ' ILE . 49.7 mt -61.95 -39.63 60.82 Favored Pre-proline 0 C--N 1.319 -0.749 0 N-CA-C 115.628 1.714 . . . . 1.06 115.628 -168.15 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 543' ' ' PRO . . . . . 0.426 ' HG3' HG22 ' A' ' 615' ' ' ILE . 52.5 Cg_exo -60.5 -25.39 80.49 Favored 'Trans proline' 0 C--N 1.345 0.359 0 C-N-CA 121.476 1.451 . . . . 0.25 112.995 -179.197 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 544' ' ' PHE . . . . . . . . . . . . . 92.5 m-85 -103.44 -4.06 24.58 Favored 'General case' 0 C--O 1.233 0.199 0 N-CA-C 111.877 0.325 . . . . 0.38 111.877 -179.178 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 545' ' ' GLY . . . . . . . . . . . . . . . 172.72 -171.14 44.17 Favored Glycine 0 N--CA 1.448 -0.506 0 C-N-CA 119.726 -1.226 . . . . 0.44 113.192 -179.524 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 546' ' ' LYS . . . . . . . . . . . . . 63.3 tttp -95.26 121.96 37.45 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 110.211 -0.292 . . . . 2.62 110.211 -177.706 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 547' ' ' VAL . . . . . 0.536 ' HB ' HG12 ' A' ' 608' ' ' VAL . 77.2 t -87.83 113.85 25.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-N 116.411 -0.359 . . . . 1.05 110.209 174.057 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 548' ' ' THR . . . . . . . . . . . . . 20.8 p -96.9 -35.09 11.01 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.066 -0.516 . . . . 1.11 111.643 177.171 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 549' ' ' ASN . . . . . 0.52 ' OD1' HD11 ' A' ' 601' ' ' LEU . 89.8 m-20 -142.03 160.68 39.72 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.43 0.633 . . . . 1.49 110.623 178.523 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 550' ' ' TYR . . . . . 0.534 ' CD1' HD12 ' A' ' 538' ' ' ILE . 1.6 p90 -160.86 150.75 17.46 Favored 'General case' 0 C--N 1.315 -0.904 0 CA-C-N 114.988 -1.005 . . . . 0.96 109.016 -179.582 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 551' ' ' ILE . . . . . 0.448 ' HB ' ' HB2' ' A' ' 560' ' ' PHE . 77.5 mt -140.01 121.43 15.24 Favored 'Isoleucine or valine' 0 CA--C 1.506 -0.725 0 N-CA-C 108.144 -1.058 . . . . 1.1 108.144 178.664 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 552' ' ' LEU . . . . . 0.521 HD12 ' HA ' ' A' ' 534' ' ' GLU . 18.6 mt -111.76 111.7 22.86 Favored 'General case' 0 C--N 1.311 -1.079 0 C-N-CA 119.497 -0.881 . . . . 1.17 109.544 178.796 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 553' ' ' MET . . . . . . . . . . . . . 2.9 mpp? -100.67 84.42 2.73 Favored 'General case' 0 C--N 1.317 -0.838 0 N-CA-C 108.028 -1.101 . . . . 1.55 108.028 -176.531 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 554' ' ' LYS . . . . . 0.506 ' HD2' ' HB2' ' A' ' 532' ' ' CYS . 19.6 mmtp -52.43 -29.57 25.11 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 114.343 -1.299 . . . . 1.63 111.995 -179.596 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 555' ' ' SER . . . . . . . . . . . . . 63.5 p -69.85 -39.14 76.58 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 120.932 0.396 . . . . 0.7 111.207 -175.64 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 556' ' ' THR . . . . . . . . . . . . . 62.9 p -97.21 3.04 51.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.289 -0.414 . . . . 1.14 111.904 -177.306 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 557' ' ' ASN . . . . . 0.53 ' N ' HD21 ' A' ' 557' ' ' ASN . 0.9 OUTLIER 56.4 38.18 29.48 Favored 'General case' 0 N--CA 1.469 0.508 0 CA-C-O 121.505 0.669 . . . . 2.03 110.727 -178.63 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 558' ' ' GLN . . . . . . . . . . . . . 48.8 mt-30 -144.57 166.79 24.17 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.308 -0.86 . . . . 1.24 109.719 -176.672 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 559' ' ' ALA . . . . . . . . . . . . . . . -156.38 164.36 38.38 Favored 'General case' 0 N--CA 1.449 -0.503 0 CA-C-O 121.487 0.66 . . . . 1.04 112.475 -176.155 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 560' ' ' PHE . . . . . 0.448 ' HB2' ' HB ' ' A' ' 551' ' ' ILE . 91.4 m-85 -120.85 151.43 39.65 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.146 -0.933 . . . . 0.46 110.899 176.351 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 561' ' ' LEU . . . . . . . . . . . . . 47.8 tp -137.39 120.77 17.0 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.788 -0.642 . . . . 1.06 110.029 -179.512 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 562' ' ' GLU . . . . . . . . . . . . . 31.5 tt0 -98.41 132.4 43.9 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.349 0.595 . . . . 2.09 110.425 179.059 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 563' ' ' MET . . . . . 0.543 ' SD ' ' HA ' ' A' ' 569' ' ' ALA . 40.9 mtt -122.28 135.13 54.69 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.119 -0.946 . . . . 1.06 109.769 -174.377 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 564' ' ' ALA . . . . . . . . . . . . . . . -74.44 -16.51 60.86 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 112.694 0.627 . . . . 1.25 112.694 -170.176 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 565' ' ' TYR . . . . . . . . . . . . . 98.5 m-85 -138.16 148.09 44.54 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 120.799 0.333 . . . . 1.39 110.303 -176.436 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 566' ' ' THR . . . . . . . . . . . . . 14.0 t -63.89 -27.38 69.12 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.818 -0.628 . . . . 1.24 110.787 -179.341 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 567' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -56.55 -34.12 66.76 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.592 -0.731 . . . . 0.89 110.926 176.735 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 568' ' ' ALA . . . . . 0.626 ' O ' ' HG3' ' A' ' 572' ' ' MET . . . -74.23 -45.83 45.57 Favored 'General case' 0 N--CA 1.45 -0.444 0 CA-C-N 115.963 -0.562 . . . . 1.08 111.49 -172.672 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 569' ' ' ALA . . . . . 0.543 ' HA ' ' SD ' ' A' ' 563' ' ' MET . . . -65.28 -44.86 86.67 Favored 'General case' 0 N--CA 1.453 -0.282 0 CA-C-N 116.574 -0.284 . . . . 1.0 111.216 -176.256 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 570' ' ' GLN . . . . . . . . . . . . . 13.4 pt20 -68.14 -36.29 79.45 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.558 -0.292 . . . . 1.72 111.123 -179.448 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 571' ' ' ALA . . . . . . . . . . . . . . . -65.56 -46.16 80.56 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-O 120.763 0.316 . . . . 1.08 111.135 -179.338 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 572' ' ' MET . . . . . 0.626 ' HG3' ' O ' ' A' ' 568' ' ' ALA . 23.5 mtt -68.9 -47.65 65.3 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.241 -0.436 . . . . 1.05 111.222 -177.028 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 573' ' ' VAL . . . . . 0.4 HG21 ' O ' ' A' ' 569' ' ' ALA . 81.3 t -58.49 -47.55 87.93 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.369 0 C-N-CA 120.83 -0.348 . . . . 1.08 110.556 -177.426 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 574' ' ' GLN . . . . . . . . . . . . . 49.6 mt-30 -61.32 -38.04 85.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.823 0.344 . . . . 2.79 110.855 179.865 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 575' ' ' TYR . . . . . . . . . . . . . 91.8 t80 -68.93 -53.29 21.76 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.082 -0.508 . . . . 1.09 110.879 -179.085 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 576' ' ' TYR . . . . . 0.434 ' CD2' HD11 ' A' ' 590' ' ' ILE . 84.8 m-85 -75.94 -14.39 60.25 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 112.901 0.704 . . . . 1.03 112.901 -174.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 577' ' ' GLN . . . . . . . . . . . . . 11.5 mm100 -68.78 -43.71 75.16 Favored 'General case' 0 C--N 1.328 -0.339 0 C-N-CA 120.509 -0.477 . . . . 2.14 109.962 172.397 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 578' ' ' GLU . . . . . . . . . . . . . 41.1 mm-40 -88.59 -37.57 15.56 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.037 -0.529 . . . . 2.14 111.747 179.557 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 579' ' ' LYS . . . . . . . . . . . . . 63.4 mttm -131.35 82.29 62.79 Favored Pre-proline 0 C--N 1.324 -0.542 0 N-CA-C 109.338 -0.615 . . . . 2.95 109.338 -177.846 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 580' ' ' PRO . . . . . . . . . . . . . 9.2 Cg_exo -67.86 161.34 44.43 Favored 'Trans proline' 0 N--CA 1.459 -0.553 0 C-N-CA 122.699 2.266 . . . . 0.51 111.831 -177.126 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 581' ' ' ALA . . . . . . . . . . . . . . . -90.71 136.85 32.8 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.363 -0.38 . . . . 1.09 110.127 -176.614 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 582' ' ' ILE . . . . . . . . . . . . . 63.7 mt -100.28 121.21 50.74 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.741 0 CA-C-N 116.212 -0.449 . . . . 1.19 111.402 -175.574 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 583' ' ' ILE . . . . . . . . . . . . . 5.5 mt -126.79 112.01 27.79 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 CA-C-N 115.924 -0.58 . . . . 1.21 109.726 170.31 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 584' ' ' ASN . . . . . . . . . . . . . 96.4 m-20 57.82 34.46 24.41 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-O 121.421 0.629 . . . . 1.34 110.66 -178.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 585' ' ' GLY . . . . . . . . . . . . . . . 84.98 4.29 87.13 Favored Glycine 0 N--CA 1.447 -0.632 0 CA-C-N 115.353 -0.839 . . . . 0.51 113.575 177.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 586' ' ' GLU . . . . . . . . . . . . . 75.1 mm-40 -100.91 126.71 47.56 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 117.163 0.481 . . . . 1.79 111.239 179.717 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 587' ' ' LYS . . . . . . . . . . . . . 72.6 mmtt -73.46 112.49 9.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.443 -0.799 . . . . 2.25 110.365 174.62 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 588' ' ' LEU . . . . . . . . . . . . . 48.1 mt -78.85 136.18 37.25 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 120.762 0.315 . . . . 1.03 110.383 178.607 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 589' ' ' LEU . . . . . 0.506 ' HB3' ' SG ' ' A' ' 525' ' ' CYS . 40.9 tp -112.74 112.93 24.78 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.971 -0.559 . . . . 1.13 110.691 -177.284 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 590' ' ' ILE . . . . . 0.441 HG12 HG12 ' A' ' 524' ' ' ILE . 18.6 mt -103.7 118.48 50.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 N-CA-C 110.127 -0.323 . . . . 1.08 110.127 176.309 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 591' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -146.78 164.94 31.17 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.253 -0.43 . . . . 3.18 109.85 -178.374 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 592' ' ' MET . . . . . . . . . . . . . 62.0 mtt -83.58 142.81 30.57 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 110.107 -0.331 . . . . 1.13 110.107 -178.499 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 593' ' ' SER . . . . . 0.532 ' OG ' ' HB2' ' A' ' 523' ' ' HIS . 55.6 m -86.67 141.27 29.06 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.278 0.561 . . . . 1.65 112.098 -175.909 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 594' ' ' THR . . . . . . . . . . . . . 19.5 p -91.62 -17.04 26.15 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.064 -0.971 . . . . 1.14 112.335 -178.583 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 595' ' ' ARG . . . . . . . . . . . . . 73.4 mtp180 -101.63 -31.55 10.77 Favored 'General case' 0 C--N 1.329 -0.285 0 C-N-CA 120.389 -0.524 . . . . 3.37 112.074 -171.088 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 596' ' ' TYR . . . . . . . . . . . . . 69.0 m-85 -115.19 139.17 50.16 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 121.107 0.48 . . . . 1.15 111.583 -176.111 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 597' ' ' LYS . . . . . 0.527 ' N ' ' HD2' ' A' ' 597' ' ' LYS . 10.1 mptt -109.05 -7.82 15.28 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.163 -0.926 . . . . 2.63 110.434 177.504 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 598' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -143.09 151.78 41.12 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.978 0.418 . . . . 0.95 110.843 -175.703 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 599' ' ' LEU . . . . . 0.537 HD22 HG12 ' A' ' 521' ' ' VAL . 85.9 mt -115.88 119.63 36.59 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.542 -0.754 . . . . 1.18 110.455 -179.537 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 600' ' ' GLN . . . . . . . . . . . . . 30.1 tt0 -104.27 126.38 51.33 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.834 -0.621 . . . . 1.65 110.967 -179.681 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 601' ' ' LEU . . . . . 0.52 HD11 ' OD1' ' A' ' 549' ' ' ASN . 54.9 mt -84.02 90.57 7.46 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.149 -0.478 . . . . 1.23 111.251 -179.674 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 602' ' ' LYS . . . . . . . . . . . . . 54.7 mtpt -75.61 -20.7 58.36 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.194 0.521 . . . . 2.22 110.232 173.204 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 603' ' ' LYS . . . . . . . . . . . . . 33.9 mmtp . . . . . 0 C--N 1.323 -0.583 0 CA-C-N 115.725 -0.67 . . . . 2.26 109.375 177.1 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 607' ' ' ASN . . . . . . . . . . . . . 51.7 t-20 . . . . . 0 C--O 1.232 0.169 0 CA-C-O 121.329 0.585 . . . . 1.8 111.209 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 608' ' ' VAL . . . . . 0.536 HG12 ' HB ' ' A' ' 547' ' ' VAL . 71.5 t -95.71 -27.13 4.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-N 115.158 -0.928 . . . . 1.07 110.695 -178.369 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 609' ' ' ALA . . . . . . . . . . . . . . . -61.93 -34.92 76.96 Favored 'General case' 0 C--O 1.239 0.508 0 CA-C-O 121.516 0.674 . . . . 1.27 110.387 176.314 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 610' ' ' ALA . . . . . . . . . . . . . . . -65.1 -27.07 68.51 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.506 -0.77 . . . . 1.14 110.274 175.885 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 611' ' ' ILE . . . . . 0.432 ' HB ' ' O ' ' A' ' 608' ' ' VAL . 74.9 mt -71.33 -31.4 43.45 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 115.726 -0.67 . . . . 1.03 109.646 177.331 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 612' ' ' ILE . . . . . 0.473 ' CG1' HD12 ' A' ' 542' ' ' LEU . 58.3 mt -61.15 -41.45 89.46 Favored 'Isoleucine or valine' 0 C--O 1.234 0.284 0 CA-C-O 120.913 0.387 . . . . 1.11 110.008 173.613 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 613' ' ' GLN . . . . . . . . . . . . . 71.1 mt-30 -61.9 -37.63 85.32 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 115.72 -0.673 . . . . 3.02 109.505 176.58 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 614' ' ' ASP . . . . . 0.439 ' CG ' HD22 ' A' ' 535' ' ' ASN . 15.8 t70 -64.89 -45.37 86.22 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 114.58 -1.191 . . . . 1.95 111.243 -177.771 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 615' ' ' ILE . . . . . 0.485 ' CD1' ' HB2' ' A' ' 542' ' ' LEU . 87.4 mt -59.16 -48.62 86.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.125 -0.489 . . . . 1.08 110.87 179.16 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 616' ' ' HIS . . . . . . . . . . . . . 50.6 m-70 -70.53 -27.69 64.35 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.807 -0.633 . . . . 1.73 111.205 -179.779 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 617' ' ' SER . . . . . . . . . . . . . 15.9 t . . . . . 0 C--N 1.325 -0.46 0 CA-C-N 116.265 -0.425 . . . . 1.77 110.544 178.261 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 520' ' ' ARG . . . . . 0.417 HH11 ' HD3' ' A' ' 520' ' ' ARG . 16.9 mtm-85 . . . . . 0 N--CA 1.451 -0.38 0 CA-C-O 121.077 0.465 . . . . 2.86 110.929 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 521' ' ' VAL . . . . . 0.481 HG13 HD22 ' A' ' 599' ' ' LEU . 85.9 t -117.74 121.14 66.72 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.828 0 CA-C-N 115.708 -0.678 . . . . 1.14 109.894 165.155 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 522' ' ' VAL . . . . . 0.543 ' HB ' ' O ' ' A' ' 561' ' ' LEU . 27.0 t -120.12 121.97 67.2 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.87 0 N-CA-C 107.725 -1.213 . . . . 1.05 107.725 177.225 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 523' ' ' HIS . . . . . . . . . . . . . 37.1 t-80 -105.28 132.23 51.74 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-O 121.268 0.556 . . . . 0.57 111.008 -171.047 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 524' ' ' ILE . . . . . 0.419 HG12 HG12 ' A' ' 590' ' ' ILE . 28.0 mt -113.67 141.3 30.1 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.844 0 N-CA-C 108.594 -0.891 . . . . 1.06 108.594 177.523 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 525' ' ' CYS . . . . . 0.483 ' O ' ' HB2' ' A' ' 526' ' ' ASN . 1.2 p -143.77 166.21 25.52 Favored 'General case' 0 C--N 1.311 -1.075 0 C-N-CA 120.555 -0.458 . . . . 1.75 111.86 -175.586 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 526' ' ' ASN . . . . . 0.483 ' HB2' ' O ' ' A' ' 525' ' ' CYS . 93.9 m-20 85.77 26.47 0.06 Allowed 'General case' 0 N--CA 1.469 0.519 0 O-C-N 124.934 1.396 . . . . 0.28 110.409 178.158 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 527' ' ' LEU . . . . . 0.461 ' HB3' ' SG ' ' A' ' 532' ' ' CYS . 83.6 mt -85.4 124.79 71.2 Favored Pre-proline 0 C--N 1.322 -0.606 0 N-CA-C 108.794 -0.817 . . . . 1.04 108.794 178.9 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 528' ' ' PRO . . . . . 0.402 ' HD3' ' HA ' ' A' ' 527' ' ' LEU . 8.4 Cg_exo -70.5 134.76 27.13 Favored 'Trans proline' 0 N--CA 1.458 -0.606 0 C-N-CA 121.438 1.426 . . . . 0.5 111.861 -178.438 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 529' ' ' GLU . . . . . . . . . . . . . 28.7 tt0 -64.6 130.77 44.89 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.666 -0.697 . . . . 1.6 109.86 178.092 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 530' ' ' GLY . . . . . . . . . . . . . . . 89.95 4.07 72.65 Favored Glycine 0 N--CA 1.447 -0.591 0 C-N-CA 119.999 -1.096 . . . . 0.52 111.22 -173.319 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 531' ' ' SER . . . . . . . . . . . . . 16.6 m -143.9 5.9 1.36 Allowed 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.133 0.492 . . . . 1.49 110.015 -176.324 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 532' ' ' CYS . . . . . 0.461 ' SG ' ' HB3' ' A' ' 527' ' ' LEU . 56.0 m -91.76 88.9 6.86 Favored 'General case' 0 CA--C 1.513 -0.452 0 N-CA-C 109.023 -0.732 . . . . 0.25 109.023 -179.729 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 533' ' ' THR . . . . . 0.533 ' O ' HG21 ' A' ' 537' ' ' VAL . 32.2 p -99.67 152.24 20.3 Favored 'General case' 0 C--N 1.317 -0.839 0 C-N-CA 119.672 -0.811 . . . . 1.1 108.932 -179.458 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 534' ' ' GLU . . . . . 0.514 ' N ' HD13 ' A' ' 552' ' ' LEU . 41.4 mt-10 -65.83 -35.01 79.47 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 108.959 -0.756 . . . . 1.64 108.959 178.074 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 535' ' ' ASN . . . . . . . . . . . . . 6.0 m-20 -63.96 -46.69 83.52 Favored 'General case' 0 C--O 1.213 -0.852 0 CA-C-N 114.76 -1.109 . . . . 1.86 111.582 -178.768 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 536' ' ' ASP . . . . . . . . . . . . . 16.9 m-20 -69.05 -44.92 71.66 Favored 'General case' 0 N--CA 1.472 0.668 0 CA-C-N 118.505 0.593 . . . . 0.61 111.479 -173.645 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 537' ' ' VAL . . . . . 0.533 HG21 ' O ' ' A' ' 533' ' ' THR . 38.5 t -60.07 -47.65 91.06 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.729 0 CA-C-N 115.048 -0.978 . . . . 1.03 109.844 -179.271 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 538' ' ' ILE . . . . . 0.669 HD12 ' CG ' ' A' ' 550' ' ' TYR . 75.5 mt -68.04 -33.78 63.02 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.82 0 CA-C-N 115.015 -0.993 . . . . 1.06 111.331 176.555 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 539' ' ' ASN . . . . . 0.46 ' HA ' HD13 ' A' ' 615' ' ' ILE . 9.6 m120 -59.01 -26.37 64.49 Favored 'General case' 0 CA--C 1.513 -0.465 0 O-C-N 122.342 -0.224 . . . . 0.25 110.555 176.542 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 540' ' ' LEU . . . . . 0.404 HD12 HD11 ' A' ' 588' ' ' LEU . 85.2 mt -75.0 -41.03 60.29 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 109.865 -0.42 . . . . 1.11 109.865 173.526 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 541' ' ' GLY . . . . . 0.467 ' HA2' ' SD ' ' A' ' 572' ' ' MET . . . -67.42 -52.73 29.04 Favored Glycine 0 CA--C 1.524 0.653 0 N-CA-C 115.453 0.941 . . . . 0.19 115.453 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 542' ' ' LEU . . . . . 0.52 ' HA ' ' O ' ' A' ' 545' ' ' GLY . 45.4 mt -56.19 -45.19 99.94 Favored Pre-proline 0 C--N 1.321 -0.669 0 N-CA-C 115.208 1.559 . . . . 1.06 115.208 -167.61 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 543' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_exo -59.9 -26.64 82.91 Favored 'Trans proline' 0 C--N 1.346 0.445 0 C-N-CA 122.036 1.824 . . . . 0.25 113.169 -178.651 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 544' ' ' PHE . . . . . 0.441 ' HB2' ' HE1' ' A' ' 572' ' ' MET . 99.7 m-85 -99.89 -16.81 17.88 Favored 'General case' 0 C--N 1.332 -0.166 0 C-N-CA 120.947 -0.301 . . . . 0.38 111.54 177.753 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 545' ' ' GLY . . . . . 0.52 ' O ' ' HA ' ' A' ' 542' ' ' LEU . . . -178.69 151.87 10.82 Favored Glycine 0 C--O 1.226 -0.394 0 C-N-CA 120.595 -0.812 . . . . 0.44 112.261 179.196 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 546' ' ' LYS . . . . . . . . . . . . . 40.4 ttmt -66.27 128.0 34.41 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.97 0.414 . . . . 2.62 110.688 -178.626 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 547' ' ' VAL . . . . . 0.539 ' HB ' HG11 ' A' ' 608' ' ' VAL . 70.8 t -90.24 116.55 31.79 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-N 115.862 -0.608 . . . . 1.05 110.918 -179.218 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 548' ' ' THR . . . . . . . . . . . . . 26.0 p -95.04 -34.81 12.18 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.049 -0.523 . . . . 1.11 111.876 -178.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 549' ' ' ASN . . . . . 0.435 ' HB2' ' CB ' ' A' ' 562' ' ' GLU . 16.0 m120 -143.35 156.4 44.68 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.214 -0.448 . . . . 1.49 110.366 -177.845 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 550' ' ' TYR . . . . . 0.669 ' CG ' HD12 ' A' ' 538' ' ' ILE . 3.7 p90 -160.55 152.1 19.55 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.117 -0.492 . . . . 0.96 109.909 -177.61 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 551' ' ' ILE . . . . . 0.484 ' HB ' ' HB2' ' A' ' 560' ' ' PHE . 67.0 mt -144.92 127.13 9.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 N-CA-C 108.592 -0.892 . . . . 1.1 108.592 -177.314 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 552' ' ' LEU . . . . . 0.514 HD13 ' N ' ' A' ' 534' ' ' GLU . 21.9 mt -107.23 123.25 48.02 Favored 'General case' 0 C--N 1.318 -0.796 0 C-N-CA 120.159 -0.616 . . . . 1.17 111.197 -178.856 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 553' ' ' MET . . . . . 0.453 ' HE3' ' OG1' ' A' ' 556' ' ' THR . 9.9 mtp -110.07 79.24 1.19 Allowed 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 108.876 -0.787 . . . . 1.55 108.876 178.745 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 554' ' ' LYS . . . . . 0.431 ' HD2' ' HB2' ' A' ' 532' ' ' CYS . 22.6 mmtp -54.63 -28.76 49.15 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.24 -0.891 . . . . 1.63 112.747 175.112 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 555' ' ' SER . . . . . . . . . . . . . 63.3 p -69.13 -43.55 74.15 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 120.903 0.382 . . . . 0.7 111.169 -173.184 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 556' ' ' THR . . . . . 0.453 ' OG1' ' HE3' ' A' ' 553' ' ' MET . 51.1 p -100.76 4.14 42.75 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 112.227 0.454 . . . . 1.14 112.227 -176.149 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 557' ' ' ASN . . . . . . . . . . . . . 81.4 m-20 59.68 43.19 15.9 Favored 'General case' 0 N--CA 1.468 0.456 0 CA-C-O 121.709 0.766 . . . . 2.03 110.141 -175.425 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 558' ' ' GLN . . . . . . . . . . . . . 79.4 mt-30 -137.03 167.74 20.93 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 114.99 -1.005 . . . . 1.24 109.71 -177.038 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 559' ' ' ALA . . . . . . . . . . . . . . . -159.13 165.06 34.63 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.054 0.454 . . . . 1.04 111.379 176.729 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 560' ' ' PHE . . . . . 0.484 ' HB2' ' HB ' ' A' ' 551' ' ' ILE . 86.3 m-85 -119.59 146.72 45.26 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.226 -0.443 . . . . 0.46 110.89 176.067 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 561' ' ' LEU . . . . . 0.543 ' O ' ' HB ' ' A' ' 522' ' ' VAL . 51.3 tp -136.88 119.31 15.81 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.744 -0.662 . . . . 1.06 110.45 -178.091 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 562' ' ' GLU . . . . . 0.435 ' CB ' ' HB2' ' A' ' 549' ' ' ASN . 0.0 OUTLIER -102.96 136.7 42.3 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.249 0.547 . . . . 2.09 110.212 176.925 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 563' ' ' MET . . . . . 0.574 ' SD ' ' HA ' ' A' ' 569' ' ' ALA . 32.2 mtt -120.54 163.61 17.72 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 115.322 -0.854 . . . . 1.06 109.583 -171.876 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 564' ' ' ALA . . . . . . . . . . . . . . . -62.29 -43.02 99.79 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 118.308 0.504 . . . . 1.25 111.708 -174.355 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 565' ' ' TYR . . . . . . . . . . . . . 64.1 m-85 -136.08 158.87 43.37 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.193 -0.458 . . . . 1.39 110.583 -177.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 566' ' ' THR . . . . . . . . . . . . . 15.4 t -66.29 -26.9 67.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.976 -0.556 . . . . 1.24 110.816 -179.665 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 567' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -56.67 -31.77 64.75 Favored 'General case' 0 C--O 1.231 0.131 0 CA-C-N 116.101 -0.499 . . . . 0.89 110.739 176.158 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 568' ' ' ALA . . . . . 0.643 ' O ' ' HG3' ' A' ' 572' ' ' MET . . . -73.75 -41.91 61.85 Favored 'General case' 0 N--CA 1.449 -0.486 0 CA-C-N 116.124 -0.489 . . . . 1.08 110.075 -179.662 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 569' ' ' ALA . . . . . 0.574 ' HA ' ' SD ' ' A' ' 563' ' ' MET . . . -64.55 -45.34 87.54 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.033 -0.531 . . . . 1.0 111.263 -175.844 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 570' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -66.14 -35.93 81.79 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.17 -0.468 . . . . 1.72 110.202 -179.258 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 571' ' ' ALA . . . . . . . . . . . . . . . -67.46 -43.95 79.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.782 -0.644 . . . . 1.08 110.979 -179.635 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 572' ' ' MET . . . . . 0.643 ' HG3' ' O ' ' A' ' 568' ' ' ALA . 29.1 mtt -67.72 -42.95 81.11 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.469 -0.332 . . . . 1.05 110.82 -178.41 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 573' ' ' VAL . . . . . 0.584 ' O ' ' HG3' ' A' ' 577' ' ' GLN . 79.0 t -58.39 -47.06 88.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 N-CA-C 110.058 -0.349 . . . . 1.08 110.058 179.662 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 574' ' ' GLN . . . . . . . . . . . . . 86.5 mm-40 -61.55 -37.74 84.89 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.418 -0.356 . . . . 2.79 111.217 179.07 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 575' ' ' TYR . . . . . . . . . . . . . 83.5 t80 -68.98 -53.42 20.77 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.262 -0.426 . . . . 1.09 110.96 -178.275 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 576' ' ' TYR . . . . . 0.533 ' HD2' ' O ' ' A' ' 572' ' ' MET . 97.3 m-85 -73.53 -13.41 61.03 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 112.872 0.693 . . . . 1.03 112.872 -174.829 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 577' ' ' GLN . . . . . 0.584 ' HG3' ' O ' ' A' ' 573' ' ' VAL . 25.5 mt-30 -71.77 -42.87 66.65 Favored 'General case' 0 C--N 1.324 -0.506 0 C-N-CA 120.423 -0.511 . . . . 2.14 109.844 172.657 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 578' ' ' GLU . . . . . . . . . . . . . 10.2 mm-40 -88.53 -38.27 15.06 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.009 -0.541 . . . . 2.14 111.031 -178.848 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 579' ' ' LYS . . . . . . . . . . . . . 56.4 mtpt -129.26 87.55 53.45 Favored Pre-proline 0 C--N 1.327 -0.407 0 CA-C-O 120.797 0.332 . . . . 2.95 110.501 176.625 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 580' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_endo -70.51 161.39 46.2 Favored 'Trans proline' 0 N--CA 1.463 -0.277 0 C-N-CA 122.626 2.217 . . . . 0.51 112.227 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 581' ' ' ALA . . . . . 0.434 ' O ' ' HG ' ' A' ' 588' ' ' LEU . . . -92.68 137.25 32.53 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 109.101 -0.703 . . . . 1.09 109.101 177.507 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 582' ' ' ILE . . . . . . . . . . . . . 51.3 mt -104.3 124.16 58.6 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.735 0 CA-C-O 120.886 0.374 . . . . 1.19 110.981 -176.54 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 583' ' ' ILE . . . . . . . . . . . . . 29.5 mm -125.47 111.65 28.15 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 N-CA-C 108.89 -0.781 . . . . 1.21 108.89 173.372 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 584' ' ' ASN . . . . . . . . . . . . . 95.1 m-20 57.6 34.42 24.51 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-O 121.407 0.622 . . . . 1.34 110.542 -178.631 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 585' ' ' GLY . . . . . . . . . . . . . . . 84.75 6.0 85.87 Favored Glycine 0 N--CA 1.445 -0.758 0 CA-C-N 115.48 -0.782 . . . . 0.51 113.412 177.558 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 586' ' ' GLU . . . . . . . . . . . . . 37.5 mm-40 -101.24 124.62 47.23 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 117.132 0.466 . . . . 1.79 110.423 177.761 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 587' ' ' LYS . . . . . . . . . . . . . 66.9 mttm -76.42 119.56 20.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.126 -0.488 . . . . 2.25 110.838 173.747 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 588' ' ' LEU . . . . . 0.434 ' HG ' ' O ' ' A' ' 581' ' ' ALA . 46.9 mt -83.38 138.63 33.42 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.234 -0.439 . . . . 1.03 111.023 -178.654 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 589' ' ' LEU . . . . . . . . . . . . . 65.3 tp -113.08 114.77 27.3 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.859 -0.61 . . . . 1.13 110.834 -179.432 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 590' ' ' ILE . . . . . 0.455 HD12 ' CD2' ' A' ' 576' ' ' TYR . 22.7 mt -102.81 125.21 57.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 N-CA-C 110.142 -0.318 . . . . 1.08 110.142 175.084 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 591' ' ' ARG . . . . . . . . . . . . . 61.5 mtp180 -147.38 165.4 30.32 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 109.835 -0.432 . . . . 3.18 109.835 -176.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 592' ' ' MET . . . . . . . . . . . . . 62.6 mtt -82.42 143.84 30.9 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 109.691 -0.485 . . . . 1.13 109.691 177.579 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 593' ' ' SER . . . . . . . . . . . . . 47.6 t -85.55 137.8 32.63 Favored 'General case' 0 C--O 1.236 0.382 0 CA-C-O 121.062 0.458 . . . . 1.65 111.412 -176.149 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 594' ' ' THR . . . . . . . . . . . . . 23.2 p -91.23 -16.4 27.7 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 114.843 -1.072 . . . . 1.14 111.914 -179.227 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 595' ' ' ARG . . . . . . . . . . . . . 64.5 mtp180 -100.68 -28.03 13.06 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 112.731 0.641 . . . . 3.37 112.731 -168.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 596' ' ' TYR . . . . . . . . . . . . . 90.7 m-85 -127.43 147.64 50.29 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 121.068 0.461 . . . . 1.15 111.685 -177.297 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 597' ' ' LYS . . . . . 0.473 ' N ' ' HD2' ' A' ' 597' ' ' LYS . 11.7 mptt -107.66 -13.9 14.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.607 -0.724 . . . . 2.63 111.828 178.826 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 598' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -143.24 150.77 39.76 Favored 'General case' 0 C--N 1.326 -0.441 0 C-N-CA 120.65 -0.42 . . . . 0.95 110.968 178.7 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 599' ' ' LEU . . . . . 0.481 HD22 HG13 ' A' ' 521' ' ' VAL . 37.9 mt -102.41 122.75 44.91 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.594 -0.73 . . . . 1.18 111.462 177.101 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 600' ' ' GLN . . . . . . . . . . . . . 24.7 tt0 -103.71 123.57 47.27 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.361 -0.836 . . . . 1.65 110.441 178.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 601' ' ' LEU . . . . . . . . . . . . . 54.9 mt -82.98 97.87 8.95 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.942 0.401 . . . . 1.23 111.304 179.849 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 602' ' ' LYS . . . . . . . . . . . . . 52.2 mtmt -81.82 -16.61 50.29 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.15 0.5 . . . . 2.22 110.298 173.833 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 603' ' ' LYS . . . . . . . . . . . . . 34.4 mmtp . . . . . 0 C--N 1.324 -0.541 0 CA-C-N 115.981 -0.554 . . . . 2.26 110.062 -178.452 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 607' ' ' ASN . . . . . . . . . . . . . 49.0 t30 . . . . . 0 N--CA 1.454 -0.252 0 N-CA-C 109.847 -0.427 . . . . 1.8 109.847 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 608' ' ' VAL . . . . . 0.539 HG11 ' HB ' ' A' ' 547' ' ' VAL . 72.7 t -83.19 -21.04 9.06 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.713 0 CA-C-N 115.801 -0.636 . . . . 1.07 110.635 -175.241 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 609' ' ' ALA . . . . . . . . . . . . . . . -62.09 -33.05 73.7 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.303 0.573 . . . . 1.27 110.364 172.829 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 610' ' ' ALA . . . . . . . . . . . . . . . -66.02 -29.66 70.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.808 -0.633 . . . . 1.14 109.868 176.389 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 611' ' ' ILE . . . . . . . . . . . . . 74.5 mt -70.6 -30.11 41.11 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 115.607 -0.724 . . . . 1.03 109.466 178.602 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 612' ' ' ILE . . . . . 0.412 ' CG1' HD13 ' A' ' 542' ' ' LEU . 69.8 mt -60.92 -39.49 82.21 Favored 'Isoleucine or valine' 0 C--O 1.235 0.296 0 CA-C-O 121.218 0.532 . . . . 1.11 109.721 171.459 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 613' ' ' GLN . . . . . . . . . . . . . 30.5 mm-40 -63.95 -31.51 72.71 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.719 -0.673 . . . . 3.02 110.303 177.326 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 614' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -65.6 -45.47 83.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.793 -0.64 . . . . 1.95 110.254 177.214 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 615' ' ' ILE . . . . . 0.466 ' CD1' ' HB2' ' A' ' 542' ' ' LEU . 85.6 mt -62.26 -46.14 97.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 115.932 -0.577 . . . . 1.08 110.823 178.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 616' ' ' HIS . . . . . . . . . . . . . 48.7 m170 -63.27 -34.59 78.01 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.736 -0.666 . . . . 1.73 110.912 -179.822 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 617' ' ' SER . . . . . . . . . . . . . 64.8 m . . . . . 0 C--N 1.327 -0.398 0 CA-C-N 116.315 -0.402 . . . . 1.77 110.721 176.601 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 520' ' ' ARG . . . . . . . . . . . . . 8.6 mtm-85 . . . . . 0 N--CA 1.451 -0.389 0 CA-C-O 121.075 0.464 . . . . 2.86 110.54 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 521' ' ' VAL . . . . . 0.469 HG11 HD21 ' A' ' 599' ' ' LEU . 86.2 t -117.36 121.6 68.0 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.007 0 CA-C-N 115.664 -0.698 . . . . 1.14 110.168 169.355 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 522' ' ' VAL . . . . . 0.46 ' HB ' ' O ' ' A' ' 561' ' ' LEU . 23.8 t -120.31 121.03 64.61 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.856 0 N-CA-C 107.724 -1.213 . . . . 1.05 107.724 178.306 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 523' ' ' HIS . . . . . 0.442 ' HB2' ' OG ' ' A' ' 593' ' ' SER . 55.1 t-80 -105.75 134.62 48.58 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-O 121.163 0.506 . . . . 0.57 110.747 -172.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 524' ' ' ILE . . . . . 0.429 HG12 HG12 ' A' ' 590' ' ' ILE . 28.1 mt -113.68 140.07 35.97 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.877 0 N-CA-C 108.431 -0.951 . . . . 1.06 108.431 177.488 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 525' ' ' CYS . . . . . 0.533 ' SG ' ' HB3' ' A' ' 589' ' ' LEU . 4.1 p -140.0 166.22 25.23 Favored 'General case' 0 C--N 1.314 -0.943 0 C-N-CA 120.503 -0.479 . . . . 1.75 111.669 -175.921 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 526' ' ' ASN . . . . . 0.494 ' HB2' ' O ' ' A' ' 525' ' ' CYS . 92.9 m-20 86.73 28.0 0.04 OUTLIER 'General case' 0 N--CA 1.471 0.593 0 O-C-N 124.991 1.432 . . . . 0.28 109.984 177.316 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 527' ' ' LEU . . . . . 0.543 ' HB3' ' SG ' ' A' ' 532' ' ' CYS . 81.0 mt -90.1 123.77 65.05 Favored Pre-proline 0 C--N 1.323 -0.57 0 CA-C-N 115.274 -0.875 . . . . 1.04 109.057 177.938 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 528' ' ' PRO . . . . . 0.407 ' HD3' ' HA ' ' A' ' 527' ' ' LEU . 8.3 Cg_exo -73.05 134.55 21.55 Favored 'Trans proline' 0 N--CA 1.46 -0.489 0 C-N-CA 121.733 1.622 . . . . 0.5 111.978 179.773 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 529' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -65.53 129.34 39.4 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 109.348 -0.612 . . . . 1.6 109.348 178.249 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 530' ' ' GLY . . . . . . . . . . . . . . . 94.88 4.2 61.79 Favored Glycine 0 N--CA 1.448 -0.523 0 C-N-CA 120.176 -1.011 . . . . 0.52 110.95 -172.569 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 531' ' ' SER . . . . . . . . . . . . . 64.8 m -150.36 9.81 0.65 Allowed 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.13 0.49 . . . . 1.49 110.309 -178.499 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 532' ' ' CYS . . . . . 0.543 ' SG ' ' HB3' ' A' ' 527' ' ' LEU . 41.4 m -92.21 85.95 5.61 Favored 'General case' 0 CA--C 1.513 -0.449 0 N-CA-C 108.51 -0.922 . . . . 0.25 108.51 177.115 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 533' ' ' THR . . . . . 0.508 ' O ' HG21 ' A' ' 537' ' ' VAL . 28.3 p -96.19 152.91 18.12 Favored 'General case' 0 N--CA 1.441 -0.89 0 C-N-CA 119.601 -0.84 . . . . 1.1 108.848 -178.246 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 534' ' ' GLU . . . . . 0.532 ' HA ' HD13 ' A' ' 552' ' ' LEU . 43.9 mt-10 -65.11 -34.79 79.24 Favored 'General case' 0 C--N 1.317 -0.837 0 N-CA-C 108.671 -0.863 . . . . 1.64 108.671 176.562 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 535' ' ' ASN . . . . . . . . . . . . . 4.6 m-20 -63.94 -48.29 77.11 Favored 'General case' 0 C--O 1.211 -0.964 0 CA-C-N 114.629 -1.169 . . . . 1.86 111.513 -176.68 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 536' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -69.88 -45.28 68.01 Favored 'General case' 0 N--CA 1.475 0.78 0 CA-C-N 118.604 0.638 . . . . 0.61 111.411 -173.878 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 537' ' ' VAL . . . . . 0.508 HG21 ' O ' ' A' ' 533' ' ' THR . 39.2 t -59.77 -47.89 89.64 Favored 'Isoleucine or valine' 0 C--O 1.243 0.712 0 CA-C-O 122.269 1.033 . . . . 1.03 110.039 -179.453 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 538' ' ' ILE . . . . . 0.591 HD12 ' CG ' ' A' ' 550' ' ' TYR . 72.6 mt -68.51 -32.25 54.54 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.904 0 CA-C-N 115.013 -0.994 . . . . 1.06 111.409 176.129 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 539' ' ' ASN . . . . . 0.445 ' HA ' HD13 ' A' ' 615' ' ' ILE . 10.1 m120 -57.38 -27.88 62.7 Favored 'General case' 0 CA--C 1.513 -0.479 0 N-CA-C 109.98 -0.378 . . . . 0.25 109.98 175.495 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 540' ' ' LEU . . . . . 0.42 HD11 HD11 ' A' ' 588' ' ' LEU . 76.6 mt -75.35 -41.61 56.19 Favored 'General case' 0 C--N 1.32 -0.675 0 C-N-CA 120.722 -0.391 . . . . 1.11 109.993 175.366 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 541' ' ' GLY . . . . . 0.586 ' HA2' ' SD ' ' A' ' 572' ' ' MET . . . -67.3 -51.87 35.12 Favored Glycine 0 CA--C 1.528 0.851 0 N-CA-C 116.034 1.174 . . . . 0.19 116.034 -179.02 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 542' ' ' LEU . . . . . 0.52 ' HB2' ' CD1' ' A' ' 615' ' ' ILE . 62.1 mt -59.98 -40.91 82.01 Favored Pre-proline 0 C--N 1.318 -0.774 0 N-CA-C 115.443 1.645 . . . . 1.06 115.443 -167.768 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 543' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_exo -60.11 -22.96 71.92 Favored 'Trans proline' 0 CA--C 1.534 0.512 0 C-N-CA 121.787 1.658 . . . . 0.25 113.574 -178.656 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 544' ' ' PHE . . . . . 0.408 ' HB2' ' HE1' ' A' ' 572' ' ' MET . 92.6 m-85 -104.41 -13.52 16.05 Favored 'General case' 0 C--O 1.234 0.262 0 O-C-N 122.07 -0.394 . . . . 0.38 111.941 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 545' ' ' GLY . . . . . 0.469 ' O ' ' HA ' ' A' ' 542' ' ' LEU . . . -178.04 -174.63 44.52 Favored Glycine 0 C--O 1.225 -0.453 0 C-N-CA 120.573 -0.822 . . . . 0.44 112.292 -177.29 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 546' ' ' LYS . . . . . . . . . . . . . 63.2 tttp -95.7 122.97 39.03 Favored 'General case' 0 C--N 1.321 -0.659 0 O-C-N 122.304 -0.527 . . . . 2.62 110.107 -177.443 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 547' ' ' VAL . . . . . 0.515 ' HB ' HG11 ' A' ' 608' ' ' VAL . 77.2 t -85.18 114.26 24.98 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-O 120.915 0.388 . . . . 1.05 109.973 175.72 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 548' ' ' THR . . . . . . . . . . . . . 25.0 p -98.04 -35.02 10.57 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.993 -0.548 . . . . 1.11 111.598 179.384 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 549' ' ' ASN . . . . . 0.413 ' HB2' ' CB ' ' A' ' 562' ' ' GLU . 17.0 m120 -141.87 153.58 44.54 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.082 -0.508 . . . . 1.49 109.751 -178.917 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 550' ' ' TYR . . . . . 0.591 ' CG ' HD12 ' A' ' 538' ' ' ILE . 3.3 p90 -157.03 151.93 25.9 Favored 'General case' 0 C--N 1.318 -0.761 0 N-CA-C 109.451 -0.574 . . . . 0.96 109.451 -178.692 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 551' ' ' ILE . . . . . 0.531 ' HB ' ' HB2' ' A' ' 560' ' ' PHE . 66.7 mt -141.35 123.73 14.67 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 N-CA-C 108.349 -0.982 . . . . 1.1 108.349 -177.4 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 552' ' ' LEU . . . . . 0.532 HD13 ' HA ' ' A' ' 534' ' ' GLU . 19.7 mt -107.23 119.24 38.84 Favored 'General case' 0 C--N 1.315 -0.897 0 C-N-CA 120.192 -0.603 . . . . 1.17 111.449 -177.493 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 553' ' ' MET . . . . . . . . . . . . . 22.4 mtp -109.94 79.51 1.22 Allowed 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 108.708 -0.849 . . . . 1.55 108.708 -178.09 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 554' ' ' LYS . . . . . 0.495 ' HD2' ' HB2' ' A' ' 532' ' ' CYS . 20.7 mmtp -53.98 -31.13 49.86 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 114.824 -1.08 . . . . 1.63 112.861 176.062 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 555' ' ' SER . . . . . . . . . . . . . 66.8 p -70.14 -45.34 66.99 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 120.899 0.38 . . . . 0.7 111.63 -172.797 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 556' ' ' THR . . . . . 0.451 ' O ' ' HG3' ' A' ' 558' ' ' GLN . 44.8 p -98.72 6.94 46.62 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.398 -0.365 . . . . 1.14 111.797 -174.508 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 557' ' ' ASN . . . . . . . . . . . . . 18.7 m120 59.95 39.8 19.71 Favored 'General case' 0 C--O 1.237 0.426 0 CA-C-O 121.642 0.734 . . . . 2.03 110.252 -177.828 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 558' ' ' GLN . . . . . 0.451 ' HG3' ' O ' ' A' ' 556' ' ' THR . 41.9 mt-30 -135.36 166.39 23.25 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.128 -0.942 . . . . 1.24 109.972 -176.033 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 559' ' ' ALA . . . . . . . . . . . . . . . -159.1 164.19 35.53 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.922 0.392 . . . . 1.04 111.177 174.807 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 560' ' ' PHE . . . . . 0.531 ' HB2' ' HB ' ' A' ' 551' ' ' ILE . 93.9 m-85 -120.0 148.11 43.96 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.235 -0.439 . . . . 0.46 110.619 176.277 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 561' ' ' LEU . . . . . 0.46 ' O ' ' HB ' ' A' ' 522' ' ' VAL . 50.2 tp -136.9 118.99 15.41 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.769 -0.65 . . . . 1.06 110.047 -178.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 562' ' ' GLU . . . . . 0.413 ' CB ' ' HB2' ' A' ' 549' ' ' ASN . 0.2 OUTLIER -100.93 135.9 41.65 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.234 0.54 . . . . 2.09 109.99 177.586 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 563' ' ' MET . . . . . 0.665 ' SD ' ' HA ' ' A' ' 569' ' ' ALA . 34.0 mtt -124.15 142.37 51.28 Favored 'General case' 0 C--N 1.315 -0.913 0 CA-C-N 115.154 -0.93 . . . . 1.06 108.789 -172.947 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 564' ' ' ALA . . . . . . . . . . . . . . . -59.88 -26.86 66.21 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 112.69 0.626 . . . . 1.25 112.69 -168.683 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 565' ' ' TYR . . . . . . . . . . . . . 89.5 m-85 -141.2 155.7 46.02 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.208 0.528 . . . . 1.39 110.99 179.297 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 566' ' ' THR . . . . . . . . . . . . . 14.7 t -64.82 -26.89 68.53 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.278 -0.873 . . . . 1.24 110.699 -179.207 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 567' ' ' GLU . . . . . 0.416 ' HA ' ' OE1' ' A' ' 570' ' ' GLN . 6.4 pt-20 -57.91 -33.29 68.61 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-N 115.934 -0.575 . . . . 0.89 111.005 177.018 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 568' ' ' ALA . . . . . 0.655 ' O ' ' HG3' ' A' ' 572' ' ' MET . . . -73.78 -43.6 58.45 Favored 'General case' 0 N--CA 1.449 -0.495 0 CA-C-N 115.963 -0.562 . . . . 1.08 110.301 -177.669 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 569' ' ' ALA . . . . . 0.665 ' HA ' ' SD ' ' A' ' 563' ' ' MET . . . -62.02 -45.2 94.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.88 -0.6 . . . . 1.0 111.25 -175.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 570' ' ' GLN . . . . . 0.416 ' OE1' ' HA ' ' A' ' 567' ' ' GLU . 4.9 pt20 -67.54 -38.78 84.69 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.265 -0.425 . . . . 1.72 110.835 -178.261 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 571' ' ' ALA . . . . . . . . . . . . . . . -64.64 -44.25 91.06 Favored 'General case' 0 N--CA 1.453 -0.296 0 CA-C-N 116.275 -0.42 . . . . 1.08 111.185 -177.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 572' ' ' MET . . . . . 0.655 ' HG3' ' O ' ' A' ' 568' ' ' ALA . 26.1 mtt -68.44 -43.77 76.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.233 -0.439 . . . . 1.05 110.617 -178.24 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 573' ' ' VAL . . . . . 0.679 ' O ' ' HG2' ' A' ' 577' ' ' GLN . 71.6 t -58.68 -46.76 90.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 N-CA-C 110.049 -0.352 . . . . 1.08 110.049 178.629 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 574' ' ' GLN . . . . . . . . . . . . . 99.2 mt-30 -60.97 -37.08 81.19 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.933 0.396 . . . . 2.79 110.971 179.331 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 575' ' ' TYR . . . . . . . . . . . . . 78.3 t80 -69.45 -53.83 17.33 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.205 -0.452 . . . . 1.09 111.167 -178.485 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 576' ' ' TYR . . . . . 0.445 ' HD2' ' O ' ' A' ' 572' ' ' MET . 97.0 m-85 -76.68 -13.29 60.06 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 113.089 0.774 . . . . 1.03 113.089 -173.661 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 577' ' ' GLN . . . . . 0.679 ' HG2' ' O ' ' A' ' 573' ' ' VAL . 82.1 mm-40 -68.28 -42.03 80.13 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 109.275 -0.639 . . . . 2.14 109.275 171.821 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 578' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -88.17 -38.49 15.29 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.893 -0.594 . . . . 2.14 111.467 178.508 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 579' ' ' LYS . . . . . . . . . . . . . 62.9 mttp -130.74 84.39 58.79 Favored Pre-proline 0 C--N 1.327 -0.397 0 CA-C-O 120.7 0.286 . . . . 2.95 110.779 179.525 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 580' ' ' PRO . . . . . . . . . . . . . 48.2 Cg_endo -69.67 161.37 46.16 Favored 'Trans proline' 0 C--O 1.233 0.234 0 C-N-CA 122.845 2.363 . . . . 0.51 112.113 179.232 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 581' ' ' ALA . . . . . . . . . . . . . . . -92.32 140.33 29.71 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.278 -0.419 . . . . 1.09 109.959 -178.251 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 582' ' ' ILE . . . . . . . . . . . . . 45.1 mt -100.14 124.41 53.59 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.769 0 CA-C-O 120.862 0.363 . . . . 1.19 111.762 -175.15 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 583' ' ' ILE . . . . . . . . . . . . . 33.2 mm -132.14 115.38 26.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 115.841 -0.618 . . . . 1.21 109.368 173.456 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 584' ' ' ASN . . . . . . . . . . . . . 83.1 m-20 56.8 33.35 22.89 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-O 121.093 0.473 . . . . 1.34 110.764 -178.294 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 585' ' ' GLY . . . . . . . . . . . . . . . 83.39 5.54 88.57 Favored Glycine 0 N--CA 1.447 -0.63 0 CA-C-N 115.761 -0.654 . . . . 0.51 113.258 176.827 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 586' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -110.68 127.92 55.49 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 117.025 0.413 . . . . 1.79 110.895 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 587' ' ' LYS . . . . . . . . . . . . . 32.2 mmtp -72.73 123.25 22.92 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.509 -0.768 . . . . 2.25 111.236 179.19 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 588' ' ' LEU . . . . . 0.42 HD11 HD11 ' A' ' 540' ' ' LEU . 47.3 mt -81.6 134.3 35.48 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 120.885 0.374 . . . . 1.03 110.598 178.907 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 589' ' ' LEU . . . . . 0.533 ' HB3' ' SG ' ' A' ' 525' ' ' CYS . 46.4 tp -112.85 113.46 25.55 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.869 -0.605 . . . . 1.13 110.896 -176.667 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 590' ' ' ILE . . . . . 0.432 HD13 ' CD2' ' A' ' 576' ' ' TYR . 17.2 mt -100.76 127.45 53.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.504 -0.316 . . . . 1.08 110.302 177.483 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 591' ' ' ARG . . . . . . . . . . . . . 18.5 mtp180 -147.36 162.61 38.62 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-N 116.407 -0.36 . . . . 3.18 110.595 -177.356 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 592' ' ' MET . . . . . . . . . . . . . 63.9 mtt -83.84 133.34 34.75 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 109.871 -0.418 . . . . 1.13 109.871 176.733 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 593' ' ' SER . . . . . 0.442 ' OG ' ' HB2' ' A' ' 523' ' ' HIS . 69.7 m -77.29 135.31 38.41 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.726 0.774 . . . . 1.65 112.366 -175.141 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 594' ' ' THR . . . . . . . . . . . . . 17.5 p -89.52 -15.89 31.95 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 114.707 -1.133 . . . . 1.14 111.624 -179.591 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 595' ' ' ARG . . . . . . . . . . . . . 60.7 mtp180 -101.65 -28.33 12.56 Favored 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 112.867 0.691 . . . . 3.37 112.867 -170.524 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 596' ' ' TYR . . . . . . . . . . . . . 71.3 m-85 -126.19 141.99 51.7 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.254 0.55 . . . . 1.15 112.225 -175.652 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 597' ' ' LYS . . . . . 0.456 ' N ' ' HD2' ' A' ' 597' ' ' LYS . 0.5 OUTLIER -110.02 -6.35 15.18 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 114.913 -1.04 . . . . 2.63 111.489 177.69 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 598' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -142.0 151.38 42.43 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.033 0.444 . . . . 0.95 110.996 -176.334 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 599' ' ' LEU . . . . . 0.469 HD21 HG11 ' A' ' 521' ' ' VAL . 54.0 mt -123.65 121.19 34.91 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.368 -0.833 . . . . 1.18 110.159 177.642 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 600' ' ' GLN . . . . . . . . . . . . . 26.9 tt0 -111.87 123.94 51.32 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 116.12 -0.491 . . . . 1.65 109.877 177.719 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 601' ' ' LEU . . . . . . . . . . . . . 48.2 mt -75.9 90.06 2.94 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.973 0.416 . . . . 1.23 110.824 -179.685 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 602' ' ' LYS . . . . . . . . . . . . . 93.9 mttt -73.77 -13.76 61.0 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.866 -0.606 . . . . 2.22 110.538 178.36 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 603' ' ' LYS . . . . . . . . . . . . . 34.7 mmtp . . . . . 0 C--N 1.325 -0.491 0 CA-C-N 115.862 -0.608 . . . . 2.26 109.82 -179.64 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 607' ' ' ASN . . . . . . . . . . . . . 25.5 t-20 . . . . . 0 C--O 1.233 0.231 0 CA-C-O 121.166 0.508 . . . . 1.8 111.007 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 608' ' ' VAL . . . . . 0.517 HG12 HG22 ' A' ' 538' ' ' ILE . 73.6 t -91.46 -23.67 5.77 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 CA-C-N 115.591 -0.731 . . . . 1.07 111.302 -175.084 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 609' ' ' ALA . . . . . . . . . . . . . . . -60.46 -33.2 72.22 Favored 'General case' 0 C--O 1.237 0.414 0 CA-C-O 121.411 0.624 . . . . 1.27 110.99 176.463 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 610' ' ' ALA . . . . . . . . . . . . . . . -63.31 -28.58 70.11 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.813 -0.63 . . . . 1.14 110.35 176.377 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 611' ' ' ILE . . . . . 0.4 ' O ' HG13 ' A' ' 615' ' ' ILE . 76.7 mt -71.67 -29.33 33.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 115.773 -0.648 . . . . 1.03 109.711 178.289 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 612' ' ' ILE . . . . . 0.498 ' CG1' HD13 ' A' ' 542' ' ' LEU . 65.0 mt -60.44 -43.53 94.31 Favored 'Isoleucine or valine' 0 C--O 1.233 0.236 0 N-CA-C 109.561 -0.533 . . . . 1.11 109.561 172.218 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 613' ' ' GLN . . . . . . . . . . . . . 26.1 mm-40 -64.38 -32.25 73.79 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.455 -0.793 . . . . 3.02 109.854 177.207 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 614' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -66.09 -43.75 86.42 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.062 -0.972 . . . . 1.95 110.445 178.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 615' ' ' ILE . . . . . 0.52 ' CD1' ' HB2' ' A' ' 542' ' ' LEU . 85.3 mt -62.69 -47.7 91.64 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 115.981 -0.554 . . . . 1.08 110.736 177.382 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 616' ' ' HIS . . . . . . . . . . . . . 61.8 m170 -64.74 -35.41 80.98 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.448 -0.796 . . . . 1.73 111.226 -178.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 617' ' ' SER . . . . . . . . . . . . . 33.8 t . . . . . 0 C--N 1.325 -0.458 0 CA-C-O 120.729 0.3 . . . . 1.77 111.16 179.446 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 520' ' ' ARG . . . . . 0.726 ' NH1' ' HA ' ' A' ' 566' ' ' THR . 6.0 mtm105 . . . . . 0 N--CA 1.45 -0.467 0 CA-C-O 121.019 0.437 . . . . 2.86 111.175 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 521' ' ' VAL . . . . . 0.458 HG13 HD21 ' A' ' 599' ' ' LEU . 84.8 t -117.11 124.07 72.57 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 CA-C-N 115.67 -0.695 . . . . 1.14 110.9 169.349 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 522' ' ' VAL . . . . . 0.584 ' HB ' ' O ' ' A' ' 561' ' ' LEU . 25.2 t -120.2 121.62 66.22 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 N-CA-C 108.142 -1.058 . . . . 1.05 108.142 173.668 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 523' ' ' HIS . . . . . 0.453 ' HB2' ' OG ' ' A' ' 593' ' ' SER . 47.5 t-80 -105.68 132.59 51.63 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 121.258 0.551 . . . . 0.57 110.842 -173.527 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 524' ' ' ILE . . . . . 0.406 HG12 HG12 ' A' ' 590' ' ' ILE . 29.3 mt -111.11 141.4 26.59 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.931 0 N-CA-C 107.984 -1.117 . . . . 1.06 107.984 176.149 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 525' ' ' CYS . . . . . 0.491 ' SG ' ' HB3' ' A' ' 589' ' ' LEU . 3.2 p -144.53 166.32 25.47 Favored 'General case' 0 C--N 1.309 -1.163 0 C-N-CA 120.226 -0.59 . . . . 1.75 111.787 -176.47 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 526' ' ' ASN . . . . . 0.476 ' HB2' ' O ' ' A' ' 525' ' ' CYS . 92.9 m-20 83.47 31.14 0.07 Allowed 'General case' 0 N--CA 1.465 0.315 0 O-C-N 124.827 1.329 . . . . 0.28 110.335 177.603 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 527' ' ' LEU . . . . . 0.415 ' HA ' ' HD3' ' A' ' 528' ' ' PRO . 80.0 mt -85.43 133.87 41.42 Favored Pre-proline 0 C--N 1.325 -0.481 0 CA-C-N 115.281 -0.872 . . . . 1.04 108.697 175.888 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 528' ' ' PRO . . . . . 0.439 ' HB2' ' HB2' ' A' ' 531' ' ' SER . 6.1 Cg_exo -73.84 134.38 19.83 Favored 'Trans proline' 0 N--CA 1.456 -0.732 0 C-N-CA 121.266 1.311 . . . . 0.5 111.489 -178.636 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 529' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -65.13 135.54 55.63 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.89 -0.596 . . . . 1.6 109.735 178.817 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 530' ' ' GLY . . . . . . . . . . . . . . . 82.27 3.04 90.69 Favored Glycine 0 N--CA 1.448 -0.509 0 C-N-CA 120.443 -0.885 . . . . 0.52 111.795 -173.477 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 531' ' ' SER . . . . . 0.439 ' HB2' ' HB2' ' A' ' 528' ' ' PRO . 48.8 m -142.28 15.08 2.03 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.165 0.507 . . . . 1.49 110.095 -176.161 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 532' ' ' CYS . . . . . . . . . . . . . 57.5 m -92.45 90.65 7.28 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 108.94 -0.763 . . . . 0.25 108.94 179.131 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 533' ' ' THR . . . . . 0.583 ' O ' HG23 ' A' ' 537' ' ' VAL . 29.8 p -98.41 149.13 22.99 Favored 'General case' 0 N--CA 1.445 -0.698 0 N-CA-C 108.765 -0.828 . . . . 1.1 108.765 -179.919 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 534' ' ' GLU . . . . . 0.502 ' N ' HD12 ' A' ' 552' ' ' LEU . 41.3 mt-10 -67.75 -34.54 77.03 Favored 'General case' 0 C--N 1.317 -0.805 0 N-CA-C 109.048 -0.723 . . . . 1.64 109.048 176.537 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 535' ' ' ASN . . . . . . . . . . . . . 10.7 t30 -62.87 -49.07 76.3 Favored 'General case' 0 N--CA 1.446 -0.652 0 CA-C-N 114.293 -1.321 . . . . 1.86 111.6 -175.524 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 536' ' ' ASP . . . . . . . . . . . . . 17.5 m-20 -70.19 -41.93 73.06 Favored 'General case' 0 N--CA 1.472 0.648 0 CA-C-N 118.338 0.517 . . . . 0.61 111.16 -175.794 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 537' ' ' VAL . . . . . 0.583 HG23 ' O ' ' A' ' 533' ' ' THR . 44.0 t -60.06 -47.95 89.84 Favored 'Isoleucine or valine' 0 C--O 1.242 0.695 0 CA-C-N 115.205 -0.907 . . . . 1.03 109.809 179.898 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 538' ' ' ILE . . . . . 0.656 HD12 ' CG ' ' A' ' 550' ' ' TYR . 54.1 mt -68.54 -34.34 64.85 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 CA-C-N 115.503 -0.771 . . . . 1.06 111.565 176.336 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 539' ' ' ASN . . . . . 0.475 ' HA ' HD11 ' A' ' 615' ' ' ILE . 10.8 m120 -58.61 -26.39 63.64 Favored 'General case' 0 N--CA 1.467 0.4 0 O-C-N 122.203 -0.31 . . . . 0.25 110.473 177.515 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 540' ' ' LEU . . . . . 0.461 HD11 HD11 ' A' ' 588' ' ' LEU . 93.4 mt -75.62 -41.16 55.09 Favored 'General case' 0 C--N 1.323 -0.572 0 C-N-CA 120.781 -0.367 . . . . 1.11 110.276 173.4 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 541' ' ' GLY . . . . . 0.427 ' CA ' HD23 ' A' ' 561' ' ' LEU . . . -64.87 -52.72 39.5 Favored Glycine 0 CA--C 1.524 0.627 0 N-CA-C 115.589 0.996 . . . . 0.19 115.589 179.657 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 542' ' ' LEU . . . . . 0.529 ' HB2' ' CD1' ' A' ' 615' ' ' ILE . 61.0 mt -58.14 -44.37 99.2 Favored Pre-proline 0 C--N 1.32 -0.677 0 N-CA-C 115.099 1.518 . . . . 1.06 115.099 -167.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 543' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -58.88 -26.68 81.82 Favored 'Trans proline' 0 C--N 1.347 0.486 0 C-N-CA 122.119 1.88 . . . . 0.25 113.492 -179.07 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 544' ' ' PHE . . . . . 0.444 ' HB2' ' HE3' ' A' ' 572' ' ' MET . 97.8 m-85 -101.25 -12.01 19.04 Favored 'General case' 0 C--N 1.331 -0.227 0 O-C-N 122.193 -0.317 . . . . 0.38 111.412 178.661 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 545' ' ' GLY . . . . . 0.503 ' O ' ' HA ' ' A' ' 542' ' ' LEU . . . 174.81 151.7 8.65 Favored Glycine 0 N--CA 1.449 -0.497 0 C-N-CA 120.706 -0.759 . . . . 0.44 112.182 -179.678 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 546' ' ' LYS . . . . . . . . . . . . . 63.1 tttm -66.53 127.44 32.35 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.037 0.446 . . . . 2.62 110.747 -178.416 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 547' ' ' VAL . . . . . 0.539 ' HB ' HG11 ' A' ' 608' ' ' VAL . 70.2 t -87.85 115.82 28.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 115.443 -0.799 . . . . 1.05 110.222 -179.942 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 548' ' ' THR . . . . . . . . . . . . . 22.8 p -97.67 -33.84 11.16 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-N 115.856 -0.611 . . . . 1.11 111.698 -179.645 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 549' ' ' ASN . . . . . 0.432 ' HB2' ' HB2' ' A' ' 562' ' ' GLU . 12.7 m120 -142.83 149.33 38.45 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 109.966 -0.383 . . . . 1.49 109.966 -178.5 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 550' ' ' TYR . . . . . 0.656 ' CG ' HD12 ' A' ' 538' ' ' ILE . 4.7 p90 -156.37 150.77 25.56 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 116.202 -0.454 . . . . 0.96 109.89 -179.729 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 551' ' ' ILE . . . . . 0.494 ' HB ' ' HB2' ' A' ' 560' ' ' PHE . 69.1 mt -144.74 124.31 6.86 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 N-CA-C 107.922 -1.14 . . . . 1.1 107.922 -175.454 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 552' ' ' LEU . . . . . 0.502 HD12 ' N ' ' A' ' 534' ' ' GLU . 28.9 mt -106.35 117.39 33.92 Favored 'General case' 0 C--N 1.312 -1.038 0 C-N-CA 119.556 -0.858 . . . . 1.17 110.264 -179.758 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 553' ' ' MET . . . . . . . . . . . . . 35.5 mtp -98.15 80.78 2.72 Favored 'General case' 0 C--N 1.317 -0.841 0 N-CA-C 108.353 -0.98 . . . . 1.55 108.353 -176.868 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 554' ' ' LYS . . . . . . . . . . . . . 19.8 mmtm -54.17 -29.14 44.5 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 114.785 -1.098 . . . . 1.63 112.793 177.886 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 555' ' ' SER . . . . . . . . . . . . . 67.1 p -69.58 -45.3 68.98 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 111.746 0.276 . . . . 0.7 111.746 -174.008 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 556' ' ' THR . . . . . . . . . . . . . 44.5 p -102.12 8.32 40.78 Favored 'General case' 0 C--O 1.236 0.342 0 N-CA-C 113.052 0.76 . . . . 1.14 113.052 -173.554 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 557' ' ' ASN . . . . . . . . . . . . . 43.5 m-80 60.29 41.24 16.75 Favored 'General case' 0 N--CA 1.473 0.701 0 CA-C-O 121.787 0.804 . . . . 2.03 110.158 -176.427 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 558' ' ' GLN . . . . . . . . . . . . . 77.3 mt-30 -136.62 168.44 19.5 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 114.994 -1.003 . . . . 1.24 109.855 -174.86 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 559' ' ' ALA . . . . . . . . . . . . . . . -159.2 166.03 32.31 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.989 0.424 . . . . 1.04 111.491 177.175 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 560' ' ' PHE . . . . . 0.494 ' HB2' ' HB ' ' A' ' 551' ' ' ILE . 86.1 m-85 -120.68 146.66 46.2 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 116.102 -0.499 . . . . 0.46 110.774 176.262 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 561' ' ' LEU . . . . . 0.584 ' O ' ' HB ' ' A' ' 522' ' ' VAL . 46.1 tp -138.49 118.13 13.06 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.896 -0.593 . . . . 1.06 110.351 -179.905 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 562' ' ' GLU . . . . . 0.432 ' HB2' ' HB2' ' A' ' 549' ' ' ASN . 0.0 OUTLIER -105.02 137.63 42.47 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.389 0.614 . . . . 2.09 110.43 178.099 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 563' ' ' MET . . . . . 0.685 ' HE2' ' SD ' ' A' ' 572' ' ' MET . 2.7 mtt -124.45 151.29 44.71 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 115.077 -0.965 . . . . 1.06 109.309 -171.382 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 564' ' ' ALA . . . . . . . . . . . . . . . -71.2 -17.46 62.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.803 0.335 . . . . 1.25 111.622 -169.194 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 565' ' ' TYR . . . . . . . . . . . . . 84.0 m-85 -138.73 144.16 39.37 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 109.399 -0.593 . . . . 1.39 109.399 178.923 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 566' ' ' THR . . . . . 0.726 ' HA ' ' NH1' ' A' ' 520' ' ' ARG . 5.0 t -67.69 -27.69 67.04 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.243 -0.435 . . . . 1.24 110.392 -178.488 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 567' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -56.31 -31.29 63.54 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-N 115.363 -0.835 . . . . 0.89 110.99 175.524 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 568' ' ' ALA . . . . . 0.707 ' O ' ' HG3' ' A' ' 572' ' ' MET . . . -68.79 -42.21 77.69 Favored 'General case' 0 N--CA 1.449 -0.484 0 CA-C-N 116.07 -0.514 . . . . 1.08 110.245 -176.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 569' ' ' ALA . . . . . 0.516 ' CB ' HH12 ' A' ' 520' ' ' ARG . . . -66.1 -45.13 82.27 Favored 'General case' 0 CA--C 1.514 -0.429 0 CA-C-N 116.302 -0.408 . . . . 1.0 111.521 -176.165 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 570' ' ' GLN . . . . . . . . . . . . . 12.9 pt20 -68.04 -35.78 78.82 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.397 -0.365 . . . . 1.72 110.346 -178.699 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 571' ' ' ALA . . . . . . . . . . . . . . . -63.48 -43.64 96.69 Favored 'General case' 0 N--CA 1.453 -0.293 0 CA-C-N 116.395 -0.366 . . . . 1.08 110.502 176.013 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 572' ' ' MET . . . . . 0.707 ' HG3' ' O ' ' A' ' 568' ' ' ALA . 31.1 mtt -66.61 -44.46 82.02 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.433 -0.349 . . . . 1.05 110.504 178.126 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 573' ' ' VAL . . . . . 0.512 HG22 ' O ' ' A' ' 569' ' ' ALA . 76.2 t -59.14 -47.2 90.94 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.299 0 C-N-CA 121.208 -0.197 . . . . 1.08 110.481 179.58 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 574' ' ' GLN . . . . . . . . . . . . . 79.8 mm-40 -61.27 -38.99 88.72 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.969 0.414 . . . . 2.79 110.618 178.017 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 575' ' ' TYR . . . . . . . . . . . . . 86.9 t80 -69.66 -53.9 16.48 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.91 -0.586 . . . . 1.09 111.276 -178.329 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 576' ' ' TYR . . . . . 0.549 ' HA ' ' O ' ' A' ' 579' ' ' LYS . 82.2 m-85 -76.41 -13.66 60.11 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 112.755 0.65 . . . . 1.03 112.755 -174.586 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 577' ' ' GLN . . . . . 0.466 ' HA ' ' OE1' ' A' ' 577' ' ' GLN . 13.2 mm-40 -77.09 -41.65 41.31 Favored 'General case' 0 C--N 1.325 -0.47 0 C-N-CA 120.318 -0.553 . . . . 2.14 110.322 170.708 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 578' ' ' GLU . . . . . . . . . . . . . 28.5 mm-40 -77.39 -37.54 51.81 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.019 0.438 . . . . 2.14 110.283 177.265 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 579' ' ' LYS . . . . . 0.549 ' O ' ' HA ' ' A' ' 576' ' ' TYR . 57.9 mtpt -138.4 96.05 10.01 Favored Pre-proline 0 C--N 1.326 -0.439 0 CA-C-N 116.042 -0.526 . . . . 2.95 110.058 177.769 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 580' ' ' PRO . . . . . . . . . . . . . 38.3 Cg_endo -66.72 159.6 50.42 Favored 'Trans proline' 0 C--O 1.234 0.293 0 C-N-CA 122.069 1.846 . . . . 0.51 111.76 179.206 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 581' ' ' ALA . . . . . 0.413 ' HB3' ' CE1' ' A' ' 576' ' ' TYR . . . -92.02 137.05 32.68 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.367 -0.379 . . . . 1.09 110.115 -177.306 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 582' ' ' ILE . . . . . . . . . . . . . 25.8 mt -100.61 118.5 47.39 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.679 0 CA-C-O 120.922 0.391 . . . . 1.19 111.148 -175.778 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 583' ' ' ILE . . . . . . . . . . . . . 32.0 mm -127.51 113.82 33.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 N-CA-C 109.5 -0.555 . . . . 1.21 109.5 173.321 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 584' ' ' ASN . . . . . 0.473 HD21 ' N ' ' A' ' 584' ' ' ASN . 0.8 OUTLIER 59.65 33.67 22.01 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-O 121.53 0.681 . . . . 1.34 109.991 -177.622 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 585' ' ' GLY . . . . . . . . . . . . . . . 81.28 3.01 90.74 Favored Glycine 0 N--CA 1.445 -0.703 0 CA-C-N 115.223 -0.899 . . . . 0.51 112.955 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 586' ' ' GLU . . . . . . . . . . . . . 10.4 mm-40 -100.54 126.34 46.97 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.123 0.487 . . . . 1.79 111.105 -178.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 587' ' ' LYS . . . . . . . . . . . . . 34.0 mmtp -76.82 118.54 19.53 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.111 -0.95 . . . . 2.25 110.82 177.147 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 588' ' ' LEU . . . . . 0.461 HD11 HD11 ' A' ' 540' ' ' LEU . 36.3 mt -86.31 141.12 29.47 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.1 -0.5 . . . . 1.03 111.241 -177.666 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 589' ' ' LEU . . . . . 0.491 ' HB3' ' SG ' ' A' ' 525' ' ' CYS . 58.8 tp -113.6 112.56 23.72 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.796 -0.638 . . . . 1.13 110.803 179.471 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 590' ' ' ILE . . . . . 0.456 HD11 ' CD2' ' A' ' 576' ' ' TYR . 25.4 mt -102.94 121.38 54.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 N-CA-C 110.083 -0.339 . . . . 1.08 110.083 176.254 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 591' ' ' ARG . . . . . . . . . . . . . 15.2 mtp180 -147.19 166.03 28.24 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-N 116.52 -0.309 . . . . 3.18 110.505 -176.743 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 592' ' ' MET . . . . . . . . . . . . . 63.3 mtt -82.71 142.8 31.37 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 110.098 -0.334 . . . . 1.13 110.098 178.731 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 593' ' ' SER . . . . . 0.453 ' OG ' ' HB2' ' A' ' 523' ' ' HIS . 74.1 m -85.84 139.23 31.45 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.618 0.723 . . . . 1.65 112.243 -177.326 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 594' ' ' THR . . . . . . . . . . . . . 18.5 p -90.89 -16.42 28.19 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 114.453 -1.249 . . . . 1.14 112.483 -178.296 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 595' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -101.63 -29.82 11.71 Favored 'General case' 0 N--CA 1.466 0.344 0 N-CA-C 112.497 0.554 . . . . 3.37 112.497 -169.677 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 596' ' ' TYR . . . . . . . . . . . . . 84.4 m-85 -119.82 150.82 39.81 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.047 0.451 . . . . 1.15 111.546 -174.652 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 597' ' ' LYS . . . . . 0.465 ' N ' ' HD2' ' A' ' 597' ' ' LYS . 0.4 OUTLIER -108.14 -18.86 13.67 Favored 'General case' 0 C--O 1.22 -0.47 0 CA-C-N 115.553 -0.749 . . . . 2.63 111.557 -178.536 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 598' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -143.2 150.09 38.88 Favored 'General case' 0 C--N 1.326 -0.439 0 C-N-CA 120.375 -0.53 . . . . 0.95 111.171 -178.516 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 599' ' ' LEU . . . . . 0.458 HD21 HG13 ' A' ' 521' ' ' VAL . 38.9 mt -101.26 121.21 41.46 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.64 -0.709 . . . . 1.18 110.417 175.722 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 600' ' ' GLN . . . . . . . . . . . . . 51.5 tp60 -108.92 120.56 42.88 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 115.491 -0.777 . . . . 1.65 110.653 -178.668 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 601' ' ' LEU . . . . . . . . . . . . . 57.4 mt -80.17 91.66 5.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.155 0.502 . . . . 1.23 110.284 177.887 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 602' ' ' LYS . . . . . . . . . . . . . 54.7 mtpt -88.79 -11.55 44.59 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.627 -0.715 . . . . 2.22 110.246 179.84 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 603' ' ' LYS . . . . . . . . . . . . . 75.3 mmtt . . . . . 0 C--N 1.322 -0.616 0 CA-C-N 115.783 -0.644 . . . . 2.26 109.557 178.082 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 607' ' ' ASN . . . . . . . . . . . . . 36.0 t30 . . . . . 0 C--O 1.233 0.218 0 CA-C-O 121.198 0.523 . . . . 1.8 111.588 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 608' ' ' VAL . . . . . 0.539 HG11 ' HB ' ' A' ' 547' ' ' VAL . 64.8 t -86.83 -24.28 6.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 115.572 -0.74 . . . . 1.07 111.215 -177.347 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 609' ' ' ALA . . . . . . . . . . . . . . . -61.26 -34.73 75.64 Favored 'General case' 0 C--O 1.238 0.498 0 CA-C-O 121.505 0.669 . . . . 1.27 110.677 177.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 610' ' ' ALA . . . . . . . . . . . . . . . -61.02 -32.3 71.9 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.43 -0.805 . . . . 1.14 110.187 175.571 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 611' ' ' ILE . . . . . 0.492 ' O ' HG13 ' A' ' 615' ' ' ILE . 71.0 mt -70.62 -32.04 48.2 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-N 115.627 -0.715 . . . . 1.03 109.807 -178.033 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 612' ' ' ILE . . . . . 0.448 HG12 HD21 ' A' ' 542' ' ' LEU . 44.3 mt -60.84 -44.3 97.35 Favored 'Isoleucine or valine' 0 C--O 1.234 0.263 0 CA-C-O 121.221 0.534 . . . . 1.11 109.618 175.138 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 613' ' ' GLN . . . . . . . . . . . . . 74.3 mt-30 -64.76 -36.93 85.89 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.371 -0.832 . . . . 3.02 110.178 178.543 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 614' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -65.17 -39.0 92.33 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.187 -0.915 . . . . 1.95 111.291 178.717 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 615' ' ' ILE . . . . . 0.529 ' CD1' ' HB2' ' A' ' 542' ' ' LEU . 85.2 mt -63.3 -49.06 84.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.747 0.308 . . . . 1.08 110.939 178.239 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 616' ' ' HIS . . . . . . . . . . . . . 92.4 m-70 -67.31 -27.18 66.95 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.345 -0.389 . . . . 1.73 110.879 -178.267 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 617' ' ' SER . . . . . . . . . . . . . 28.8 t . . . . . 0 C--N 1.325 -0.49 0 CA-C-N 116.089 -0.505 . . . . 1.77 111.161 177.82 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 520' ' ' ARG . . . . . . . . . . . . . 11.9 mtm-85 . . . . . 0 N--CA 1.452 -0.347 0 CA-C-O 121.16 0.505 . . . . 2.86 110.842 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 521' ' ' VAL . . . . . 0.493 HG13 HD21 ' A' ' 599' ' ' LEU . 71.3 t -118.99 122.72 70.03 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.791 0 CA-C-N 115.513 -0.767 . . . . 1.14 110.67 168.407 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 522' ' ' VAL . . . . . 0.489 ' HB ' ' O ' ' A' ' 561' ' ' LEU . 23.0 t -120.27 122.28 67.89 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.837 0 N-CA-C 107.71 -1.219 . . . . 1.05 107.71 175.359 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 523' ' ' HIS . . . . . . . . . . . . . 58.4 t-80 -105.06 131.59 52.38 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-O 121.069 0.461 . . . . 0.57 110.383 -172.7 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 524' ' ' ILE . . . . . 0.402 HG12 HG12 ' A' ' 590' ' ' ILE . 31.2 mt -111.04 136.57 46.69 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.906 0 N-CA-C 108.709 -0.849 . . . . 1.06 108.709 178.541 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 525' ' ' CYS . . . . . 0.491 ' O ' ' HB2' ' A' ' 526' ' ' ASN . 0.8 OUTLIER -142.63 164.42 30.17 Favored 'General case' 0 C--N 1.311 -1.077 0 C-N-CA 120.747 -0.381 . . . . 1.75 111.518 -176.442 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 526' ' ' ASN . . . . . 0.491 ' HB2' ' O ' ' A' ' 525' ' ' CYS . 93.6 m-20 84.69 23.58 0.1 Allowed 'General case' 0 N--CA 1.472 0.632 0 O-C-N 124.75 1.281 . . . . 0.28 110.194 178.941 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 527' ' ' LEU . . . . . 0.458 ' HB3' ' SG ' ' A' ' 532' ' ' CYS . 87.1 mt -81.52 123.36 80.99 Favored Pre-proline 0 C--N 1.325 -0.48 0 N-CA-C 108.061 -1.088 . . . . 1.04 108.061 177.31 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 528' ' ' PRO . . . . . . . . . . . . . 12.8 Cg_exo -70.41 132.78 22.96 Favored 'Trans proline' 0 N--CA 1.459 -0.519 0 C-N-CA 121.069 1.18 . . . . 0.5 111.729 -177.905 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 529' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -65.39 130.12 42.18 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 109.168 -0.679 . . . . 1.6 109.168 177.154 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 530' ' ' GLY . . . . . . . . . . . . . . . 96.12 3.6 60.28 Favored Glycine 0 N--CA 1.444 -0.781 0 C-N-CA 120.202 -0.999 . . . . 0.52 111.145 -173.507 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 531' ' ' SER . . . . . . . . . . . . . 23.1 t -148.54 10.98 0.86 Allowed 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.363 0.601 . . . . 1.49 109.611 -179.14 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 532' ' ' CYS . . . . . 0.479 ' HB2' ' HD2' ' A' ' 554' ' ' LYS . 85.4 m -92.15 87.94 6.31 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 109.168 -0.679 . . . . 0.25 109.168 -179.6 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 533' ' ' THR . . . . . 0.473 ' O ' HG22 ' A' ' 537' ' ' VAL . 28.0 p -104.21 153.31 21.12 Favored 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 109.05 -0.722 . . . . 1.1 109.05 -179.657 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 534' ' ' GLU . . . . . 0.537 ' HA ' HD12 ' A' ' 552' ' ' LEU . 54.9 mt-10 -64.39 -33.1 75.09 Favored 'General case' 0 C--N 1.319 -0.736 0 N-CA-C 109.263 -0.643 . . . . 1.64 109.263 177.155 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 535' ' ' ASN . . . . . . . . . . . . . 4.9 m-20 -61.78 -49.31 76.9 Favored 'General case' 0 C--O 1.213 -0.852 0 CA-C-N 115.188 -0.914 . . . . 1.86 111.394 178.714 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 536' ' ' ASP . . . . . . . . . . . . . 61.4 m-20 -69.03 -46.1 68.78 Favored 'General case' 0 N--CA 1.475 0.783 0 CA-C-O 121.478 0.656 . . . . 0.61 110.991 -172.037 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 537' ' ' VAL . . . . . 0.473 HG22 ' O ' ' A' ' 533' ' ' THR . 36.3 t -59.86 -48.1 89.0 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 CA-C-N 114.802 -1.09 . . . . 1.03 109.999 -178.318 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 538' ' ' ILE . . . . . 0.517 HD11 ' CG ' ' A' ' 550' ' ' TYR . 54.7 mt -69.04 -33.79 60.58 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.66 0 CA-C-N 115.5 -0.773 . . . . 1.06 111.853 176.817 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 539' ' ' ASN . . . . . . . . . . . . . 10.5 m120 -57.96 -27.46 63.44 Favored 'General case' 0 CA--C 1.514 -0.407 0 N-CA-C 109.944 -0.391 . . . . 0.25 109.944 176.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 540' ' ' LEU . . . . . . . . . . . . . 90.8 mt -75.64 -41.12 54.99 Favored 'General case' 0 N--CA 1.444 -0.74 0 C-N-CA 120.859 -0.336 . . . . 1.11 110.135 174.474 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 541' ' ' GLY . . . . . 0.535 ' HA2' ' SD ' ' A' ' 572' ' ' MET . . . -68.37 -52.55 25.96 Favored Glycine 0 CA--C 1.525 0.667 0 N-CA-C 115.553 0.981 . . . . 0.19 115.553 -179.063 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 542' ' ' LEU . . . . . 0.46 HD23 ' H ' ' A' ' 547' ' ' VAL . 36.4 mt -55.64 -47.36 98.85 Favored Pre-proline 0 C--N 1.321 -0.633 0 N-CA-C 114.836 1.421 . . . . 1.06 114.836 -168.057 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 543' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_exo -58.5 -23.22 63.29 Favored 'Trans proline' 0 CA--C 1.535 0.558 0 C-N-CA 122.029 1.82 . . . . 0.25 113.726 -176.859 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 544' ' ' PHE . . . . . 0.448 ' HB2' ' HE3' ' A' ' 572' ' ' MET . 97.3 m-85 -102.15 -8.55 21.27 Favored 'General case' 0 C--O 1.234 0.267 0 O-C-N 121.867 -0.521 . . . . 0.38 111.342 178.445 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 545' ' ' GLY . . . . . 0.436 ' O ' ' HA ' ' A' ' 542' ' ' LEU . . . 169.66 152.89 8.17 Favored Glycine 0 N--CA 1.449 -0.484 0 C-N-CA 120.904 -0.665 . . . . 0.44 112.167 -178.837 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 546' ' ' LYS . . . . . . . . . . . . . 28.1 tptp -65.66 128.21 35.05 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.241 0.543 . . . . 2.62 111.235 -178.501 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 547' ' ' VAL . . . . . 0.556 ' HB ' HG11 ' A' ' 608' ' ' VAL . 70.0 t -87.69 116.83 30.48 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.684 0 CA-C-N 115.156 -0.929 . . . . 1.05 110.184 177.18 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 548' ' ' THR . . . . . . . . . . . . . 25.0 p -99.71 -34.36 10.22 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.294 -0.412 . . . . 1.11 112.031 179.015 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 549' ' ' ASN . . . . . 0.406 ' HB2' ' CB ' ' A' ' 562' ' ' GLU . 16.6 m120 -142.39 151.91 42.32 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.906 0.384 . . . . 1.49 110.202 -178.81 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 550' ' ' TYR . . . . . 0.517 ' CG ' HD11 ' A' ' 538' ' ' ILE . 3.1 p90 -160.34 151.09 18.71 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.956 -0.566 . . . . 0.96 109.773 -178.321 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 551' ' ' ILE . . . . . 0.43 ' HB ' ' HB2' ' A' ' 560' ' ' PHE . 33.1 mt -143.42 121.51 6.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 N-CA-C 108.138 -1.06 . . . . 1.1 108.138 -178.035 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 552' ' ' LEU . . . . . 0.537 HD12 ' HA ' ' A' ' 534' ' ' GLU . 21.2 mt -111.67 124.47 52.38 Favored 'General case' 0 C--N 1.32 -0.712 0 C-N-CA 119.794 -0.762 . . . . 1.17 111.617 -176.848 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 553' ' ' MET . . . . . . . . . . . . . 4.2 mpp? -112.09 83.73 1.84 Allowed 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 109.018 -0.734 . . . . 1.55 109.018 174.587 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 554' ' ' LYS . . . . . 0.479 ' HD2' ' HB2' ' A' ' 532' ' ' CYS . 4.6 mmtp -53.11 -28.41 25.37 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.393 -0.821 . . . . 1.63 112.201 175.423 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 555' ' ' SER . . . . . . . . . . . . . 71.0 p -69.32 -38.93 78.47 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 111.833 0.308 . . . . 0.7 111.833 -173.463 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 556' ' ' THR . . . . . . . . . . . . . 40.6 p -105.55 7.04 32.73 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 112.419 0.525 . . . . 1.14 112.419 -175.301 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 557' ' ' ASN . . . . . . . . . . . . . 2.6 m-20 59.16 39.12 23.32 Favored 'General case' 0 N--CA 1.468 0.447 0 CA-C-O 121.562 0.696 . . . . 2.03 110.392 -177.57 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 558' ' ' GLN . . . . . . . . . . . . . 23.7 mt-30 -137.63 154.44 49.73 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.185 -0.916 . . . . 1.24 110.056 -174.781 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 559' ' ' ALA . . . . . . . . . . . . . . . -157.27 164.83 37.25 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.3 0.572 . . . . 1.04 111.982 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 560' ' ' PHE . . . . . 0.43 ' HB2' ' HB ' ' A' ' 551' ' ' ILE . 94.6 m-85 -121.18 145.66 47.6 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.281 -0.872 . . . . 0.46 110.609 176.697 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 561' ' ' LEU . . . . . 0.489 ' O ' ' HB ' ' A' ' 522' ' ' VAL . 60.5 tp -138.76 118.93 13.5 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.19 -0.459 . . . . 1.06 110.359 179.796 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 562' ' ' GLU . . . . . 0.406 ' CB ' ' HB2' ' A' ' 549' ' ' ASN . 0.1 OUTLIER -101.99 136.01 42.57 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.261 0.553 . . . . 2.09 109.842 176.471 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 563' ' ' MET . . . . . 0.565 ' SD ' ' HA ' ' A' ' 569' ' ' ALA . 28.2 mtt -122.8 141.26 52.03 Favored 'General case' 0 C--N 1.314 -0.971 0 CA-C-N 115.302 -0.863 . . . . 1.06 108.743 -172.24 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 564' ' ' ALA . . . . . . . . . . . . . . . -66.62 -16.29 64.08 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 112.348 0.499 . . . . 1.25 112.348 -168.644 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 565' ' ' TYR . . . . . 0.463 ' CB ' ' HG2' ' A' ' 567' ' ' GLU . 93.9 m-85 -138.57 142.2 39.23 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.273 -0.421 . . . . 1.39 110.037 -179.121 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 566' ' ' THR . . . . . . . . . . . . . 13.5 t -62.55 -27.27 69.06 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.556 -0.747 . . . . 1.24 110.437 179.278 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 567' ' ' GLU . . . . . 0.498 ' HA ' HE21 ' A' ' 570' ' ' GLN . 12.1 pt-20 -55.91 -33.72 64.91 Favored 'General case' 0 C--N 1.333 -0.122 0 CA-C-N 115.628 -0.715 . . . . 0.89 110.834 175.905 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 568' ' ' ALA . . . . . 0.662 ' O ' ' HG3' ' A' ' 572' ' ' MET . . . -73.49 -41.58 62.93 Favored 'General case' 0 N--CA 1.447 -0.579 0 CA-C-N 115.866 -0.606 . . . . 1.08 110.309 -174.826 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 569' ' ' ALA . . . . . 0.565 ' HA ' ' SD ' ' A' ' 563' ' ' MET . . . -64.85 -46.54 81.44 Favored 'General case' 0 N--CA 1.451 -0.402 0 CA-C-N 116.11 -0.496 . . . . 1.0 111.244 -175.173 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 570' ' ' GLN . . . . . 0.498 HE21 ' HA ' ' A' ' 567' ' ' GLU . 26.8 pt20 -69.67 -36.42 76.01 Favored 'General case' 0 C--N 1.326 -0.451 0 C-N-CA 120.714 -0.394 . . . . 1.72 110.784 179.918 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 571' ' ' ALA . . . . . . . . . . . . . . . -63.48 -45.67 89.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.567 -0.288 . . . . 1.08 111.225 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 572' ' ' MET . . . . . 0.662 ' HG3' ' O ' ' A' ' 568' ' ' ALA . 27.0 mtt -67.01 -45.0 78.88 Favored 'General case' 0 CA--C 1.516 -0.33 0 CA-C-N 116.537 -0.301 . . . . 1.05 110.989 -178.335 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 573' ' ' VAL . . . . . 0.54 ' O ' ' HG2' ' A' ' 577' ' ' GLN . 93.4 t -58.74 -47.6 88.58 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 C-N-CA 120.793 -0.363 . . . . 1.08 110.221 -179.412 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 574' ' ' GLN . . . . . . . . . . . . . 79.0 mt-30 -63.39 -37.45 87.33 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-O 120.906 0.384 . . . . 2.79 110.959 179.278 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 575' ' ' TYR . . . . . . . . . . . . . 86.3 t80 -68.25 -53.53 23.95 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.268 -0.423 . . . . 1.09 111.113 -179.456 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 576' ' ' TYR . . . . . 0.498 ' HA ' ' O ' ' A' ' 579' ' ' LYS . 80.5 m-85 -73.14 -13.12 61.12 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 112.648 0.61 . . . . 1.03 112.648 -176.527 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 577' ' ' GLN . . . . . 0.54 ' HG2' ' O ' ' A' ' 573' ' ' VAL . 11.6 mm-40 -71.37 -41.98 69.01 Favored 'General case' 0 C--N 1.327 -0.411 0 C-N-CA 120.616 -0.433 . . . . 2.14 110.203 171.165 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 578' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -88.18 -38.97 14.87 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.36 -0.382 . . . . 2.14 111.03 179.905 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 579' ' ' LYS . . . . . 0.498 ' O ' ' HA ' ' A' ' 576' ' ' TYR . 28.0 mtpp -128.95 92.55 39.48 Favored Pre-proline 0 C--N 1.324 -0.501 0 N-CA-C 109.878 -0.416 . . . . 2.95 109.878 176.615 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 580' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo -70.1 160.01 51.1 Favored 'Trans proline' 0 C--O 1.235 0.343 0 C-N-CA 122.292 1.994 . . . . 0.51 112.014 -179.549 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 581' ' ' ALA . . . . . 0.441 ' O ' ' HG ' ' A' ' 588' ' ' LEU . . . -91.51 132.87 35.98 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 109.765 -0.458 . . . . 1.09 109.765 179.549 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 582' ' ' ILE . . . . . . . . . . . . . 34.0 mt -103.45 120.18 53.07 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.752 0 CA-C-O 121.061 0.458 . . . . 1.19 111.343 -175.155 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 583' ' ' ILE . . . . . . . . . . . . . 27.3 mm -128.27 115.09 36.9 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 CA-C-N 115.595 -0.729 . . . . 1.21 109.682 174.528 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 584' ' ' ASN . . . . . . . . . . . . . 4.4 m-20 58.97 33.46 23.04 Favored 'General case' 0 N--CA 1.465 0.316 0 CA-C-O 121.608 0.718 . . . . 1.34 110.45 178.69 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 585' ' ' GLY . . . . . . . . . . . . . . . 85.12 -1.74 88.59 Favored Glycine 0 N--CA 1.445 -0.741 0 CA-C-N 115.073 -0.967 . . . . 0.51 113.707 177.472 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 586' ' ' GLU . . . . . . . . . . . . . 25.9 mt-10 -104.23 127.55 51.87 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 117.497 0.649 . . . . 1.79 111.11 -178.724 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 587' ' ' LYS . . . . . . . . . . . . . 30.0 mmtp -76.52 118.08 18.83 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.117 -0.947 . . . . 2.25 110.928 179.141 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 588' ' ' LEU . . . . . 0.441 ' HG ' ' O ' ' A' ' 581' ' ' ALA . 44.2 mt -81.38 139.82 35.08 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.954 -0.566 . . . . 1.03 111.067 -177.004 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 589' ' ' LEU . . . . . . . . . . . . . 61.3 tp -113.03 113.62 25.71 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.898 -0.592 . . . . 1.13 110.976 -179.573 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 590' ' ' ILE . . . . . 0.419 HD13 ' CE2' ' A' ' 576' ' ' TYR . 24.1 mt -106.08 118.69 54.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 N-CA-C 110.041 -0.355 . . . . 1.08 110.041 175.055 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 591' ' ' ARG . . . . . . . . . . . . . 68.7 mtp180 -145.4 166.03 26.78 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-O 120.757 0.313 . . . . 3.18 110.608 -178.227 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 592' ' ' MET . . . . . . . . . . . . . 61.9 mtt -82.53 142.09 32.11 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.457 -0.338 . . . . 1.13 110.788 -177.191 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 593' ' ' SER . . . . . . . . . . . . . 47.6 t -86.58 137.52 32.43 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.538 0.685 . . . . 1.65 111.887 -174.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 594' ' ' THR . . . . . . . . . . . . . 17.0 p -90.95 -12.67 35.28 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 114.697 -1.138 . . . . 1.14 112.206 179.257 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 595' ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 -101.07 -30.95 11.31 Favored 'General case' 0 C--N 1.332 -0.189 0 N-CA-C 112.384 0.513 . . . . 3.37 112.384 -170.838 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 596' ' ' TYR . . . . . . . . . . . . . 47.8 m-85 -118.43 144.66 45.79 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 121.185 0.517 . . . . 1.15 111.614 -176.848 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 597' ' ' LYS . . . . . 0.608 ' N ' ' HD2' ' A' ' 597' ' ' LYS . 6.4 mptt -109.82 -9.94 14.79 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.293 -0.867 . . . . 2.63 110.271 176.315 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 598' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -144.67 150.22 36.98 Favored 'General case' 0 N--CA 1.45 -0.428 0 CA-C-N 116.36 -0.382 . . . . 0.95 110.832 -179.865 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 599' ' ' LEU . . . . . 0.493 HD21 HG13 ' A' ' 521' ' ' VAL . 47.7 mt -111.82 121.4 44.97 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.581 -0.736 . . . . 1.18 110.769 174.536 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 600' ' ' GLN . . . . . . . . . . . . . 27.7 tt0 -113.54 121.98 45.87 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.59 -0.732 . . . . 1.65 110.342 -179.832 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 601' ' ' LEU . . . . . . . . . . . . . 78.5 mt -75.21 90.13 2.56 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.889 0.376 . . . . 1.23 111.245 -179.203 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 602' ' ' LYS . . . . . . . . . . . . . 96.8 mttt -65.09 -35.25 80.55 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 108.856 -0.794 . . . . 2.22 108.856 171.672 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 603' ' ' LYS . . . . . . . . . . . . . 75.3 mmtt . . . . . 0 C--N 1.322 -0.62 0 CA-C-N 114.873 -1.058 . . . . 2.26 108.472 173.73 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 607' ' ' ASN . . . . . . . . . . . . . 33.5 t30 . . . . . 0 C--O 1.232 0.176 0 CA-C-O 121.239 0.542 . . . . 1.8 111.523 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 608' ' ' VAL . . . . . 0.556 HG11 ' HB ' ' A' ' 547' ' ' VAL . 46.2 t -85.59 -20.23 8.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-N 115.644 -0.707 . . . . 1.07 110.914 -177.476 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 609' ' ' ALA . . . . . . . . . . . . . . . -64.5 -34.81 79.09 Favored 'General case' 0 C--O 1.237 0.447 0 CA-C-O 121.533 0.682 . . . . 1.27 110.665 177.669 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 610' ' ' ALA . . . . . . . . . . . . . . . -64.88 -27.74 69.07 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.561 -0.745 . . . . 1.14 110.095 177.367 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 611' ' ' ILE . . . . . . . . . . . . . 74.4 mt -71.68 -29.4 34.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 115.725 -0.671 . . . . 1.03 109.779 177.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 612' ' ' ILE . . . . . . . . . . . . . 61.4 mt -60.74 -44.1 96.57 Favored 'Isoleucine or valine' 0 C--O 1.234 0.26 0 N-CA-C 109.554 -0.535 . . . . 1.11 109.554 173.012 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 613' ' ' GLN . . . . . . . . . . . . . 30.8 mm-40 -66.5 -30.64 71.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.344 0.592 . . . . 3.02 109.858 176.757 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 614' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -66.06 -39.43 90.09 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 114.995 -1.002 . . . . 1.95 110.708 -179.377 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 615' ' ' ILE . . . . . 0.412 HD12 ' HB2' ' A' ' 542' ' ' LEU . 87.9 mt -64.93 -42.97 96.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.455 . . . . 1.08 110.429 176.505 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 616' ' ' HIS . . . . . . . . . . . . . 22.4 m-70 -66.38 -27.04 67.56 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.145 -0.48 . . . . 1.73 111.278 178.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 617' ' ' SER . . . . . . . . . . . . . 46.6 t . . . . . 0 C--N 1.329 -0.296 0 CA-C-O 121.199 0.523 . . . . 1.77 109.91 175.391 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 520' ' ' ARG . . . . . . . . . . . . . 50.0 mtm-85 . . . . . 0 N--CA 1.454 -0.258 0 CA-C-O 121.228 0.537 . . . . 2.86 111.243 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 521' ' ' VAL . . . . . 0.525 HG11 HD21 ' A' ' 599' ' ' LEU . 95.1 t -117.01 121.44 67.8 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.722 0 CA-C-N 115.225 -0.898 . . . . 1.14 110.648 171.252 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 522' ' ' VAL . . . . . 0.446 ' HB ' ' O ' ' A' ' 561' ' ' LEU . 24.2 t -121.63 122.59 67.43 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 N-CA-C 108.565 -0.902 . . . . 1.05 108.565 178.092 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 523' ' ' HIS . . . . . 0.416 ' HB2' ' OG ' ' A' ' 593' ' ' SER . 59.3 t-80 -105.69 135.4 47.18 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.097 0.475 . . . . 0.57 110.578 -175.147 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 524' ' ' ILE . . . . . . . . . . . . . 33.1 mt -111.2 138.85 37.83 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.801 0 N-CA-C 108.791 -0.818 . . . . 1.06 108.791 177.067 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 525' ' ' CYS . . . . . 0.473 ' O ' ' HB2' ' A' ' 526' ' ' ASN . 0.0 OUTLIER -132.65 159.06 40.68 Favored 'General case' 0 C--N 1.317 -0.843 0 C-N-CA 120.796 -0.362 . . . . 1.75 111.241 -171.922 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 526' ' ' ASN . . . . . 0.473 ' HB2' ' O ' ' A' ' 525' ' ' CYS . 87.4 m-20 86.95 30.67 0.03 OUTLIER 'General case' 0 N--CA 1.471 0.603 0 O-C-N 124.764 1.29 . . . . 0.28 110.924 173.784 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 527' ' ' LEU . . . . . 0.406 ' HA ' ' HD3' ' A' ' 528' ' ' PRO . 80.2 mt -92.86 124.66 57.89 Favored Pre-proline 0 C--N 1.323 -0.583 0 CA-C-N 115.561 -0.745 . . . . 1.04 109.559 177.379 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 528' ' ' PRO . . . . . 0.406 ' HD3' ' HA ' ' A' ' 527' ' ' LEU . 5.7 Cg_exo -74.23 133.68 18.15 Favored 'Trans proline' 0 N--CA 1.458 -0.606 0 C-N-CA 121.695 1.597 . . . . 0.5 111.379 -179.426 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 529' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -66.69 133.23 49.78 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 109.541 -0.54 . . . . 1.6 109.541 177.186 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 530' ' ' GLY . . . . . . . . . . . . . . . 90.42 3.54 71.9 Favored Glycine 0 N--CA 1.446 -0.645 0 N-CA-C 110.33 -1.108 . . . . 0.52 110.33 -171.113 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 531' ' ' SER . . . . . . . . . . . . . 55.5 m -149.55 9.02 0.7 Allowed 'General case' 0 N--CA 1.45 -0.457 0 CA-C-N 115.005 -0.598 . . . . 1.49 110.202 -177.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 532' ' ' CYS . . . . . 0.413 ' O ' HD11 ' A' ' 552' ' ' LEU . 59.4 m -89.71 88.03 7.23 Favored 'General case' 0 CA--C 1.51 -0.571 0 N-CA-C 108.133 -1.062 . . . . 0.25 108.133 175.88 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 533' ' ' THR . . . . . 0.513 ' O ' HG22 ' A' ' 537' ' ' VAL . 30.3 p -96.11 150.36 20.59 Favored 'General case' 0 N--CA 1.441 -0.903 0 C-N-CA 119.728 -0.789 . . . . 1.1 109.225 -177.03 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 534' ' ' GLU . . . . . 0.447 ' N ' HD13 ' A' ' 552' ' ' LEU . 29.5 mt-10 -67.25 -33.59 75.64 Favored 'General case' 0 C--N 1.317 -0.818 0 N-CA-C 108.771 -0.826 . . . . 1.64 108.771 177.144 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 535' ' ' ASN . . . . . . . . . . . . . 6.0 m120 -64.47 -49.51 71.11 Favored 'General case' 0 C--O 1.213 -0.817 0 CA-C-N 114.67 -1.15 . . . . 1.86 111.862 -178.507 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 536' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -68.65 -44.59 73.79 Favored 'General case' 0 N--CA 1.474 0.75 0 CA-C-N 118.642 0.655 . . . . 0.61 111.206 -172.637 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 537' ' ' VAL . . . . . 0.513 HG22 ' O ' ' A' ' 533' ' ' THR . 40.4 t -61.11 -48.12 90.47 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.765 0 CA-C-N 114.764 -1.107 . . . . 1.03 110.336 -178.282 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 538' ' ' ILE . . . . . 0.569 HD13 ' CG ' ' A' ' 550' ' ' TYR . 65.8 mt -68.89 -34.33 63.8 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 CA-C-N 115.795 -0.638 . . . . 1.06 111.567 176.314 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 539' ' ' ASN . . . . . 0.438 ' HA ' HD12 ' A' ' 615' ' ' ILE . 10.2 m120 -57.71 -28.54 63.93 Favored 'General case' 0 CA--C 1.514 -0.413 0 N-CA-C 110.411 -0.218 . . . . 0.25 110.411 178.622 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 540' ' ' LEU . . . . . 0.443 HD13 HD13 ' A' ' 588' ' ' LEU . 76.4 mt -76.99 -41.8 41.39 Favored 'General case' 0 C--N 1.324 -0.524 0 C-N-CA 120.797 -0.361 . . . . 1.11 110.399 174.028 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 541' ' ' GLY . . . . . 0.447 ' HA2' ' SD ' ' A' ' 572' ' ' MET . . . -62.36 -52.47 49.08 Favored Glycine 0 CA--C 1.522 0.527 0 N-CA-C 115.47 0.948 . . . . 0.19 115.47 -179.189 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 542' ' ' LEU . . . . . 0.5 ' HB2' ' CD1' ' A' ' 615' ' ' ILE . 57.4 mt -57.05 -44.32 99.72 Favored Pre-proline 0 C--N 1.318 -0.766 0 N-CA-C 114.782 1.401 . . . . 1.06 114.782 -170.148 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 543' ' ' PRO . . . . . 0.426 ' HD2' ' O ' ' A' ' 540' ' ' LEU . 51.0 Cg_exo -58.11 -26.44 75.71 Favored 'Trans proline' 0 C--N 1.349 0.604 0 C-N-CA 122.105 1.87 . . . . 0.25 113.934 -177.143 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 544' ' ' PHE . . . . . 0.481 ' HB2' ' HE2' ' A' ' 572' ' ' MET . 95.7 m-85 -103.95 -6.66 21.05 Favored 'General case' 0 C--O 1.235 0.31 0 O-C-N 121.985 -0.447 . . . . 0.38 111.577 178.926 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 545' ' ' GLY . . . . . 0.445 ' O ' ' HA ' ' A' ' 542' ' ' LEU . . . 169.51 151.84 7.54 Favored Glycine 0 C--O 1.227 -0.312 0 C-N-CA 121.004 -0.617 . . . . 0.44 111.999 -179.401 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 546' ' ' LYS . . . . . . . . . . . . . 87.4 tttt -66.37 131.16 45.46 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.039 0.447 . . . . 2.62 111.08 -177.76 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 547' ' ' VAL . . . . . 0.568 ' HB ' HG11 ' A' ' 608' ' ' VAL . 69.7 t -87.88 116.12 29.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-N 115.595 -0.729 . . . . 1.05 110.784 178.174 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 548' ' ' THR . . . . . . . . . . . . . 23.1 p -93.84 -35.0 12.93 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.105 -0.498 . . . . 1.11 111.839 179.032 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 549' ' ' ASN . . . . . 0.471 ' HB2' ' CB ' ' A' ' 562' ' ' GLU . 90.3 m-20 -142.57 160.4 40.37 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.188 0.518 . . . . 1.49 110.767 178.539 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 550' ' ' TYR . . . . . 0.569 ' CG ' HD13 ' A' ' 538' ' ' ILE . 2.9 p90 -161.22 150.99 16.99 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.22 -0.9 . . . . 0.96 109.158 179.802 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 551' ' ' ILE . . . . . 0.442 ' HB ' ' HB2' ' A' ' 560' ' ' PHE . 77.1 mt -144.39 123.95 7.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 N-CA-C 108.396 -0.965 . . . . 1.1 108.396 -175.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 552' ' ' LEU . . . . . 0.447 HD13 ' N ' ' A' ' 534' ' ' GLU . 31.5 mt -107.08 114.97 29.36 Favored 'General case' 0 C--N 1.316 -0.877 0 C-N-CA 120.198 -0.601 . . . . 1.17 110.827 -177.561 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 553' ' ' MET . . . . . . . . . . . . . 16.6 mtp -104.44 81.03 1.75 Allowed 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 108.366 -0.976 . . . . 1.55 108.366 -176.53 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 554' ' ' LYS . . . . . . . . . . . . . 14.1 mmtm -54.03 -29.24 42.98 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 114.703 -1.135 . . . . 1.63 112.533 177.188 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 555' ' ' SER . . . . . . . . . . . . . 65.4 p -69.16 -45.32 70.33 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.65 0.262 . . . . 0.7 111.671 -171.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 556' ' ' THR . . . . . 0.435 ' O ' ' HG3' ' A' ' 558' ' ' GLN . 44.1 p -99.83 6.83 45.32 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 112.352 0.501 . . . . 1.14 112.352 -176.169 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 557' ' ' ASN . . . . . . . . . . . . . 16.7 m120 60.18 42.26 15.65 Favored 'General case' 0 C--O 1.236 0.38 0 CA-C-O 121.522 0.677 . . . . 2.03 110.175 -176.735 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 558' ' ' GLN . . . . . 0.435 ' HG3' ' O ' ' A' ' 556' ' ' THR . 76.9 mt-30 -139.52 167.18 22.68 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.21 -0.904 . . . . 1.24 110.044 -175.143 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 559' ' ' ALA . . . . . . . . . . . . . . . -158.95 165.88 33.1 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.976 0.417 . . . . 1.04 111.531 177.577 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 560' ' ' PHE . . . . . 0.442 ' HB2' ' HB ' ' A' ' 551' ' ' ILE . 83.8 m-85 -119.54 151.0 39.33 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.172 -0.467 . . . . 0.46 111.269 175.401 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 561' ' ' LEU . . . . . 0.446 ' O ' ' HB ' ' A' ' 522' ' ' VAL . 54.4 tp -137.46 118.81 14.68 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.252 -0.885 . . . . 1.06 109.78 179.836 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 562' ' ' GLU . . . . . 0.471 ' CB ' ' HB2' ' A' ' 549' ' ' ASN . 28.6 tt0 -99.93 124.96 45.82 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.417 0.627 . . . . 2.09 110.216 178.624 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 563' ' ' MET . . . . . 0.597 ' SD ' ' HA ' ' A' ' 569' ' ' ALA . 26.9 mtt -111.23 146.66 36.56 Favored 'General case' 0 C--N 1.315 -0.898 0 CA-C-N 114.989 -1.005 . . . . 1.06 109.531 -175.595 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 564' ' ' ALA . . . . . . . . . . . . . . . -66.62 -22.81 66.11 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.792 -0.64 . . . . 1.25 112.554 -170.856 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 565' ' ' TYR . . . . . 0.417 ' HB3' ' HG2' ' A' ' 567' ' ' GLU . 83.1 m-85 -143.32 156.8 44.8 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.005 0.431 . . . . 1.39 110.748 -179.878 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 566' ' ' THR . . . . . . . . . . . . . 12.2 t -68.12 -27.21 66.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.512 -0.767 . . . . 1.24 110.576 -178.597 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 567' ' ' GLU . . . . . 0.417 ' HG2' ' HB3' ' A' ' 565' ' ' TYR . 9.3 pt-20 -55.93 -32.97 64.27 Favored 'General case' 0 N--CA 1.462 0.149 0 CA-C-N 115.861 -0.609 . . . . 0.89 110.986 176.612 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 568' ' ' ALA . . . . . 0.598 ' O ' ' HG3' ' A' ' 572' ' ' MET . . . -73.55 -43.99 58.54 Favored 'General case' 0 N--CA 1.45 -0.431 0 CA-C-N 115.608 -0.724 . . . . 1.08 110.938 -176.525 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 569' ' ' ALA . . . . . 0.597 ' HA ' ' SD ' ' A' ' 563' ' ' MET . . . -64.39 -45.66 86.7 Favored 'General case' 0 CA--C 1.518 -0.258 0 CA-C-N 116.136 -0.484 . . . . 1.0 111.316 -174.871 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 570' ' ' GLN . . . . . . . . . . . . . 12.7 pt20 -67.64 -36.17 80.27 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.242 -0.436 . . . . 1.72 110.747 -179.138 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 571' ' ' ALA . . . . . . . . . . . . . . . -64.4 -45.51 87.28 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.238 -0.437 . . . . 1.08 110.972 179.882 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 572' ' ' MET . . . . . 0.598 ' HG3' ' O ' ' A' ' 568' ' ' ALA . 28.3 mtt -68.95 -43.48 74.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.358 -0.383 . . . . 1.05 111.071 -177.657 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 573' ' ' VAL . . . . . 0.531 HG21 ' O ' ' A' ' 569' ' ' ALA . 87.8 t -59.09 -47.94 88.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 C-N-CA 120.943 -0.303 . . . . 1.08 110.46 -178.903 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 574' ' ' GLN . . . . . . . . . . . . . 23.0 mt-30 -66.73 -37.5 84.79 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.847 0.356 . . . . 2.79 111.029 179.666 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 575' ' ' TYR . . . . . . . . . . . . . 86.9 t80 -68.0 -53.17 27.96 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.282 -0.417 . . . . 1.09 111.109 -178.746 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 576' ' ' TYR . . . . . 0.443 ' CD2' HD12 ' A' ' 590' ' ' ILE . 84.2 m-85 -73.72 -12.64 60.78 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 113.055 0.761 . . . . 1.03 113.055 -176.646 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 577' ' ' GLN . . . . . 0.513 ' HG3' ' O ' ' A' ' 573' ' ' VAL . 25.2 mt-30 -78.98 -33.96 44.64 Favored 'General case' 0 C--N 1.323 -0.56 0 C-N-CA 120.314 -0.554 . . . . 2.14 110.242 172.654 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 578' ' ' GLU . . . . . . . . . . . . . 16.5 mm-40 -88.72 -38.87 14.39 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.798 0.332 . . . . 2.14 110.932 177.013 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 579' ' ' LYS . . . . . 0.416 ' O ' ' HA ' ' A' ' 576' ' ' TYR . 97.5 mttt -132.2 92.47 28.8 Favored Pre-proline 0 C--N 1.327 -0.388 0 N-CA-C 109.648 -0.501 . . . . 2.95 109.648 176.601 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 580' ' ' PRO . . . . . . . . . . . . . 57.5 Cg_endo -72.46 160.4 46.86 Favored 'Trans proline' 0 N--CA 1.462 -0.371 0 C-N-CA 122.661 2.241 . . . . 0.51 112.691 -177.17 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 581' ' ' ALA . . . . . . . . . . . . . . . -93.31 133.33 36.65 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.856 -0.611 . . . . 1.09 109.364 176.776 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 582' ' ' ILE . . . . . . . . . . . . . 55.8 mt -99.95 120.42 49.34 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.816 0 CA-C-O 120.819 0.343 . . . . 1.19 110.755 -176.019 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 583' ' ' ILE . . . . . 0.42 HG13 HD11 ' A' ' 588' ' ' LEU . 32.7 mm -123.11 111.59 30.32 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 116.12 -0.491 . . . . 1.21 109.68 176.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 584' ' ' ASN . . . . . . . . . . . . . 54.1 m-80 54.73 37.07 27.69 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-O 121.492 0.663 . . . . 1.34 110.583 -177.8 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 585' ' ' GLY . . . . . . . . . . . . . . . 84.59 2.63 88.77 Favored Glycine 0 N--CA 1.447 -0.614 0 CA-C-N 115.12 -0.946 . . . . 0.51 113.872 176.55 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 586' ' ' GLU . . . . . . . . . . . . . 33.6 mt-10 -111.29 126.96 55.45 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 117.375 0.587 . . . . 1.79 110.917 178.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 587' ' ' LYS . . . . . . . . . . . . . 95.0 mttt -73.83 126.16 29.78 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.447 -0.797 . . . . 2.25 111.384 179.631 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 588' ' ' LEU . . . . . 0.443 HD13 HD13 ' A' ' 540' ' ' LEU . 32.6 mt -80.67 141.27 35.08 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.065 0.459 . . . . 1.03 111.322 -179.843 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 589' ' ' LEU . . . . . . . . . . . . . 58.6 tp -112.54 111.21 21.88 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.594 -0.73 . . . . 1.13 110.352 176.905 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 590' ' ' ILE . . . . . 0.443 HD12 ' CD2' ' A' ' 576' ' ' TYR . 21.8 mt -102.61 120.04 51.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 N-CA-C 109.939 -0.393 . . . . 1.08 109.939 175.68 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 591' ' ' ARG . . . . . . . . . . . . . 76.4 mtt180 -147.5 165.63 29.71 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.996 0.427 . . . . 3.18 110.475 -177.78 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 592' ' ' MET . . . . . . . . . . . . . 62.9 mtt -82.32 136.98 34.92 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.902 -0.59 . . . . 1.13 110.561 -178.161 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 593' ' ' SER . . . . . 0.416 ' OG ' ' HB2' ' A' ' 523' ' ' HIS . 18.1 m -81.81 139.09 34.98 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.04 0.448 . . . . 1.65 111.528 -177.428 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 594' ' ' THR . . . . . . . . . . . . . 18.9 p -92.8 -13.51 29.08 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.123 -0.944 . . . . 1.14 113.028 -177.61 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 595' ' ' ARG . . . . . . . . . . . . . 68.5 mtt180 -103.14 -29.74 11.14 Favored 'General case' 0 N--CA 1.465 0.287 0 N-CA-C 113.149 0.796 . . . . 3.37 113.149 -170.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 596' ' ' TYR . . . . . . . . . . . . . 50.6 m-85 -117.69 146.98 43.35 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 112.471 0.545 . . . . 1.15 112.471 -175.781 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 597' ' ' LYS . . . . . 0.467 ' N ' ' HD2' ' A' ' 597' ' ' LYS . 0.5 OUTLIER -108.44 -12.7 14.98 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.37 -0.832 . . . . 2.63 111.611 178.701 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 598' ' ' GLU . . . . . . . . . . . . . 45.4 tt0 -146.37 149.45 33.8 Favored 'General case' 0 C--N 1.326 -0.441 0 C-N-CA 120.66 -0.416 . . . . 0.95 111.005 178.894 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 599' ' ' LEU . . . . . 0.525 HD21 HG11 ' A' ' 521' ' ' VAL . 72.8 mt -105.54 126.01 51.64 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.448 -0.796 . . . . 1.18 111.238 177.627 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 600' ' ' GLN . . . . . . . . . . . . . 28.5 tt0 -110.19 127.24 54.83 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.878 -0.601 . . . . 1.65 110.305 179.398 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 601' ' ' LEU . . . . . . . . . . . . . 68.4 mt -81.65 94.38 6.94 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.815 0.341 . . . . 1.23 110.817 -179.764 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 602' ' ' LYS . . . . . . . . . . . . . 96.6 mttt -76.31 -15.3 60.02 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.106 0.479 . . . . 2.22 110.56 176.45 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 603' ' ' LYS . . . . . . . . . . . . . 33.6 mmtp . . . . . 0 C--N 1.324 -0.511 0 CA-C-N 115.853 -0.612 . . . . 2.26 109.825 179.086 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 607' ' ' ASN . . . . . . . . . . . . . 30.3 t30 . . . . . 0 C--O 1.233 0.235 0 CA-C-O 121.266 0.555 . . . . 1.8 111.039 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 608' ' ' VAL . . . . . 0.568 HG11 ' HB ' ' A' ' 547' ' ' VAL . 92.5 t -89.12 -20.97 6.99 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.684 0 CA-C-N 115.275 -0.875 . . . . 1.07 110.868 -174.121 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 609' ' ' ALA . . . . . . . . . . . . . . . -63.67 -34.52 78.03 Favored 'General case' 0 C--O 1.239 0.503 0 CA-C-O 121.606 0.717 . . . . 1.27 110.027 174.175 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 610' ' ' ALA . . . . . . . . . . . . . . . -65.72 -27.27 68.2 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.431 -0.804 . . . . 1.14 110.017 175.72 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 611' ' ' ILE . . . . . 0.457 ' O ' ' HB3' ' A' ' 614' ' ' ASP . 75.0 mt -72.05 -29.44 32.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 115.792 -0.64 . . . . 1.03 109.904 177.915 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 612' ' ' ILE . . . . . . . . . . . . . 64.4 mt -61.19 -43.93 97.37 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.238 0 N-CA-C 109.519 -0.549 . . . . 1.11 109.519 171.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 613' ' ' GLN . . . . . . . . . . . . . 33.0 mm-40 -62.82 -32.89 74.18 Favored 'General case' 0 N--CA 1.463 0.194 0 CA-C-N 115.926 -0.579 . . . . 3.02 110.241 174.632 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 614' ' ' ASP . . . . . 0.457 ' HB3' ' O ' ' A' ' 611' ' ' ILE . 31.6 t70 -65.5 -44.97 85.36 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.071 -0.968 . . . . 1.95 110.43 179.604 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 615' ' ' ILE . . . . . 0.5 ' CD1' ' HB2' ' A' ' 542' ' ' LEU . 91.6 mt -62.67 -45.52 98.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 115.931 -0.577 . . . . 1.08 110.997 177.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 616' ' ' HIS . . . . . . . . . . . . . 19.6 m-70 -65.09 -32.73 74.57 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.077 -0.51 . . . . 1.73 111.246 -179.593 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 617' ' ' SER . . . . . . . . . . . . . 22.8 t . . . . . 0 N--CA 1.449 -0.476 0 CA-C-N 116.281 -0.418 . . . . 1.77 110.339 179.412 . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' A' A ' 520' ' ' ARG . . . . . . . . . . . . . 21.6 mtm-85 . . . . . 0 N--CA 1.451 -0.381 0 CA-C-O 121.158 0.504 . . . . 2.86 110.676 . . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' A' A ' 521' ' ' VAL . . . . . 0.463 HG13 HD22 ' A' ' 599' ' ' LEU . 65.4 t -120.29 126.0 74.8 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 115.636 -0.711 . . . . 1.14 110.772 168.268 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 522' ' ' VAL . . . . . 0.542 ' HB ' ' O ' ' A' ' 561' ' ' LEU . 21.9 t -119.37 121.5 66.64 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.796 0 N-CA-C 107.368 -1.345 . . . . 1.05 107.368 172.452 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 523' ' ' HIS . . . . . . . . . . . . . 39.9 t-80 -106.4 129.91 54.31 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 121.229 0.538 . . . . 0.57 110.884 -172.198 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 524' ' ' ILE . . . . . 0.414 HG12 HG12 ' A' ' 590' ' ' ILE . 32.3 mt -111.11 140.52 30.01 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.918 0 N-CA-C 108.692 -0.855 . . . . 1.06 108.692 179.149 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 525' ' ' CYS . . . . . 0.486 ' O ' ' HB2' ' A' ' 526' ' ' ASN . 4.0 p -140.39 162.75 34.57 Favored 'General case' 0 C--N 1.316 -0.889 0 C-N-CA 120.606 -0.438 . . . . 1.75 111.827 -175.814 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 526' ' ' ASN . . . . . 0.486 ' HB2' ' O ' ' A' ' 525' ' ' CYS . 95.3 m-20 87.62 28.2 0.03 OUTLIER 'General case' 0 N--CA 1.472 0.658 0 O-C-N 124.922 1.389 . . . . 0.28 110.651 177.732 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 527' ' ' LEU . . . . . 0.409 ' HA ' ' HD3' ' A' ' 528' ' ' PRO . 90.0 mt -84.03 125.14 73.47 Favored Pre-proline 0 C--N 1.321 -0.646 0 N-CA-C 108.348 -0.982 . . . . 1.04 108.348 177.118 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 528' ' ' PRO . . . . . 0.409 ' HD3' ' HA ' ' A' ' 527' ' ' LEU . 3.1 Cg_exo -73.5 134.43 20.54 Favored 'Trans proline' 0 N--CA 1.458 -0.6 0 C-N-CA 121.446 1.431 . . . . 0.5 111.678 -178.734 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 529' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -64.61 138.3 58.32 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.029 -0.532 . . . . 1.6 109.568 178.153 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 530' ' ' GLY . . . . . . . . . . . . . . . 85.35 4.72 85.88 Favored Glycine 0 N--CA 1.445 -0.705 0 C-N-CA 120.07 -1.062 . . . . 0.52 111.157 -173.811 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 531' ' ' SER . . . . . . . . . . . . . 50.6 m -150.69 10.22 0.63 Allowed 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.142 0.496 . . . . 1.49 110.292 -176.249 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 532' ' ' CYS . . . . . 0.503 ' HB2' ' HD2' ' A' ' 554' ' ' LYS . 66.6 m -89.77 88.93 7.55 Favored 'General case' 0 N--CA 1.451 -0.417 0 N-CA-C 108.639 -0.874 . . . . 0.25 108.639 178.448 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 533' ' ' THR . . . . . 0.529 ' O ' HG23 ' A' ' 537' ' ' VAL . 72.6 p -102.03 151.1 22.55 Favored 'General case' 0 N--CA 1.443 -0.796 0 N-CA-C 109.018 -0.734 . . . . 1.1 109.018 -178.118 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 534' ' ' GLU . . . . . 0.527 ' HA ' HD13 ' A' ' 552' ' ' LEU . 13.0 mp0 -65.73 -33.78 76.67 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-O 121.472 0.653 . . . . 1.64 109.283 177.838 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 535' ' ' ASN . . . . . . . . . . . . . 64.6 t30 -62.32 -49.3 76.16 Favored 'General case' 0 N--CA 1.447 -0.611 0 CA-C-N 114.599 -1.182 . . . . 1.86 110.911 -176.373 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 536' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -70.42 -42.97 70.91 Favored 'General case' 0 N--CA 1.472 0.635 0 CA-C-O 121.109 0.48 . . . . 0.61 111.808 -173.25 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 537' ' ' VAL . . . . . 0.529 HG23 ' O ' ' A' ' 533' ' ' THR . 34.9 t -59.89 -47.61 90.9 Favored 'Isoleucine or valine' 0 C--O 1.243 0.736 0 CA-C-O 122.14 0.972 . . . . 1.03 109.694 -179.451 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 538' ' ' ILE . . . . . 0.601 HD11 ' CG ' ' A' ' 550' ' ' TYR . 68.0 mt -68.3 -33.1 58.58 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.772 0 CA-C-N 115.056 -0.974 . . . . 1.06 111.323 175.855 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 539' ' ' ASN . . . . . . . . . . . . . 10.2 m120 -57.46 -28.19 63.13 Favored 'General case' 0 CA--C 1.513 -0.446 0 N-CA-C 110.366 -0.235 . . . . 0.25 110.366 177.279 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 540' ' ' LEU . . . . . 0.422 HD12 HD12 ' A' ' 588' ' ' LEU . 74.0 mt -76.45 -41.52 47.08 Favored 'General case' 0 C--N 1.323 -0.567 0 C-N-CA 120.668 -0.413 . . . . 1.11 110.326 174.421 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 541' ' ' GLY . . . . . 0.456 ' HA2' ' SD ' ' A' ' 572' ' ' MET . . . -65.95 -52.63 35.98 Favored Glycine 0 CA--C 1.524 0.651 0 N-CA-C 115.533 0.973 . . . . 0.19 115.533 -179.122 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 542' ' ' LEU . . . . . 0.454 ' HB2' ' CD1' ' A' ' 615' ' ' ILE . 48.4 mt -55.63 -47.05 99.53 Favored Pre-proline 0 C--N 1.32 -0.678 0 N-CA-C 115.007 1.484 . . . . 1.06 115.007 -168.711 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 543' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_exo -58.08 -23.79 62.72 Favored 'Trans proline' 0 C--N 1.348 0.529 0 C-N-CA 122.25 1.966 . . . . 0.25 114.303 -176.058 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 544' ' ' PHE . . . . . 0.473 ' HB2' ' HE2' ' A' ' 572' ' ' MET . 99.6 m-85 -101.63 -16.57 16.68 Favored 'General case' 0 C--O 1.233 0.207 0 O-C-N 121.916 -0.49 . . . . 0.38 111.131 177.744 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 545' ' ' GLY . . . . . 0.432 ' O ' ' HA ' ' A' ' 542' ' ' LEU . . . -179.47 152.6 11.19 Favored Glycine 0 N--CA 1.448 -0.507 0 C-N-CA 120.723 -0.751 . . . . 0.44 112.004 -179.22 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 546' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -66.18 129.59 40.32 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 120.989 0.423 . . . . 2.62 110.79 -178.481 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 547' ' ' VAL . . . . . 0.546 ' HB ' HG11 ' A' ' 608' ' ' VAL . 72.8 t -86.08 114.66 26.08 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 CA-C-N 115.63 -0.714 . . . . 1.05 110.117 177.752 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 548' ' ' THR . . . . . . . . . . . . . 25.5 p -92.06 -36.33 13.42 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.14 -0.482 . . . . 1.11 111.363 -179.44 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 549' ' ' ASN . . . . . . . . . . . . . 21.1 m120 -145.58 156.77 43.9 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.96 -0.564 . . . . 1.49 110.368 178.642 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 550' ' ' TYR . . . . . 0.601 ' CG ' HD11 ' A' ' 538' ' ' ILE . 3.9 p90 -157.3 150.99 24.21 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 116.109 -0.496 . . . . 0.96 109.708 -179.038 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 551' ' ' ILE . . . . . 0.423 ' HB ' ' HB2' ' A' ' 560' ' ' PHE . 52.0 mt -144.05 123.81 8.14 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 N-CA-C 108.04 -1.096 . . . . 1.1 108.04 -179.857 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 552' ' ' LEU . . . . . 0.527 HD13 ' HA ' ' A' ' 534' ' ' GLU . 21.0 mt -108.06 130.47 55.08 Favored 'General case' 0 C--N 1.313 -1.003 0 C-N-CA 119.074 -1.05 . . . . 1.17 110.322 179.988 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 553' ' ' MET . . . . . . . . . . . . . 65.7 mtm -109.19 83.31 1.73 Allowed 'General case' 0 C--N 1.318 -0.78 0 N-CA-C 108.695 -0.854 . . . . 1.55 108.695 179.179 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 554' ' ' LYS . . . . . 0.503 ' HD2' ' HB2' ' A' ' 532' ' ' CYS . 20.8 mmtp -53.17 -28.07 24.52 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 114.703 -1.135 . . . . 1.63 112.174 175.948 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 555' ' ' SER . . . . . . . . . . . . . 64.1 p -69.16 -44.09 72.96 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.71 0.29 . . . . 0.7 111.505 -175.869 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 556' ' ' THR . . . . . . . . . . . . . 41.8 p -98.75 4.13 47.69 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 112.372 0.508 . . . . 1.14 112.372 -174.895 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 557' ' ' ASN . . . . . . . . . . . . . 40.2 m-80 58.72 37.86 25.04 Favored 'General case' 0 N--CA 1.467 0.419 0 CA-C-O 121.585 0.707 . . . . 2.03 110.416 -176.657 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 558' ' ' GLN . . . . . . . . . . . . . 77.8 mt-30 -143.65 167.19 22.84 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.224 -0.898 . . . . 1.24 109.193 -176.56 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 559' ' ' ALA . . . . . . . . . . . . . . . -157.77 166.53 32.5 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 112.601 0.593 . . . . 1.04 112.601 -175.475 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 560' ' ' PHE . . . . . 0.423 ' HB2' ' HB ' ' A' ' 551' ' ' ILE . 89.7 m-85 -120.32 143.31 48.44 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.278 -0.874 . . . . 0.46 110.443 177.624 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 561' ' ' LEU . . . . . 0.542 ' O ' ' HB ' ' A' ' 522' ' ' VAL . 61.2 tp -135.83 119.74 17.43 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.999 -0.546 . . . . 1.06 110.34 -178.692 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 562' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -102.51 136.38 42.44 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.152 0.501 . . . . 2.09 110.204 177.317 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 563' ' ' MET . . . . . 0.642 ' SD ' ' HA ' ' A' ' 569' ' ' ALA . 34.9 mtt -120.1 163.43 17.69 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.52 -0.764 . . . . 1.06 109.801 -172.424 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 564' ' ' ALA . . . . . . . . . . . . . . . -62.95 -43.24 99.33 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 118.203 0.456 . . . . 1.25 111.698 -172.6 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 565' ' ' TYR . . . . . . . . . . . . . 89.1 m-85 -135.45 161.99 33.9 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 120.975 0.417 . . . . 1.39 111.148 -179.347 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 566' ' ' THR . . . . . . . . . . . . . 14.1 t -64.7 -27.95 69.26 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-N 115.634 -0.712 . . . . 1.24 110.8 -178.499 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 567' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -58.84 -32.62 69.58 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-N 116.06 -0.518 . . . . 0.89 111.089 178.619 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 568' ' ' ALA . . . . . 0.663 ' O ' ' HG3' ' A' ' 572' ' ' MET . . . -73.79 -41.53 62.25 Favored 'General case' 0 N--CA 1.45 -0.467 0 CA-C-N 116.115 -0.493 . . . . 1.08 110.056 -178.506 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 569' ' ' ALA . . . . . 0.642 ' HA ' ' SD ' ' A' ' 563' ' ' MET . . . -63.32 -46.08 88.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.853 -0.612 . . . . 1.0 111.292 -176.325 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 570' ' ' GLN . . . . . . . . . . . . . 17.0 pt20 -68.24 -36.4 79.4 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.188 -0.46 . . . . 1.72 110.654 -178.265 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 571' ' ' ALA . . . . . . . . . . . . . . . -64.5 -44.77 89.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.124 -0.489 . . . . 1.08 111.133 179.893 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 572' ' ' MET . . . . . 0.663 ' HG3' ' O ' ' A' ' 568' ' ' ALA . 26.1 mtt -69.18 -42.62 75.6 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.539 -0.3 . . . . 1.05 110.805 -178.938 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 573' ' ' VAL . . . . . 0.509 HG22 ' O ' ' A' ' 569' ' ' ALA . 75.1 t -59.38 -46.53 92.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 N-CA-C 110.315 -0.254 . . . . 1.08 110.315 179.199 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 574' ' ' GLN . . . . . 0.418 ' HA ' ' OE1' ' A' ' 574' ' ' GLN . 14.6 mm-40 -61.14 -38.07 85.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.954 0.406 . . . . 2.79 110.722 178.039 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 575' ' ' TYR . . . . . . . . . . . . . 87.9 t80 -69.48 -53.16 20.54 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.761 -0.654 . . . . 1.09 111.366 -178.05 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 576' ' ' TYR . . . . . 0.472 ' CD2' HD12 ' A' ' 590' ' ' ILE . 94.5 m-85 -77.01 -13.79 59.91 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 112.997 0.74 . . . . 1.03 112.997 -174.378 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 577' ' ' GLN . . . . . 0.503 ' HG3' ' O ' ' A' ' 573' ' ' VAL . 48.3 mt-30 -75.03 -32.19 61.52 Favored 'General case' 0 C--N 1.326 -0.435 0 C-N-CA 120.061 -0.656 . . . . 2.14 109.419 171.786 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 578' ' ' GLU . . . . . . . . . . . . . 17.3 mm-40 -89.91 -38.94 13.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.943 -0.572 . . . . 2.14 111.516 176.181 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 579' ' ' LYS . . . . . . . . . . . . . 58.8 mtpt -134.31 85.56 38.2 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 116.719 -0.218 . . . . 2.95 110.864 -179.624 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 580' ' ' PRO . . . . . . . . . . . . . 36.4 Cg_endo -65.71 160.1 45.18 Favored 'Trans proline' 0 C--O 1.233 0.259 0 C-N-CA 122.826 2.351 . . . . 0.51 112.388 178.683 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 581' ' ' ALA . . . . . . . . . . . . . . . -93.04 144.82 24.88 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.352 -0.385 . . . . 1.09 110.195 -179.994 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 582' ' ' ILE . . . . . . . . . . . . . 59.1 mt -101.27 121.82 52.61 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 N-CA-C 111.865 0.32 . . . . 1.19 111.865 -176.937 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 583' ' ' ILE . . . . . . . . . . . . . 30.3 mm -126.78 111.16 25.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 N-CA-C 109.139 -0.689 . . . . 1.21 109.139 170.16 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 584' ' ' ASN . . . . . . . . . . . . . 83.6 m-20 56.13 35.77 26.25 Favored 'General case' 0 N--CA 1.464 0.275 0 CA-C-O 121.533 0.682 . . . . 1.34 110.514 -179.387 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 585' ' ' GLY . . . . . . . . . . . . . . . 83.8 6.91 86.53 Favored Glycine 0 N--CA 1.443 -0.849 0 CA-C-N 115.307 -0.861 . . . . 0.51 113.546 177.287 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 586' ' ' GLU . . . . . . . . . . . . . 20.3 mm-40 -101.14 125.07 47.73 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 117.367 0.583 . . . . 1.79 110.593 177.353 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 587' ' ' LYS . . . . . . . . . . . . . 74.0 mmtt -74.56 111.39 9.7 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.679 -0.692 . . . . 2.25 110.51 174.497 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 588' ' ' LEU . . . . . 0.422 HD12 HD12 ' A' ' 540' ' ' LEU . 56.1 mt -78.54 134.4 37.26 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.791 0.329 . . . . 1.03 110.767 -178.957 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 589' ' ' LEU . . . . . 0.448 ' HB3' ' SG ' ' A' ' 525' ' ' CYS . 57.9 tp -112.8 114.24 26.7 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.05 -0.523 . . . . 1.13 110.864 -178.191 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 590' ' ' ILE . . . . . 0.472 HD12 ' CD2' ' A' ' 576' ' ' TYR . 21.6 mt -100.35 120.88 50.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 N-CA-C 109.938 -0.393 . . . . 1.08 109.938 175.847 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 591' ' ' ARG . . . . . . . . . . . . . 69.4 mtp180 -146.89 165.42 29.81 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 109.633 -0.506 . . . . 3.18 109.633 -177.707 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 592' ' ' MET . . . . . . . . . . . . . 55.7 mtt -83.01 141.74 31.86 Favored 'General case' 0 C--N 1.319 -0.761 0 C-N-CA 120.911 -0.316 . . . . 1.13 110.54 -178.141 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 593' ' ' SER . . . . . . . . . . . . . 48.3 t -79.22 133.32 36.68 Favored 'General case' 0 C--O 1.239 0.521 0 CA-C-O 121.213 0.53 . . . . 1.65 111.166 -177.845 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 594' ' ' THR . . . . . . . . . . . . . 19.4 p -90.0 -14.95 32.9 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 114.578 -1.192 . . . . 1.14 111.342 179.179 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 595' ' ' ARG . . . . . . . . . . . . . 94.4 mtt180 -100.92 -29.53 12.16 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.758 0.313 . . . . 3.37 111.822 -173.084 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 596' ' ' TYR . . . . . . . . . . . . . 68.5 m-85 -118.87 143.29 47.06 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.424 0.631 . . . . 1.15 112.112 -175.663 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 597' ' ' LYS . . . . . . . . . . . . . 24.6 mmtp -107.5 -21.5 12.88 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 114.873 -1.058 . . . . 2.63 110.16 179.762 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 598' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -142.31 150.87 41.39 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.981 0.419 . . . . 0.95 110.812 -175.89 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 599' ' ' LEU . . . . . 0.463 HD22 HG13 ' A' ' 521' ' ' VAL . 74.0 mt -111.56 121.14 44.37 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.737 -0.665 . . . . 1.18 110.65 177.733 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 600' ' ' GLN . . . . . . . . . . . . . 28.8 tt0 -112.01 114.01 26.64 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.894 -0.593 . . . . 1.65 110.346 179.771 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 601' ' ' LEU . . . . . . . . . . . . . 57.6 mt -72.18 105.98 4.21 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.886 0.374 . . . . 1.23 111.039 179.186 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 602' ' ' LYS . . . . . . . . . . . . . 55.8 mtmt -90.33 -11.05 41.83 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 121.279 0.562 . . . . 2.22 110.069 174.01 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 603' ' ' LYS . . . . . . . . . . . . . 74.3 mmtt . . . . . 0 C--N 1.325 -0.499 0 CA-C-N 115.468 -0.787 . . . . 2.26 109.706 177.605 . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' A' A ' 607' ' ' ASN . . . . . . . . . . . . . 32.0 t30 . . . . . 0 N--CA 1.457 -0.115 0 CA-C-O 121.295 0.569 . . . . 1.8 110.885 . . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' A' A ' 608' ' ' VAL . . . . . 0.546 HG11 ' HB ' ' A' ' 547' ' ' VAL . 95.3 t -86.05 -18.44 8.83 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 CA-C-N 115.281 -0.872 . . . . 1.07 111.053 -175.786 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 609' ' ' ALA . . . . . . . . . . . . . . . -63.05 -34.67 78.08 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.291 0.567 . . . . 1.27 110.501 175.625 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 610' ' ' ALA . . . . . . . . . . . . . . . -65.55 -27.31 68.35 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.659 -0.7 . . . . 1.14 110.334 177.168 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 611' ' ' ILE . . . . . 0.44 ' O ' HG13 ' A' ' 615' ' ' ILE . 74.3 mt -71.97 -32.14 43.03 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.466 0 CA-C-N 115.629 -0.714 . . . . 1.03 109.951 178.047 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 612' ' ' ILE . . . . . 0.433 ' CG1' HD13 ' A' ' 542' ' ' LEU . 63.3 mt -61.11 -44.27 97.96 Favored 'Isoleucine or valine' 0 C--O 1.235 0.298 0 CA-C-O 121.108 0.48 . . . . 1.11 110.1 173.348 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 613' ' ' GLN . . . . . . . . . . . . . 25.4 mt-30 -63.39 -30.28 71.44 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.66 -0.7 . . . . 3.02 109.907 176.331 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 614' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -69.64 -44.52 70.42 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 114.739 -1.119 . . . . 1.95 110.137 -179.035 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 615' ' ' ILE . . . . . 0.454 ' CD1' ' HB2' ' A' ' 542' ' ' LEU . 88.0 mt -61.34 -48.55 88.38 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.246 0 CA-C-N 115.954 -0.566 . . . . 1.08 110.61 178.675 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 616' ' ' HIS . . . . . . . . . . . . . 14.7 m170 -63.54 -29.06 70.38 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.586 -0.734 . . . . 1.73 111.256 -177.835 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 617' ' ' SER . . . . . . . . . . . . . 11.2 t . . . . . 0 C--N 1.326 -0.455 0 CA-C-N 116.167 -0.469 . . . . 1.77 110.202 178.254 . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' A' A ' 520' ' ' ARG . . . . . . . . . . . . . 22.1 mtm-85 . . . . . 0 N--CA 1.453 -0.321 0 CA-C-O 121.122 0.487 . . . . 2.86 111.162 . . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' A' A ' 521' ' ' VAL . . . . . 0.469 HG11 HD23 ' A' ' 599' ' ' LEU . 90.5 t -117.19 120.29 64.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-N 115.565 -0.743 . . . . 1.14 110.409 172.302 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 522' ' ' VAL . . . . . 0.505 ' HB ' ' O ' ' A' ' 561' ' ' LEU . 21.9 t -121.44 121.78 65.53 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.811 0 N-CA-C 108.255 -1.017 . . . . 1.05 108.255 176.003 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 523' ' ' HIS . . . . . 0.418 ' HD2' ' CE1' ' A' ' 560' ' ' PHE . 59.3 t-80 -105.86 134.05 49.6 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.139 0.495 . . . . 0.57 110.664 -174.559 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 524' ' ' ILE . . . . . 0.447 HG12 HG12 ' A' ' 590' ' ' ILE . 24.9 mt -111.26 137.94 41.7 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.786 0 N-CA-C 108.42 -0.955 . . . . 1.06 108.42 177.748 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 525' ' ' CYS . . . . . 0.415 ' O ' ' HB2' ' A' ' 526' ' ' ASN . 0.0 OUTLIER -132.65 159.48 39.47 Favored 'General case' 0 C--N 1.319 -0.76 0 C-N-CA 120.539 -0.464 . . . . 1.75 111.639 -170.522 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 526' ' ' ASN . . . . . 0.415 ' HB2' ' O ' ' A' ' 525' ' ' CYS . 81.6 m-20 84.58 30.55 0.06 Allowed 'General case' 0 N--CA 1.47 0.554 0 O-C-N 124.768 1.293 . . . . 0.28 111.078 172.683 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 527' ' ' LEU . . . . . 0.403 ' HA ' ' HD3' ' A' ' 528' ' ' PRO . 84.5 mt -84.17 125.59 71.99 Favored Pre-proline 0 C--N 1.324 -0.502 0 CA-C-N 115.878 -0.601 . . . . 1.04 109.681 179.7 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 528' ' ' PRO . . . . . 0.403 ' HD3' ' HA ' ' A' ' 527' ' ' LEU . 3.1 Cg_exo -71.02 134.53 25.51 Favored 'Trans proline' 0 N--CA 1.458 -0.586 0 C-N-CA 121.558 1.505 . . . . 0.5 111.595 -178.136 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 529' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -66.63 138.35 57.38 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 109.449 -0.574 . . . . 1.6 109.449 176.832 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 530' ' ' GLY . . . . . . . . . . . . . . . 84.88 5.41 86.29 Favored Glycine 0 N--CA 1.445 -0.719 0 C-N-CA 119.995 -1.098 . . . . 0.52 110.721 -172.408 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 531' ' ' SER . . . . . . . . . . . . . 26.3 m -150.44 9.51 0.63 Allowed 'General case' 0 N--CA 1.452 -0.366 0 CA-C-O 121.13 0.491 . . . . 1.49 110.248 -175.635 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 532' ' ' CYS . . . . . . . . . . . . . 81.0 m -89.28 87.3 7.08 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 108.993 -0.743 . . . . 0.25 108.993 177.965 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 533' ' ' THR . . . . . 0.598 ' O ' HG23 ' A' ' 537' ' ' VAL . 82.8 p -104.32 149.04 25.7 Favored 'General case' 0 C--N 1.321 -0.66 0 C-N-CA 120.428 -0.509 . . . . 1.1 109.769 -179.809 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 534' ' ' GLU . . . . . 0.56 ' N ' HD12 ' A' ' 552' ' ' LEU . 38.5 mt-10 -67.86 -35.89 79.35 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.913 -0.585 . . . . 1.64 109.972 179.942 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 535' ' ' ASN . . . . . . . . . . . . . 58.7 t30 -59.92 -49.86 76.03 Favored 'General case' 0 C--O 1.217 -0.642 0 CA-C-N 114.915 -1.039 . . . . 1.86 110.937 -176.988 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 536' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -71.99 -40.73 68.35 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-O 121.152 0.501 . . . . 0.61 112.046 -172.64 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 537' ' ' VAL . . . . . 0.598 HG23 ' O ' ' A' ' 533' ' ' THR . 46.9 t -59.37 -48.09 88.31 Favored 'Isoleucine or valine' 0 C--O 1.244 0.807 0 CA-C-O 122.097 0.951 . . . . 1.03 109.651 178.757 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 538' ' ' ILE . . . . . 0.724 HD11 ' CG ' ' A' ' 550' ' ' TYR . 39.0 mt -67.93 -32.43 56.31 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.821 0 CA-C-N 115.157 -0.928 . . . . 1.06 111.203 174.986 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 539' ' ' ASN . . . . . 0.407 ' HA ' HD11 ' A' ' 615' ' ' ILE . 10.0 m120 -56.92 -28.48 62.08 Favored 'General case' 0 CA--C 1.514 -0.42 0 N-CA-C 110.13 -0.322 . . . . 0.25 110.13 176.815 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 540' ' ' LEU . . . . . 0.416 HD13 HD12 ' A' ' 588' ' ' LEU . 94.8 mt -76.11 -41.96 48.62 Favored 'General case' 0 N--CA 1.445 -0.691 0 C-N-CA 120.647 -0.421 . . . . 1.11 110.06 174.696 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 541' ' ' GLY . . . . . 0.463 ' HA3' HD22 ' A' ' 561' ' ' LEU . . . -66.51 -52.58 33.91 Favored Glycine 0 CA--C 1.525 0.665 0 N-CA-C 115.906 1.122 . . . . 0.19 115.906 -178.346 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 542' ' ' LEU . . . . . 0.55 ' HB2' ' CD1' ' A' ' 615' ' ' ILE . 45.2 mt -56.83 -43.64 99.45 Favored Pre-proline 0 C--N 1.32 -0.68 0 N-CA-C 114.945 1.461 . . . . 1.06 114.945 -168.329 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 543' ' ' PRO . . . . . 0.416 ' HD3' HD12 ' A' ' 615' ' ' ILE . 52.0 Cg_exo -59.38 -26.34 81.59 Favored 'Trans proline' 0 C--N 1.35 0.629 0 C-N-CA 121.993 1.796 . . . . 0.25 113.487 -177.891 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 544' ' ' PHE . . . . . 0.429 ' HB2' ' HE3' ' A' ' 572' ' ' MET . 94.7 m-85 -99.4 -13.98 19.34 Favored 'General case' 0 C--N 1.33 -0.25 0 O-C-N 122.145 -0.347 . . . . 0.38 111.386 178.24 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 545' ' ' GLY . . . . . 0.503 ' O ' ' HA ' ' A' ' 542' ' ' LEU . . . 176.24 155.84 14.01 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.41 -0.9 . . . . 0.44 112.799 -178.687 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 546' ' ' LYS . . . . . . . . . . . . . 86.9 tttt -65.73 127.34 31.56 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.142 0.496 . . . . 2.62 111.604 -179.681 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 547' ' ' VAL . . . . . 0.535 HG22 HG23 ' A' ' 538' ' ' ILE . 79.4 t -90.38 115.99 30.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 115.5 -0.773 . . . . 1.05 110.811 176.407 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 548' ' ' THR . . . . . . . . . . . . . 21.5 p -92.57 -35.08 13.76 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 112.191 0.441 . . . . 1.11 112.191 178.498 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 549' ' ' ASN . . . . . 0.455 ' OD1' HD11 ' A' ' 601' ' ' LEU . 90.4 m-20 -142.71 162.46 35.4 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.042 0.448 . . . . 1.49 110.991 179.332 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 550' ' ' TYR . . . . . 0.724 ' CG ' HD11 ' A' ' 538' ' ' ILE . 1.7 p90 -160.38 151.06 18.58 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.61 -0.723 . . . . 0.96 109.858 -179.976 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 551' ' ' ILE . . . . . 0.509 ' HB ' ' HB2' ' A' ' 560' ' ' PHE . 60.4 mt -144.2 127.23 11.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 N-CA-C 108.201 -1.036 . . . . 1.1 108.201 -178.234 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 552' ' ' LEU . . . . . 0.56 HD12 ' N ' ' A' ' 534' ' ' GLU . 27.9 mt -106.25 124.43 49.57 Favored 'General case' 0 C--N 1.31 -1.145 0 C-N-CA 119.932 -0.707 . . . . 1.17 110.312 179.279 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 553' ' ' MET . . . . . . . . . . . . . 30.1 mtp -104.63 80.37 1.66 Allowed 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 108.435 -0.95 . . . . 1.55 108.435 -179.88 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 554' ' ' LYS . . . . . . . . . . . . . 26.1 mmtp -53.92 -28.67 38.29 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 114.768 -1.106 . . . . 1.63 112.589 175.557 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 555' ' ' SER . . . . . . . . . . . . . 65.7 p -68.88 -44.85 72.41 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 111.755 0.279 . . . . 0.7 111.755 -174.099 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 556' ' ' THR . . . . . . . . . . . . . 44.4 p -104.78 8.67 34.99 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 112.809 0.67 . . . . 1.14 112.809 -174.166 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 557' ' ' ASN . . . . . . . . . . . . . 18.5 m120 59.94 40.61 18.77 Favored 'General case' 0 N--CA 1.469 0.518 0 CA-C-O 121.597 0.713 . . . . 2.03 110.25 -176.355 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 558' ' ' GLN . . . . . . . . . . . . . 77.1 mt-30 -135.45 167.82 20.37 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.091 -0.959 . . . . 1.24 109.412 -175.644 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 559' ' ' ALA . . . . . . . . . . . . . . . -159.14 165.66 33.25 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.115 0.483 . . . . 1.04 111.776 176.462 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 560' ' ' PHE . . . . . 0.509 ' HB2' ' HB ' ' A' ' 551' ' ' ILE . 91.7 m-85 -119.89 148.51 43.4 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.589 -0.732 . . . . 0.46 110.875 176.53 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 561' ' ' LEU . . . . . 0.505 ' O ' ' HB ' ' A' ' 522' ' ' VAL . 50.6 tp -137.8 119.58 15.2 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.348 -0.842 . . . . 1.06 110.0 179.809 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 562' ' ' GLU . . . . . 0.492 ' HB2' HD11 ' A' ' 599' ' ' LEU . 30.4 tt0 -99.13 128.08 45.2 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.343 0.592 . . . . 2.09 110.421 179.598 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 563' ' ' MET . . . . . 0.711 ' SD ' ' HA ' ' A' ' 569' ' ' ALA . 36.6 mtt -112.93 152.25 29.56 Favored 'General case' 0 C--N 1.316 -0.864 0 CA-C-N 115.216 -0.902 . . . . 1.06 109.234 -176.684 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 564' ' ' ALA . . . . . . . . . . . . . . . -73.76 -16.64 61.16 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.044 -0.525 . . . . 1.25 111.971 -170.423 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 565' ' ' TYR . . . . . 0.431 ' CB ' ' HG2' ' A' ' 567' ' ' GLU . 72.7 m-85 -143.41 148.05 35.56 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 109.883 -0.414 . . . . 1.39 109.883 -178.797 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 566' ' ' THR . . . . . . . . . . . . . 14.5 t -67.58 -27.38 66.88 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.175 -0.466 . . . . 1.24 110.197 179.147 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 567' ' ' GLU . . . . . 0.431 ' HG2' ' CB ' ' A' ' 565' ' ' TYR . 11.4 pt-20 -58.83 -32.7 69.63 Favored 'General case' 0 CA--C 1.526 0.052 0 CA-C-N 115.737 -0.665 . . . . 0.89 110.704 175.855 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 568' ' ' ALA . . . . . 0.676 ' O ' ' HG3' ' A' ' 572' ' ' MET . . . -74.01 -42.97 59.55 Favored 'General case' 0 N--CA 1.448 -0.528 0 CA-C-N 115.839 -0.619 . . . . 1.08 109.84 -177.866 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 569' ' ' ALA . . . . . 0.711 ' HA ' ' SD ' ' A' ' 563' ' ' MET . . . -62.74 -46.04 89.91 Favored 'General case' 0 N--CA 1.45 -0.459 0 CA-C-N 115.546 -0.752 . . . . 1.0 111.449 -176.135 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 570' ' ' GLN . . . . . 0.464 ' O ' ' HG2' ' A' ' 574' ' ' GLN . 13.5 pt20 -69.12 -36.67 77.75 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.387 -0.37 . . . . 1.72 110.644 -178.012 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 571' ' ' ALA . . . . . . . . . . . . . . . -64.01 -44.16 93.45 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.197 -0.456 . . . . 1.08 111.266 -178.665 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 572' ' ' MET . . . . . 0.676 ' HG3' ' O ' ' A' ' 568' ' ' ALA . 24.7 mtt -68.5 -40.92 80.69 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.356 -0.384 . . . . 1.05 110.291 -179.375 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 573' ' ' VAL . . . . . 0.606 ' O ' ' HG2' ' A' ' 577' ' ' GLN . 85.9 t -59.65 -48.3 87.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 N-CA-C 110.104 -0.332 . . . . 1.08 110.104 178.066 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 574' ' ' GLN . . . . . 0.464 ' HG2' ' O ' ' A' ' 570' ' ' GLN . 12.9 mm-40 -61.63 -37.32 83.55 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.846 0.355 . . . . 2.79 111.056 -179.257 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 575' ' ' TYR . . . . . . . . . . . . . 82.2 t80 -67.98 -51.7 44.28 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.005 -0.543 . . . . 1.09 110.167 -178.617 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 576' ' ' TYR . . . . . 0.523 ' CE1' ' HB1' ' A' ' 581' ' ' ALA . 58.6 m-85 -76.38 -13.88 60.11 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 112.603 0.594 . . . . 1.03 112.603 -176.636 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 577' ' ' GLN . . . . . 0.606 ' HG2' ' O ' ' A' ' 573' ' ' VAL . 17.4 mm-40 -64.33 -44.03 92.79 Favored 'General case' 0 C--N 1.332 -0.18 0 N-CA-C 109.268 -0.641 . . . . 2.14 109.268 171.024 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 578' ' ' GLU . . . . . . . . . . . . . 14.3 mm-40 -89.37 -38.69 13.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.453 -0.794 . . . . 2.14 111.614 -179.941 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 579' ' ' LYS . . . . . 0.517 ' O ' ' HA ' ' A' ' 576' ' ' TYR . 63.3 mttp -131.02 90.55 39.01 Favored Pre-proline 0 C--N 1.325 -0.498 0 N-CA-C 110.164 -0.31 . . . . 2.95 110.164 178.835 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 580' ' ' PRO . . . . . . . . . . . . . 38.9 Cg_endo -66.63 160.97 43.63 Favored 'Trans proline' 0 C--O 1.234 0.292 0 C-N-CA 122.735 2.29 . . . . 0.51 112.419 -178.634 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 581' ' ' ALA . . . . . 0.523 ' HB1' ' CE1' ' A' ' 576' ' ' TYR . . . -91.01 137.13 32.6 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.183 -0.462 . . . . 1.09 109.919 179.431 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 582' ' ' ILE . . . . . . . . . . . . . 34.9 mt -106.28 119.65 56.03 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 CA-C-O 120.909 0.385 . . . . 1.19 111.906 -173.714 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 583' ' ' ILE . . . . . . . . . . . . . 29.1 mm -124.69 112.37 31.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 115.717 -0.674 . . . . 1.21 109.547 172.112 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 584' ' ' ASN . . . . . . . . . . . . . 95.0 m-20 54.64 41.06 32.19 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 121.645 0.736 . . . . 1.34 110.545 -179.922 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 585' ' ' GLY . . . . . . . . . . . . . . . 81.85 2.02 90.42 Favored Glycine 0 N--CA 1.446 -0.66 0 CA-C-N 114.854 -1.066 . . . . 0.51 113.92 176.174 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 586' ' ' GLU . . . . . . . . . . . . . 51.3 mm-40 -99.74 126.27 45.77 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 117.481 0.641 . . . . 1.79 110.856 -179.665 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 587' ' ' LYS . . . . . . . . . . . . . 72.5 mmtt -75.26 110.24 9.44 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.321 -0.854 . . . . 2.25 110.223 175.544 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 588' ' ' LEU . . . . . 0.416 HD12 HD13 ' A' ' 540' ' ' LEU . 63.0 mt -81.5 137.03 35.63 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 121.028 0.442 . . . . 1.03 110.587 -179.013 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 589' ' ' LEU . . . . . . . . . . . . . 43.8 tp -112.7 112.08 23.34 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.709 -0.678 . . . . 1.13 110.709 -177.93 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 590' ' ' ILE . . . . . 0.512 HD11 ' CE2' ' A' ' 576' ' ' TYR . 15.8 mt -101.84 121.04 52.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 N-CA-C 110.094 -0.336 . . . . 1.08 110.094 176.769 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 591' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -147.57 165.16 31.19 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.82 0.343 . . . . 3.18 110.667 -177.818 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 592' ' ' MET . . . . . . . . . . . . . 60.8 mtt -82.29 139.01 34.42 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.135 -0.484 . . . . 1.13 109.789 -179.956 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 593' ' ' SER . . . . . . . . . . . . . 38.3 m -85.02 139.78 31.51 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.32 0.581 . . . . 1.65 111.912 -176.54 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 594' ' ' THR . . . . . . . . . . . . . 18.4 p -91.66 -15.47 28.46 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 114.658 -1.155 . . . . 1.14 112.603 -175.54 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 595' ' ' ARG . . . . . . . . . . . . . 68.9 mtp180 -103.57 -28.03 11.98 Favored 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 120.551 -0.46 . . . . 3.37 112.138 -172.117 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 596' ' ' TYR . . . . . . . . . . . . . 50.8 m-85 -118.25 150.23 39.8 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.164 0.507 . . . . 1.15 111.576 -178.951 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 597' ' ' LYS . . . . . 0.456 ' C ' HG23 ' A' ' 521' ' ' VAL . 7.6 mtmm -107.64 -26.18 10.98 Favored 'General case' 0 C--O 1.219 -0.502 0 CA-C-N 115.369 -0.832 . . . . 2.63 111.305 -178.314 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 598' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -142.65 150.77 40.66 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.87 0.367 . . . . 0.95 110.695 -179.926 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 599' ' ' LEU . . . . . 0.492 HD11 ' HB2' ' A' ' 562' ' ' GLU . 63.4 mt -95.33 124.19 39.24 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.698 -0.683 . . . . 1.18 111.628 179.816 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 600' ' ' GLN . . . . . . . . . . . . . 20.6 tt0 -103.06 124.19 48.06 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 114.906 -1.043 . . . . 1.65 110.651 -179.827 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 601' ' ' LEU . . . . . 0.455 HD11 ' OD1' ' A' ' 549' ' ' ASN . 86.7 mt -82.49 94.88 7.55 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.587 -0.279 . . . . 1.23 111.028 178.428 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 602' ' ' LYS . . . . . . . . . . . . . 50.0 mtmt -79.36 -18.91 51.48 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 109.124 -0.695 . . . . 2.22 109.124 169.818 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 603' ' ' LYS . . . . . . . . . . . . . 34.9 mmtp . . . . . 0 C--N 1.325 -0.487 0 CA-C-N 115.02 -0.991 . . . . 2.26 108.608 174.254 . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' A' A ' 607' ' ' ASN . . . . . . . . . . . . . 42.1 t30 . . . . . 0 C--O 1.232 0.155 0 CA-C-O 121.025 0.441 . . . . 1.8 110.327 . . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' A' A ' 608' ' ' VAL . . . . . 0.505 HG11 ' HB ' ' A' ' 547' ' ' VAL . 57.7 t -85.0 -19.91 8.56 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.587 0 CA-C-N 115.846 -0.615 . . . . 1.07 110.551 -176.69 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 609' ' ' ALA . . . . . . . . . . . . . . . -61.69 -31.66 71.81 Favored 'General case' 0 C--O 1.24 0.556 0 CA-C-O 121.455 0.645 . . . . 1.27 110.999 175.523 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 610' ' ' ALA . . . . . . . . . . . . . . . -63.63 -30.01 71.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.685 -0.688 . . . . 1.14 109.816 176.603 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 611' ' ' ILE . . . . . 0.455 ' CD1' HD13 ' A' ' 538' ' ' ILE . 77.5 mt -70.67 -30.69 43.34 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.349 0 CA-C-N 115.325 -0.852 . . . . 1.03 109.851 178.8 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 612' ' ' ILE . . . . . 0.447 ' CG1' HD12 ' A' ' 542' ' ' LEU . 76.0 mt -59.76 -42.71 89.7 Favored 'Isoleucine or valine' 0 C--O 1.235 0.323 0 N-CA-C 109.715 -0.476 . . . . 1.11 109.715 173.558 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 613' ' ' GLN . . . . . 0.464 ' HA ' ' OE1' ' A' ' 613' ' ' GLN . 15.1 mm-40 -65.4 -31.01 71.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.703 -0.681 . . . . 3.02 110.824 176.433 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 614' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -67.71 -43.96 78.82 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.185 -0.461 . . . . 1.95 110.759 177.441 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 615' ' ' ILE . . . . . 0.55 ' CD1' ' HB2' ' A' ' 542' ' ' LEU . 87.1 mt -60.36 -48.92 86.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-O 121.082 0.467 . . . . 1.08 110.683 179.474 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 616' ' ' HIS . . . . . . . . . . . . . 10.6 m-70 -66.24 -26.74 67.5 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.827 -0.624 . . . . 1.73 111.324 179.903 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 617' ' ' SER . . . . . . . . . . . . . 36.7 t . . . . . 0 C--N 1.327 -0.37 0 CA-C-O 120.942 0.401 . . . . 1.77 110.447 176.468 . . . . . . . . 0 0 . 1 . 023 nuclear orig core ' A' A ' 520' ' ' ARG . . . . . . . . . . . . . 37.8 mtm-85 . . . . . 0 N--CA 1.453 -0.289 0 CA-C-O 121.137 0.494 . . . . 2.86 111.068 . . . . . . . . . 0 0 . 1 . 023 nuclear orig core ' A' A ' 521' ' ' VAL . . . . . 0.51 HG13 HD23 ' A' ' 599' ' ' LEU . 89.3 t -117.58 123.31 71.57 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-N 115.632 -0.713 . . . . 1.14 110.876 170.983 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 522' ' ' VAL . . . . . 0.541 ' HB ' ' O ' ' A' ' 561' ' ' LEU . 22.4 t -120.07 122.49 68.57 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.747 0 N-CA-C 107.81 -1.182 . . . . 1.05 107.81 175.228 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 523' ' ' HIS . . . . . . . . . . . . . 43.2 t-80 -105.45 133.33 50.38 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.21 0.528 . . . . 0.57 111.119 -171.791 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 524' ' ' ILE . . . . . 0.416 HG12 HG12 ' A' ' 590' ' ' ILE . 29.9 mt -113.62 141.91 27.97 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.762 0 CA-C-N 115.376 -0.829 . . . . 1.06 108.812 177.735 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 525' ' ' CYS . . . . . 0.541 ' SG ' ' HB3' ' A' ' 589' ' ' LEU . 1.8 p -141.66 164.03 31.31 Favored 'General case' 0 C--N 1.316 -0.874 0 C-N-CA 120.618 -0.433 . . . . 1.75 111.652 -178.47 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 526' ' ' ASN . . . . . 0.455 ' HB2' ' O ' ' A' ' 525' ' ' CYS . 86.7 m-20 88.39 28.95 0.03 OUTLIER 'General case' 0 N--CA 1.471 0.594 0 O-C-N 125.045 1.466 . . . . 0.28 110.552 177.253 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 527' ' ' LEU . . . . . . . . . . . . . 78.7 mt -90.46 124.64 62.2 Favored Pre-proline 0 C--N 1.322 -0.6 0 N-CA-C 108.771 -0.826 . . . . 1.04 108.771 176.553 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 528' ' ' PRO . . . . . . . . . . . . . 5.6 Cg_exo -71.28 133.54 23.01 Favored 'Trans proline' 0 N--CA 1.455 -0.762 0 C-N-CA 121.298 1.332 . . . . 0.5 111.174 -177.267 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 529' ' ' GLU . . . . . . . . . . . . . 45.4 tt0 -66.31 129.74 40.85 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 109.814 -0.439 . . . . 1.6 109.814 177.39 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 530' ' ' GLY . . . . . . . . . . . . . . . 92.01 2.58 68.83 Favored Glycine 0 N--CA 1.447 -0.572 0 N-CA-C 110.397 -1.081 . . . . 0.52 110.397 -171.765 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 531' ' ' SER . . . . . . . . . . . . . 16.1 m -143.36 8.46 1.59 Allowed 'General case' 0 N--CA 1.45 -0.439 0 CA-C-N 115.16 -0.52 . . . . 1.49 109.914 -177.905 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 532' ' ' CYS . . . . . . . . . . . . . 60.8 m -89.79 91.18 8.52 Favored 'General case' 0 CA--C 1.516 -0.345 0 N-CA-C 108.963 -0.754 . . . . 0.25 108.963 179.786 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 533' ' ' THR . . . . . 0.536 ' O ' HG21 ' A' ' 537' ' ' VAL . 68.4 p -101.01 148.73 24.7 Favored 'General case' 0 C--N 1.318 -0.777 0 C-N-CA 120.369 -0.532 . . . . 1.1 110.063 -178.018 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 534' ' ' GLU . . . . . 0.441 ' HA ' HD13 ' A' ' 552' ' ' LEU . 44.9 mt-10 -68.65 -36.04 78.05 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.845 -0.616 . . . . 1.64 110.386 -178.008 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 535' ' ' ASN . . . . . 0.435 ' OD1' HG22 ' A' ' 611' ' ' ILE . 60.7 t30 -64.99 -49.24 71.04 Favored 'General case' 0 C--O 1.216 -0.706 0 CA-C-N 114.987 -1.006 . . . . 1.86 111.206 -174.877 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 536' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -71.23 -39.81 71.46 Favored 'General case' 0 N--CA 1.47 0.556 0 CA-C-O 121.198 0.523 . . . . 0.61 111.59 -170.414 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 537' ' ' VAL . . . . . 0.536 HG21 ' O ' ' A' ' 533' ' ' THR . 49.2 t -59.12 -48.09 87.94 Favored 'Isoleucine or valine' 0 C--O 1.241 0.634 0 CA-C-N 115.294 -0.866 . . . . 1.03 109.531 178.064 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 538' ' ' ILE . . . . . 0.677 HD11 ' CG ' ' A' ' 550' ' ' TYR . 23.7 mt -68.76 -32.86 56.62 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 CA-C-N 115.378 -0.828 . . . . 1.06 111.804 175.241 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 539' ' ' ASN . . . . . 0.407 ' HA ' HD11 ' A' ' 615' ' ' ILE . 13.1 m120 -57.63 -27.83 63.14 Favored 'General case' 0 N--CA 1.466 0.369 0 N-CA-C 110.314 -0.254 . . . . 0.25 110.314 177.794 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 540' ' ' LEU . . . . . 0.655 ' HB3' ' HH ' ' A' ' 576' ' ' TYR . 94.5 mt -76.65 -42.39 42.15 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 120.926 0.393 . . . . 1.11 110.012 173.679 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 541' ' ' GLY . . . . . 0.499 ' HA2' ' SD ' ' A' ' 572' ' ' MET . . . -64.94 -52.64 40.02 Favored Glycine 0 CA--C 1.522 0.502 0 N-CA-C 115.475 0.95 . . . . 0.19 115.475 -178.678 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 542' ' ' LEU . . . . . 0.473 ' HB2' ' CD1' ' A' ' 615' ' ' ILE . 35.7 mt -56.37 -44.65 99.82 Favored Pre-proline 0 CA--C 1.54 0.576 0 N-CA-C 114.796 1.406 . . . . 1.06 114.796 -169.392 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 543' ' ' PRO . . . . . . . . . . . . . 35.6 Cg_exo -61.38 -27.03 82.24 Favored 'Trans proline' 0 C--N 1.348 0.542 0 C-N-CA 122.041 1.827 . . . . 0.25 113.689 -177.641 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 544' ' ' PHE . . . . . 0.454 ' HB2' ' HE1' ' A' ' 572' ' ' MET . 97.0 m-85 -98.4 -8.94 26.0 Favored 'General case' 0 C--N 1.33 -0.254 0 O-C-N 122.21 -0.306 . . . . 0.38 111.193 178.769 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 545' ' ' GLY . . . . . 0.424 ' O ' ' HA ' ' A' ' 542' ' ' LEU . . . 168.79 152.12 7.55 Favored Glycine 0 N--CA 1.448 -0.527 0 C-N-CA 120.819 -0.705 . . . . 0.44 111.945 -178.064 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 546' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -66.35 130.87 44.67 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-O 121.156 0.503 . . . . 2.62 111.618 -177.778 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 547' ' ' VAL . . . . . 0.504 HG23 HG22 ' A' ' 538' ' ' ILE . 80.2 t -90.42 116.74 32.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 115.562 -0.745 . . . . 1.05 110.684 177.674 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 548' ' ' THR . . . . . . . . . . . . . 21.2 p -94.94 -35.29 12.06 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.098 -0.501 . . . . 1.11 111.923 177.392 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 549' ' ' ASN . . . . . 0.426 ' HB2' ' HB3' ' A' ' 562' ' ' GLU . 16.1 m120 -144.4 157.95 43.99 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.852 0.358 . . . . 1.49 110.965 -179.782 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 550' ' ' TYR . . . . . 0.677 ' CG ' HD11 ' A' ' 538' ' ' ILE . 3.3 p90 -162.04 152.7 17.46 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.864 -0.607 . . . . 0.96 109.707 -178.092 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 551' ' ' ILE . . . . . 0.48 ' HB ' ' HB2' ' A' ' 560' ' ' PHE . 64.8 mt -143.64 129.73 16.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 N-CA-C 108.621 -0.881 . . . . 1.1 108.621 -178.299 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 552' ' ' LEU . . . . . 0.441 HD13 ' HA ' ' A' ' 534' ' ' GLU . 22.9 mt -107.13 118.75 37.53 Favored 'General case' 0 C--N 1.315 -0.896 0 C-N-CA 120.475 -0.49 . . . . 1.17 110.317 179.904 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 553' ' ' MET . . . . . . . . . . . . . 63.8 mtm -108.87 82.29 1.58 Allowed 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 122.029 0.919 . . . . 1.55 109.193 -179.01 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 554' ' ' LYS . . . . . . . . . . . . . 12.0 mmtp -52.96 -27.84 20.86 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 113.828 -1.533 . . . . 1.63 112.622 176.375 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 555' ' ' SER . . . . . . . . . . . . . 63.9 p -69.21 -46.0 68.48 Favored 'General case' 0 N--CA 1.448 -0.554 0 CA-C-O 120.84 0.352 . . . . 0.7 111.259 -173.888 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 556' ' ' THR . . . . . . . . . . . . . 44.8 p -99.68 8.32 44.44 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 112.425 0.528 . . . . 1.14 112.425 -175.647 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 557' ' ' ASN . . . . . . . . . . . . . 4.7 m-20 59.8 39.91 20.12 Favored 'General case' 0 N--CA 1.468 0.44 0 CA-C-O 121.863 0.839 . . . . 2.03 110.11 -178.085 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 558' ' ' GLN . . . . . . . . . . . . . 27.1 mt-30 -142.02 168.05 20.67 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.024 -0.989 . . . . 1.24 110.363 -174.274 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 559' ' ' ALA . . . . . . . . . . . . . . . -157.65 165.99 34.02 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.151 0.5 . . . . 1.04 111.412 -179.376 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 560' ' ' PHE . . . . . 0.48 ' HB2' ' HB ' ' A' ' 551' ' ' ILE . 79.5 m-85 -119.56 149.47 41.87 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.825 -0.625 . . . . 0.46 110.663 177.955 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 561' ' ' LEU . . . . . 0.541 ' O ' ' HB ' ' A' ' 522' ' ' VAL . 54.1 tp -141.08 119.1 11.9 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.782 -0.645 . . . . 1.06 110.261 -179.759 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 562' ' ' GLU . . . . . 0.492 ' HB2' HD11 ' A' ' 599' ' ' LEU . 32.0 tt0 -100.38 123.33 44.46 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.474 0.654 . . . . 2.09 110.158 176.667 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 563' ' ' MET . . . . . 0.796 ' SD ' ' HA ' ' A' ' 569' ' ' ALA . 22.5 mtt -107.21 148.57 28.75 Favored 'General case' 0 C--N 1.315 -0.921 0 CA-C-N 114.84 -1.073 . . . . 1.06 108.775 -178.659 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 564' ' ' ALA . . . . . . . . . . . . . . . -59.99 -26.13 65.8 Favored 'General case' 0 N--CA 1.463 0.195 0 N-CA-C 112.966 0.728 . . . . 1.25 112.966 -168.307 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 565' ' ' TYR . . . . . . . . . . . . . 84.8 m-85 -143.19 160.92 39.55 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 110.401 -0.222 . . . . 1.39 110.401 179.19 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 566' ' ' THR . . . . . . . . . . . . . 7.4 t -68.11 -27.07 66.15 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.43 -0.35 . . . . 1.24 110.251 -179.465 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 567' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -59.38 -33.07 70.74 Favored 'General case' 0 C--N 1.334 -0.106 0 CA-C-N 115.846 -0.616 . . . . 0.89 110.825 178.07 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 568' ' ' ALA . . . . . 0.66 ' O ' ' HG3' ' A' ' 572' ' ' MET . . . -73.76 -41.7 62.1 Favored 'General case' 0 N--CA 1.449 -0.478 0 CA-C-N 115.893 -0.594 . . . . 1.08 109.788 179.963 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 569' ' ' ALA . . . . . 0.796 ' HA ' ' SD ' ' A' ' 563' ' ' MET . . . -63.53 -45.78 89.01 Favored 'General case' 0 CA--C 1.518 -0.286 0 CA-C-N 115.619 -0.719 . . . . 1.0 111.493 -176.299 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 570' ' ' GLN . . . . . . . . . . . . . 18.6 pt20 -68.34 -36.85 79.87 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.141 -0.481 . . . . 1.72 110.695 -178.276 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 571' ' ' ALA . . . . . . . . . . . . . . . -64.05 -43.2 96.26 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.24 -0.436 . . . . 1.08 111.15 -178.949 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 572' ' ' MET . . . . . 0.66 ' HG3' ' O ' ' A' ' 568' ' ' ALA . 23.5 mtt -70.39 -43.32 70.32 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.479 -0.328 . . . . 1.05 111.097 -179.493 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 573' ' ' VAL . . . . . 0.546 HG22 ' O ' ' A' ' 569' ' ' ALA . 77.8 t -60.05 -47.76 90.59 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.169 0 CA-C-O 120.846 0.355 . . . . 1.08 110.53 -179.341 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 574' ' ' GLN . . . . . . . . . . . . . 78.3 mm-40 -64.59 -35.55 81.37 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.267 -0.424 . . . . 2.79 110.715 179.31 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 575' ' ' TYR . . . . . . . . . . . . . 70.8 t80 -67.82 -52.02 41.83 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.192 -0.458 . . . . 1.09 110.794 -179.011 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 576' ' ' TYR . . . . . 0.655 ' HH ' ' HB3' ' A' ' 540' ' ' LEU . 57.7 m-85 -76.83 -14.22 59.92 Favored 'General case' 0 N--CA 1.466 0.342 0 N-CA-C 113.41 0.893 . . . . 1.03 113.41 -175.833 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 577' ' ' GLN . . . . . 0.45 ' HG3' ' O ' ' A' ' 573' ' ' VAL . 25.3 mt-30 -72.73 -38.12 67.54 Favored 'General case' 0 C--N 1.319 -0.726 0 C-N-CA 119.793 -0.763 . . . . 2.14 109.744 172.341 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 578' ' ' GLU . . . . . . . . . . . . . 11.3 mm-40 -86.71 -38.18 17.22 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.944 -0.571 . . . . 2.14 110.943 177.424 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 579' ' ' LYS . . . . . 0.516 ' O ' ' HA ' ' A' ' 576' ' ' TYR . 96.1 mttt -132.83 89.73 34.07 Favored Pre-proline 0 C--N 1.327 -0.377 0 N-CA-C 109.99 -0.374 . . . . 2.95 109.99 177.693 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 580' ' ' PRO . . . . . . . . . . . . . 37.6 Cg_endo -66.0 159.28 49.99 Favored 'Trans proline' 0 C--O 1.234 0.315 0 C-N-CA 122.507 2.138 . . . . 0.51 112.681 -176.601 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 581' ' ' ALA . . . . . 0.597 ' HB2' ' CE1' ' A' ' 576' ' ' TYR . . . -91.82 136.04 33.45 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.017 -0.538 . . . . 1.09 110.124 179.398 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 582' ' ' ILE . . . . . . . . . . . . . 54.2 mt -99.36 120.75 49.14 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.681 0 CA-C-O 120.835 0.35 . . . . 1.19 111.841 -175.258 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 583' ' ' ILE . . . . . 0.42 HG13 HD13 ' A' ' 588' ' ' LEU . 28.6 mm -125.15 111.26 27.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-N 116.02 -0.536 . . . . 1.21 109.931 171.429 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 584' ' ' ASN . . . . . . . . . . . . . 3.5 m-20 56.83 36.05 27.16 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.448 0.642 . . . . 1.34 110.889 176.076 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 585' ' ' GLY . . . . . . . . . . . . . . . 86.09 0.03 87.29 Favored Glycine 0 N--CA 1.448 -0.529 0 CA-C-N 115.231 -0.895 . . . . 0.51 113.589 179.989 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 586' ' ' GLU . . . . . . . . . . . . . 51.0 mm-40 -100.94 126.16 47.57 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 117.256 0.528 . . . . 1.79 110.984 179.926 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 587' ' ' LYS . . . . . . . . . . . . . 46.9 mmtm -77.32 111.21 12.74 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.578 -0.737 . . . . 2.25 110.719 175.115 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 588' ' ' LEU . . . . . 0.42 HD13 HG13 ' A' ' 583' ' ' ILE . 31.1 mt -75.71 141.54 42.65 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.154 0.502 . . . . 1.03 111.169 -178.261 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 589' ' ' LEU . . . . . 0.541 ' HB3' ' SG ' ' A' ' 525' ' ' CYS . 60.4 tp -112.4 111.55 22.48 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.413 -0.812 . . . . 1.13 110.009 176.049 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 590' ' ' ILE . . . . . 0.477 HD13 ' CD2' ' A' ' 576' ' ' TYR . 17.1 mt -103.28 118.98 51.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 N-CA-C 109.66 -0.496 . . . . 1.08 109.66 175.659 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 591' ' ' ARG . . . . . . . . . . . . . 50.9 mtp180 -144.23 165.99 26.31 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.424 -0.353 . . . . 3.18 110.543 -177.345 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 592' ' ' MET . . . . . . . . . . . . . 56.2 mtt -81.06 140.89 34.84 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.36 -0.382 . . . . 1.13 110.25 -179.28 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 593' ' ' SER . . . . . . . . . . . . . 40.5 t -84.58 132.77 34.47 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.517 0.675 . . . . 1.65 111.41 -176.018 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 594' ' ' THR . . . . . . . . . . . . . 19.5 p -90.88 -12.76 35.21 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-N 114.279 -1.328 . . . . 1.14 111.252 178.293 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 595' ' ' ARG . . . . . . . . . . . . . 60.2 mtp180 -101.22 -29.58 12.02 Favored 'General case' 0 C--N 1.332 -0.169 0 N-CA-C 112.839 0.681 . . . . 3.37 112.839 -170.662 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 596' ' ' TYR . . . . . 0.425 ' C ' ' HD2' ' A' ' 597' ' ' LYS . 70.0 m-85 -123.79 151.81 42.92 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.218 0.532 . . . . 1.15 112.248 -176.204 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 597' ' ' LYS . . . . . 0.567 ' N ' ' HD2' ' A' ' 597' ' ' LYS . 0.1 OUTLIER -109.26 -22.03 12.27 Favored 'General case' 0 C--O 1.223 -0.291 0 CA-C-N 115.137 -0.938 . . . . 2.63 111.679 -177.698 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 598' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -147.13 150.51 35.12 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.013 0.435 . . . . 0.95 111.195 179.749 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 599' ' ' LEU . . . . . 0.51 HD23 HG13 ' A' ' 521' ' ' VAL . 70.6 mt -104.23 127.41 51.85 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.52 -0.764 . . . . 1.18 111.436 177.674 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 600' ' ' GLN . . . . . 0.429 ' NE2' ' HD3' ' A' ' 602' ' ' LYS . 18.3 tt0 -113.76 133.53 55.32 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.119 -0.946 . . . . 1.65 110.143 179.123 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 601' ' ' LEU . . . . . 0.401 ' HG ' HD21 ' A' ' 549' ' ' ASN . 53.1 mt -88.46 96.23 10.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.095 0.474 . . . . 1.23 111.464 -178.951 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 602' ' ' LYS . . . . . 0.429 ' HD3' ' NE2' ' A' ' 600' ' ' GLN . 14.2 mmmm -80.93 -10.95 59.66 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.999 -0.546 . . . . 2.22 110.376 174.717 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 603' ' ' LYS . . . . . . . . . . . . . 30.5 mmtp . . . . . 0 C--N 1.326 -0.455 0 CA-C-N 115.613 -0.721 . . . . 2.26 109.71 -179.203 . . . . . . . . 0 0 . 1 . 023 nuclear orig core ' A' A ' 607' ' ' ASN . . . . . . . . . . . . . 27.6 t30 . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.94 0.4 . . . . 1.8 110.707 . . . . . . . . . 0 0 . 1 . 023 nuclear orig core ' A' A ' 608' ' ' VAL . . . . . 0.497 HG12 ' HB ' ' A' ' 547' ' ' VAL . 60.8 t -72.91 -22.91 20.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-N 115.815 -0.63 . . . . 1.07 111.079 -175.777 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 609' ' ' ALA . . . . . . . . . . . . . . . -65.9 -36.09 82.43 Favored 'General case' 0 C--O 1.239 0.545 0 CA-C-O 121.39 0.614 . . . . 1.27 110.466 176.031 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 610' ' ' ALA . . . . . . . . . . . . . . . -64.21 -29.68 70.77 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.7 -0.682 . . . . 1.14 109.926 176.258 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 611' ' ' ILE . . . . . 0.524 ' CD1' HD13 ' A' ' 538' ' ' ILE . 64.7 mt -69.22 -32.9 55.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-N 115.481 -0.781 . . . . 1.03 109.874 179.663 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 612' ' ' ILE . . . . . 0.407 HG12 HD11 ' A' ' 542' ' ' LEU . 61.9 mt -60.23 -42.19 89.5 Favored 'Isoleucine or valine' 0 C--O 1.232 0.179 0 CA-C-O 121.234 0.54 . . . . 1.11 109.6 173.528 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 613' ' ' GLN . . . . . . . . . . . . . 16.4 mt-30 -62.63 -38.65 91.05 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.577 -0.738 . . . . 3.02 109.857 177.629 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 614' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -65.37 -42.57 92.58 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 114.829 -1.078 . . . . 1.95 110.851 179.591 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 615' ' ' ILE . . . . . 0.484 HG13 ' O ' ' A' ' 611' ' ' ILE . 82.7 mt -60.46 -41.6 88.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.462 -0.336 . . . . 1.08 110.829 178.492 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 616' ' ' HIS . . . . . . . . . . . . . 60.7 m-70 -65.33 -28.38 69.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.453 -0.339 . . . . 1.73 110.96 179.211 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 617' ' ' SER . . . . . . . . . . . . . 20.0 m . . . . . 0 C--N 1.328 -0.341 0 CA-C-O 121.084 0.468 . . . . 1.77 110.477 174.929 . . . . . . . . 0 0 . 1 . 024 nuclear orig core ' A' A ' 520' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.449 -0.513 0 CA-C-O 121.184 0.516 . . . . 2.86 110.233 . . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 521' ' ' VAL . . . . . 0.65 ' HB ' ' OG ' ' A' ' 593' ' ' SER . 57.4 t -117.53 124.32 72.9 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.01 0 CA-C-N 115.736 -0.666 . . . . 1.14 109.939 168.77 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 522' ' ' VAL . . . . . 0.433 HG12 ' CE ' ' A' ' 563' ' ' MET . 25.4 t -119.79 122.92 69.9 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.04 0 N-CA-C 106.922 -1.51 . . . . 1.05 106.922 174.302 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 523' ' ' HIS . . . . . . . . . . . . . 59.0 t-80 -103.85 133.4 48.89 Favored 'General case' 0 C--N 1.318 -0.787 0 O-C-N 121.722 -0.611 . . . . 0.57 110.417 -169.687 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 524' ' ' ILE . . . . . 0.44 HG12 HG12 ' A' ' 590' ' ' ILE . 29.5 mt -111.07 136.54 46.81 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.834 0 CA-C-N 115.297 -0.865 . . . . 1.06 109.101 -179.328 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 525' ' ' CYS . . . . . 0.45 ' O ' ' HB2' ' A' ' 526' ' ' ASN . 42.4 t -133.71 160.28 38.02 Favored 'General case' 0 C--N 1.315 -0.913 0 C-N-CA 121.13 -0.228 . . . . 1.75 110.797 -175.06 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 526' ' ' ASN . . . . . 0.45 ' HB2' ' O ' ' A' ' 525' ' ' CYS . 77.2 m-20 86.9 28.83 0.04 OUTLIER 'General case' 0 N--CA 1.469 0.49 0 O-C-N 124.674 1.234 . . . . 0.28 110.674 173.506 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 527' ' ' LEU . . . . . 0.451 ' HB3' ' SG ' ' A' ' 532' ' ' CYS . 82.1 mt -84.98 124.85 71.91 Favored Pre-proline 0 C--N 1.325 -0.489 0 N-CA-C 109.296 -0.631 . . . . 1.04 109.296 178.118 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 528' ' ' PRO . . . . . 0.404 ' HD3' ' HA ' ' A' ' 527' ' ' LEU . 12.2 Cg_exo -68.8 134.57 30.43 Favored 'Trans proline' 0 N--CA 1.461 -0.407 0 C-N-CA 121.861 1.707 . . . . 0.5 111.786 -178.692 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 529' ' ' GLU . . . . . . . . . . . . . 28.1 tt0 -65.79 136.4 56.15 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 109.454 -0.573 . . . . 1.6 109.454 178.602 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 530' ' ' GLY . . . . . . . . . . . . . . . 86.83 4.39 82.43 Favored Glycine 0 N--CA 1.446 -0.635 0 C-N-CA 120.006 -1.093 . . . . 0.52 111.501 -175.441 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 531' ' ' SER . . . . . . . . . . . . . 63.1 m -150.08 14.29 0.8 Allowed 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.262 0.553 . . . . 1.49 110.265 -176.913 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 532' ' ' CYS . . . . . 0.5 ' HB2' ' HD2' ' A' ' 554' ' ' LYS . 76.3 m -89.7 84.22 6.29 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 108.964 -0.754 . . . . 0.25 108.964 177.631 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 533' ' ' THR . . . . . 0.622 ' O ' HG22 ' A' ' 537' ' ' VAL . 74.5 p -99.39 148.31 24.34 Favored 'General case' 0 N--CA 1.444 -0.732 0 C-N-CA 119.869 -0.732 . . . . 1.1 109.266 -178.618 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 534' ' ' GLU . . . . . 0.517 ' HA ' HD11 ' A' ' 552' ' ' LEU . 36.9 mt-10 -67.67 -34.76 77.57 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-O 121.642 0.734 . . . . 1.64 109.42 -179.553 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 535' ' ' ASN . . . . . . . . . . . . . 10.2 t30 -61.87 -48.54 80.04 Favored 'General case' 0 N--CA 1.443 -0.791 0 CA-C-N 114.205 -1.361 . . . . 1.86 110.981 -176.678 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 536' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -71.05 -40.88 71.4 Favored 'General case' 0 N--CA 1.473 0.676 0 CA-C-O 121.146 0.498 . . . . 0.61 111.29 -176.091 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 537' ' ' VAL . . . . . 0.622 HG22 ' O ' ' A' ' 533' ' ' THR . 48.2 t -59.52 -48.14 88.36 Favored 'Isoleucine or valine' 0 C--O 1.242 0.66 0 CA-C-O 122.118 0.961 . . . . 1.03 109.701 179.158 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 538' ' ' ILE . . . . . 0.688 HD11 ' CG ' ' A' ' 550' ' ' TYR . 40.5 mt -68.68 -32.59 55.63 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.719 0 CA-C-N 115.246 -0.888 . . . . 1.06 111.671 175.197 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 539' ' ' ASN . . . . . . . . . . . . . 11.3 m120 -57.49 -26.79 61.81 Favored 'General case' 0 N--CA 1.469 0.498 0 N-CA-C 110.077 -0.342 . . . . 0.25 110.077 176.113 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 540' ' ' LEU . . . . . 0.986 ' HB3' ' HH ' ' A' ' 576' ' ' TYR . 87.9 mt -75.97 -43.07 46.33 Favored 'General case' 0 N--CA 1.448 -0.549 0 N-CA-C 109.82 -0.437 . . . . 1.11 109.82 174.269 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 541' ' ' GLY . . . . . 0.468 ' HA2' ' SD ' ' A' ' 572' ' ' MET . . . -65.69 -51.48 46.74 Favored Glycine 0 CA--C 1.526 0.725 0 N-CA-C 115.322 0.889 . . . . 0.19 115.322 -179.119 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 542' ' ' LEU . . . . . 0.436 ' HA ' ' O ' ' A' ' 545' ' ' GLY . 56.3 mt -57.12 -46.5 99.85 Favored Pre-proline 0 C--N 1.322 -0.616 0 N-CA-C 114.906 1.447 . . . . 1.06 114.906 -168.286 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 543' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -58.92 -26.67 82.02 Favored 'Trans proline' 0 C--N 1.349 0.562 0 C-N-CA 122.042 1.828 . . . . 0.25 113.514 -176.792 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 544' ' ' PHE . . . . . 0.511 ' HB2' ' HE2' ' A' ' 572' ' ' MET . 76.7 m-85 -98.01 -16.35 19.68 Favored 'General case' 0 C--N 1.33 -0.27 0 C-N-CA 120.69 -0.404 . . . . 0.38 110.826 178.939 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 545' ' ' GLY . . . . . 0.436 ' O ' ' HA ' ' A' ' 542' ' ' LEU . . . 173.59 161.26 23.47 Favored Glycine 0 C--O 1.226 -0.344 0 C-N-CA 120.763 -0.732 . . . . 0.44 112.281 178.62 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 546' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -67.78 133.59 49.51 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.112 0.482 . . . . 2.62 111.325 -177.181 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 547' ' ' VAL . . . . . 0.529 ' HB ' HG11 ' A' ' 608' ' ' VAL . 73.0 t -87.95 116.09 29.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 CA-C-N 115.41 -0.814 . . . . 1.05 110.347 175.379 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 548' ' ' THR . . . . . . . . . . . . . 22.8 p -91.49 -35.5 14.28 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.327 -0.397 . . . . 1.11 111.632 179.23 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 549' ' ' ASN . . . . . . . . . . . . . 9.5 m120 -143.97 152.9 41.68 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.916 0.389 . . . . 1.49 111.16 178.419 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 550' ' ' TYR . . . . . 0.688 ' CG ' HD11 ' A' ' 538' ' ' ILE . 1.6 p90 -151.41 149.94 29.87 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.638 -0.71 . . . . 0.96 109.843 176.901 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 551' ' ' ILE . . . . . 0.465 ' HB ' ' HB2' ' A' ' 560' ' ' PHE . 52.6 mt -146.37 124.0 4.09 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.51 0 N-CA-C 107.977 -1.12 . . . . 1.1 107.977 -178.98 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 552' ' ' LEU . . . . . 0.517 HD11 ' HA ' ' A' ' 534' ' ' GLU . 34.9 mt -108.19 126.78 53.19 Favored 'General case' 0 C--N 1.31 -1.141 0 C-N-CA 119.472 -0.891 . . . . 1.17 110.479 -179.76 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 553' ' ' MET . . . . . . . . . . . . . 71.0 mtm -108.94 82.03 1.54 Allowed 'General case' 0 C--N 1.32 -0.708 0 N-CA-C 108.211 -1.033 . . . . 1.55 108.211 176.924 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 554' ' ' LYS . . . . . 0.5 ' HD2' ' HB2' ' A' ' 532' ' ' CYS . 15.2 mmtm -53.32 -29.63 34.77 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 114.623 -1.171 . . . . 1.63 112.682 177.802 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 555' ' ' SER . . . . . . . . . . . . . 62.6 p -69.99 -42.19 73.41 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 120.678 0.275 . . . . 0.7 111.619 -175.029 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 556' ' ' THR . . . . . . . . . . . . . 43.4 p -98.38 4.8 48.54 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 112.199 0.444 . . . . 1.14 112.199 -175.517 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 557' ' ' ASN . . . . . . . . . . . . . 20.3 m120 59.55 39.28 21.75 Favored 'General case' 0 C--O 1.238 0.462 0 CA-C-O 121.314 0.578 . . . . 2.03 110.581 -177.718 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 558' ' ' GLN . . . . . . . . . . . . . 80.3 mt-30 -140.08 166.29 25.06 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.573 -0.74 . . . . 1.24 110.247 -176.147 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 559' ' ' ALA . . . . . . . . . . . . . . . -157.31 165.41 35.91 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 121.421 0.629 . . . . 1.04 112.303 -179.102 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 560' ' ' PHE . . . . . 0.465 ' HB2' ' HB ' ' A' ' 551' ' ' ILE . 95.4 m-85 -120.28 141.29 50.12 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.021 -0.99 . . . . 0.46 110.052 178.527 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 561' ' ' LEU . . . . . 0.41 ' O ' ' HB ' ' A' ' 522' ' ' VAL . 64.4 tp -138.34 119.65 14.73 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.911 -0.586 . . . . 1.06 110.033 -179.706 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 562' ' ' GLU . . . . . . . . . . . . . 43.6 tt0 -100.46 130.86 46.6 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 121.603 0.716 . . . . 2.09 110.596 173.986 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 563' ' ' MET . . . . . 0.754 ' SD ' ' HA ' ' A' ' 569' ' ' ALA . 30.7 mtt -110.94 144.94 39.22 Favored 'General case' 0 C--N 1.314 -0.961 0 CA-C-N 114.419 -1.264 . . . . 1.06 108.452 -179.584 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 564' ' ' ALA . . . . . . . . . . . . . . . -58.8 -28.66 66.2 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 112.97 0.73 . . . . 1.25 112.97 -166.492 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 565' ' ' TYR . . . . . . . . . . . . . 91.9 m-85 -138.84 161.74 36.51 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.811 0.339 . . . . 1.39 110.388 179.685 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 566' ' ' THR . . . . . . . . . . . . . 10.1 t -67.43 -28.23 67.72 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.035 -0.53 . . . . 1.24 110.248 179.096 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 567' ' ' GLU . . . . . 0.462 ' HA ' ' OE1' ' A' ' 570' ' ' GLN . 8.2 pt-20 -58.64 -33.22 69.82 Favored 'General case' 0 C--O 1.231 0.088 0 CA-C-N 115.783 -0.644 . . . . 0.89 111.039 177.542 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 568' ' ' ALA . . . . . 0.642 ' O ' ' HG3' ' A' ' 572' ' ' MET . . . -74.21 -43.64 56.35 Favored 'General case' 0 N--CA 1.449 -0.511 0 CA-C-N 116.08 -0.509 . . . . 1.08 110.013 -178.665 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 569' ' ' ALA . . . . . 0.754 ' HA ' ' SD ' ' A' ' 563' ' ' MET . . . -63.26 -45.28 92.25 Favored 'General case' 0 N--CA 1.454 -0.234 0 CA-C-N 115.759 -0.655 . . . . 1.0 111.324 -176.224 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 570' ' ' GLN . . . . . 0.462 ' OE1' ' HA ' ' A' ' 567' ' ' GLU . 4.9 pt20 -67.32 -36.09 80.76 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.066 -0.515 . . . . 1.72 110.882 -179.052 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 571' ' ' ALA . . . . . . . . . . . . . . . -66.68 -45.56 78.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.393 -0.367 . . . . 1.08 111.222 -178.952 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 572' ' ' MET . . . . . 0.642 ' HG3' ' O ' ' A' ' 568' ' ' ALA . 20.9 mtt -68.53 -43.53 76.52 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.514 -0.312 . . . . 1.05 111.034 -176.621 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 573' ' ' VAL . . . . . 0.682 ' O ' ' HG2' ' A' ' 577' ' ' GLN . 70.4 t -59.08 -46.66 91.73 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.152 0 N-CA-C 110.261 -0.274 . . . . 1.08 110.261 179.342 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 574' ' ' GLN . . . . . . . . . . . . . 15.6 mm100 -61.56 -36.85 81.81 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.004 -0.544 . . . . 2.79 111.008 178.361 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 575' ' ' TYR . . . . . 0.483 ' CE2' ' HE3' ' A' ' 579' ' ' LYS . 70.6 t80 -64.6 -51.97 59.95 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.879 -0.6 . . . . 1.09 110.649 -179.326 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 576' ' ' TYR . . . . . 0.986 ' HH ' ' HB3' ' A' ' 540' ' ' LEU . 68.1 m-85 -72.64 -14.13 61.52 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 112.751 0.648 . . . . 1.03 112.751 -176.771 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 577' ' ' GLN . . . . . 0.682 ' HG2' ' O ' ' A' ' 573' ' ' VAL . 84.4 mm-40 -67.89 -42.43 81.23 Favored 'General case' 0 C--N 1.326 -0.425 0 C-N-CA 120.469 -0.492 . . . . 2.14 109.908 173.066 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 578' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -90.47 -38.65 13.11 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.153 -0.476 . . . . 2.14 111.505 178.907 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 579' ' ' LYS . . . . . 0.514 ' O ' ' HA ' ' A' ' 576' ' ' TYR . 52.2 mtmt -132.21 93.98 24.77 Favored Pre-proline 0 C--N 1.327 -0.403 0 N-CA-C 110.043 -0.355 . . . . 2.95 110.043 176.762 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 580' ' ' PRO . . . . . . . . . . . . . 57.3 Cg_endo -71.4 161.13 46.56 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.857 2.371 . . . . 0.51 112.242 -178.937 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 581' ' ' ALA . . . . . 0.613 ' HB3' ' CE1' ' A' ' 576' ' ' TYR . . . -90.53 128.94 36.71 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 109.722 -0.473 . . . . 1.09 109.722 178.872 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 582' ' ' ILE . . . . . . . . . . . . . 53.5 mt -103.08 119.58 51.71 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.8 0 CA-C-O 121.018 0.437 . . . . 1.19 111.094 -175.341 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 583' ' ' ILE . . . . . . . . . . . . . 32.0 mm -124.38 117.8 51.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 N-CA-C 109.27 -0.641 . . . . 1.21 109.27 176.669 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 584' ' ' ASN . . . . . . . . . . . . . 3.5 m-20 59.97 33.42 21.42 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-O 121.326 0.584 . . . . 1.34 110.278 -179.469 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 585' ' ' GLY . . . . . . . . . . . . . . . 79.17 3.88 88.61 Favored Glycine 0 N--CA 1.447 -0.598 0 CA-C-N 115.511 -0.768 . . . . 0.51 113.161 179.288 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 586' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -109.8 127.56 54.74 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.066 0.46 . . . . 1.79 110.806 -179.855 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 587' ' ' LYS . . . . . . . . . . . . . 53.4 mttp -75.72 124.89 28.02 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.519 -0.764 . . . . 2.25 111.412 -178.432 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 588' ' ' LEU . . . . . 0.464 HD13 HD12 ' A' ' 540' ' ' LEU . 60.0 mt -83.21 140.46 32.54 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.83 -0.623 . . . . 1.03 110.978 179.702 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 589' ' ' LEU . . . . . . . . . . . . . 55.9 tp -112.41 111.16 21.8 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.814 -0.63 . . . . 1.13 109.991 179.005 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 590' ' ' ILE . . . . . 0.688 HD13 ' CE2' ' A' ' 576' ' ' TYR . 16.3 mt -102.51 128.23 55.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-O 120.75 0.309 . . . . 1.08 110.24 176.657 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 591' ' ' ARG . . . . . . . . . . . . . 19.7 mtp180 -145.84 164.14 32.85 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.94 -0.573 . . . . 3.18 109.939 -176.055 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 592' ' ' MET . . . . . . . . . . . . . 60.8 mtt -82.28 148.77 28.17 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 120.949 0.404 . . . . 1.13 110.586 179.481 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 593' ' ' SER . . . . . 0.65 ' OG ' ' HB ' ' A' ' 521' ' ' VAL . 76.1 p -82.66 132.62 35.18 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.964 -0.562 . . . . 1.65 111.359 -175.016 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 594' ' ' THR . . . . . . . . . . . . . 18.9 p -90.99 -21.97 21.03 Favored 'General case' 0 C--N 1.315 -0.9 0 CA-C-N 115.548 -0.751 . . . . 1.14 111.46 176.194 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 595' ' ' ARG . . . . . . . . . . . . . 94.1 mtt180 -103.99 -31.32 9.78 Favored 'General case' 0 CA--C 1.534 0.331 0 N-CA-C 113.525 0.935 . . . . 3.37 113.525 -167.718 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 596' ' ' TYR . . . . . . . . . . . . . 67.6 m-85 -124.41 142.47 51.28 Favored 'General case' 0 N--CA 1.467 0.384 0 O-C-N 121.997 -0.439 . . . . 1.15 111.827 -176.774 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 597' ' ' LYS . . . . . 0.446 ' N ' ' HD2' ' A' ' 597' ' ' LYS . 8.5 mptt -109.15 -7.43 15.31 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.817 -0.628 . . . . 2.63 112.37 179.738 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 598' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -143.8 150.51 38.64 Favored 'General case' 0 C--N 1.328 -0.368 0 C-N-CA 120.414 -0.514 . . . . 0.95 110.735 -178.19 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 599' ' ' LEU . . . . . 0.459 HD22 HG13 ' A' ' 521' ' ' VAL . 33.5 mt -108.11 121.49 44.94 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.557 -0.747 . . . . 1.18 111.172 176.649 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 600' ' ' GLN . . . . . . . . . . . . . 28.6 tt0 -106.51 126.9 52.84 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.21 -0.905 . . . . 1.65 109.746 178.714 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 601' ' ' LEU . . . . . . . . . . . . . 94.1 mt -91.23 89.12 7.18 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.149 0.5 . . . . 1.23 111.226 -176.019 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 602' ' ' LYS . . . . . . . . . . . . . 45.2 mtpt -79.04 -19.01 52.5 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.256 0.551 . . . . 2.22 110.088 177.176 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 603' ' ' LYS . . . . . . . . . . . . . 34.3 mmtp . . . . . 0 C--N 1.324 -0.535 0 CA-C-N 115.733 -0.667 . . . . 2.26 109.983 179.629 . . . . . . . . 0 0 . 1 . 024 nuclear orig core ' A' A ' 607' ' ' ASN . . . . . . . . . . . . . 40.2 t-20 . . . . . 0 CA--C 1.518 -0.276 0 CA-C-O 121.18 0.514 . . . . 1.8 109.957 . . . . . . . . . 0 0 . 1 . 024 nuclear orig core ' A' A ' 608' ' ' VAL . . . . . 0.529 HG11 ' HB ' ' A' ' 547' ' ' VAL . 97.9 t -127.03 -5.44 4.58 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.815 0 CA-C-O 121.962 0.887 . . . . 1.07 108.834 174.781 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 609' ' ' ALA . . . . . . . . . . . . . . . -70.04 -44.12 69.86 Favored 'General case' 0 C--O 1.236 0.358 0 CA-C-N 115.089 -0.96 . . . . 1.27 110.446 178.106 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 610' ' ' ALA . . . . . . . . . . . . . . . -61.11 -29.7 69.92 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.166 -0.925 . . . . 1.14 110.55 -179.317 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 611' ' ' ILE . . . . . 0.497 ' CD1' HD13 ' A' ' 538' ' ' ILE . 72.4 mt -71.41 -34.29 52.94 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.501 0 CA-C-N 115.576 -0.738 . . . . 1.03 109.927 -178.624 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 612' ' ' ILE . . . . . 0.407 HG12 HD12 ' A' ' 542' ' ' LEU . 65.7 mt -60.68 -43.21 94.46 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.174 0 N-CA-C 109.725 -0.472 . . . . 1.11 109.725 174.055 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 613' ' ' GLN . . . . . . . . . . . . . 24.8 mm-40 -66.48 -35.26 79.82 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.837 -0.62 . . . . 3.02 109.8 179.917 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 614' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -65.98 -40.22 91.01 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 114.978 -1.01 . . . . 1.95 110.475 -179.872 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 615' ' ' ILE . . . . . 0.466 HG13 ' O ' ' A' ' 611' ' ' ILE . 87.4 mt -59.64 -42.2 87.63 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.227 0 CA-C-N 116.4 -0.364 . . . . 1.08 110.425 176.652 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 616' ' ' HIS . . . . . . . . . . . . . 81.7 m-70 -65.88 -26.68 67.74 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.408 -0.36 . . . . 1.73 110.914 178.562 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 617' ' ' SER . . . . . . . . . . . . . 15.2 m . . . . . 0 C--N 1.327 -0.377 0 CA-C-O 120.92 0.39 . . . . 1.77 110.738 176.013 . . . . . . . . 0 0 . 1 . 025 nuclear orig core ' A' A ' 520' ' ' ARG . . . . . . . . . . . . . 49.0 mtm-85 . . . . . 0 CA--C 1.513 -0.446 0 CA-C-O 121.31 0.576 . . . . 2.86 111.031 . . . . . . . . . 0 0 . 1 . 025 nuclear orig core ' A' A ' 521' ' ' VAL . . . . . 0.524 HG11 HD21 ' A' ' 599' ' ' LEU . 91.4 t -115.65 122.7 69.98 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.872 0 CA-C-N 115.145 -0.934 . . . . 1.14 110.349 170.465 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 522' ' ' VAL . . . . . 0.526 ' HB ' ' O ' ' A' ' 561' ' ' LEU . 22.3 t -120.66 121.2 64.74 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.732 0 N-CA-C 107.672 -1.233 . . . . 1.05 107.672 174.113 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 523' ' ' HIS . . . . . . . . . . . . . 40.7 t-80 -106.31 130.13 54.2 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-O 121.058 0.456 . . . . 0.57 110.12 -173.765 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 524' ' ' ILE . . . . . . . . . . . . . 31.5 mt -111.17 136.04 48.47 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.999 0 N-CA-C 108.717 -0.845 . . . . 1.06 108.717 178.621 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 525' ' ' CYS . . . . . 0.517 ' O ' ' HB2' ' A' ' 526' ' ' ASN . 1.8 p -139.03 166.61 24.06 Favored 'General case' 0 C--N 1.311 -1.092 0 C-N-CA 120.684 -0.406 . . . . 1.75 111.3 -173.764 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 526' ' ' ASN . . . . . 0.517 ' HB2' ' O ' ' A' ' 525' ' ' CYS . 95.5 m-20 87.39 28.25 0.03 OUTLIER 'General case' 0 N--CA 1.468 0.462 0 O-C-N 124.983 1.427 . . . . 0.28 110.291 178.041 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 527' ' ' LEU . . . . . 0.414 ' HA ' ' HD3' ' A' ' 528' ' ' PRO . 81.3 mt -87.49 125.58 64.96 Favored Pre-proline 0 N--CA 1.449 -0.524 0 CA-C-N 115.207 -0.906 . . . . 1.04 108.86 177.036 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 528' ' ' PRO . . . . . 0.414 ' HD3' ' HA ' ' A' ' 527' ' ' LEU . 6.9 Cg_exo -70.56 134.6 26.64 Favored 'Trans proline' 0 N--CA 1.46 -0.499 0 C-N-CA 121.727 1.618 . . . . 0.5 111.566 -178.873 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 529' ' ' GLU . . . . . 0.407 ' HB2' ' ND2' ' A' ' 557' ' ' ASN . 52.9 tt0 -66.06 133.82 51.56 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.155 -0.475 . . . . 1.6 109.721 178.782 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 530' ' ' GLY . . . . . . . . . . . . . . . 87.64 3.55 80.73 Favored Glycine 0 N--CA 1.446 -0.639 0 C-N-CA 120.305 -0.95 . . . . 0.52 111.13 -173.382 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 531' ' ' SER . . . . . . . . . . . . . 57.3 m -149.05 17.86 0.97 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.005 0.431 . . . . 1.49 110.73 -177.167 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 532' ' ' CYS . . . . . . . . . . . . . 57.3 m -92.02 95.2 9.65 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 108.921 -0.77 . . . . 0.25 108.921 177.0 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 533' ' ' THR . . . . . 0.583 ' O ' HG22 ' A' ' 537' ' ' VAL . 81.1 p -106.92 150.2 26.68 Favored 'General case' 0 C--N 1.322 -0.609 0 C-N-CA 120.372 -0.531 . . . . 1.1 110.114 -177.737 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 534' ' ' GLU . . . . . 0.564 ' N ' HD12 ' A' ' 552' ' ' LEU . 37.2 mt-10 -67.48 -35.84 79.94 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.354 0.597 . . . . 1.64 110.065 -178.93 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 535' ' ' ASN . . . . . . . . . . . . . 54.9 t30 -63.21 -48.55 77.83 Favored 'General case' 0 C--O 1.215 -0.754 0 CA-C-N 114.847 -1.069 . . . . 1.86 111.232 -173.737 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 536' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -70.66 -40.9 72.73 Favored 'General case' 0 N--CA 1.469 0.478 0 CA-C-O 121.207 0.527 . . . . 0.61 111.438 -173.701 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 537' ' ' VAL . . . . . 0.583 HG22 ' O ' ' A' ' 533' ' ' THR . 38.3 t -59.77 -47.92 89.53 Favored 'Isoleucine or valine' 0 C--O 1.241 0.656 0 CA-C-O 122.149 0.976 . . . . 1.03 109.575 179.2 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 538' ' ' ILE . . . . . 0.613 HD13 ' CG ' ' A' ' 550' ' ' TYR . 66.6 mt -68.43 -33.28 59.36 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.728 0 CA-C-N 114.936 -1.029 . . . . 1.06 111.364 175.799 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 539' ' ' ASN . . . . . 0.431 ' HA ' HD13 ' A' ' 615' ' ' ILE . 11.1 m120 -57.35 -27.73 62.52 Favored 'General case' 0 CA--C 1.51 -0.56 0 N-CA-C 110.08 -0.341 . . . . 0.25 110.08 177.108 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 540' ' ' LEU . . . . . 0.473 HD11 HD12 ' A' ' 588' ' ' LEU . 40.5 mt -76.62 -41.42 46.05 Favored 'General case' 0 C--N 1.321 -0.638 0 C-N-CA 120.704 -0.398 . . . . 1.11 110.37 174.433 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 541' ' ' GLY . . . . . . . . . . . . . . . -64.57 -51.2 54.21 Favored Glycine 0 CA--C 1.527 0.801 0 N-CA-C 115.814 1.086 . . . . 0.19 115.814 -179.753 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 542' ' ' LEU . . . . . 0.479 HD11 ' CG1' ' A' ' 612' ' ' ILE . 54.7 mt -62.08 -42.73 83.33 Favored Pre-proline 0 C--N 1.319 -0.749 0 N-CA-C 115.448 1.647 . . . . 1.06 115.448 -168.326 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 543' ' ' PRO . . . . . . . . . . . . . 50.7 Cg_exo -60.18 -26.73 83.3 Favored 'Trans proline' 0 CA--C 1.531 0.329 0 C-N-CA 121.547 1.498 . . . . 0.25 113.362 -178.12 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 544' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -102.47 -15.09 16.58 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 112.148 0.425 . . . . 0.38 112.148 -179.555 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 545' ' ' GLY . . . . . 0.405 ' O ' ' HA ' ' A' ' 542' ' ' LEU . . . -171.59 -175.53 39.99 Favored Glycine 0 C--O 1.224 -0.476 0 C-N-CA 120.089 -1.053 . . . . 0.44 112.599 -177.074 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 546' ' ' LYS . . . . . . . . . . . . . 25.1 ttmm -94.99 122.74 37.95 Favored 'General case' 0 C--N 1.318 -0.775 0 N-CA-C 109.854 -0.425 . . . . 2.62 109.854 -178.152 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 547' ' ' VAL . . . . . 0.533 ' HB ' HG12 ' A' ' 608' ' ' VAL . 83.1 t -88.96 113.46 25.62 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.63 0 CA-C-O 121.316 0.579 . . . . 1.05 110.271 175.289 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 548' ' ' THR . . . . . . . . . . . . . 21.4 p -98.35 -34.97 10.46 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-N 115.536 -0.756 . . . . 1.11 111.544 177.975 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 549' ' ' ASN . . . . . 0.452 ' ND2' ' HG ' ' A' ' 601' ' ' LEU . 7.0 m-20 -140.5 150.59 43.94 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.011 -0.541 . . . . 1.49 110.324 -178.657 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 550' ' ' TYR . . . . . 0.613 ' CG ' HD13 ' A' ' 538' ' ' ILE . 1.2 p90 -151.82 150.78 30.51 Favored 'General case' 0 C--N 1.317 -0.827 0 CA-C-N 115.449 -0.796 . . . . 0.96 109.008 179.348 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 551' ' ' ILE . . . . . 0.412 ' HB ' ' HB2' ' A' ' 560' ' ' PHE . 47.8 mt -144.4 123.38 6.8 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 N-CA-C 108.246 -1.02 . . . . 1.1 108.246 -176.529 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 552' ' ' LEU . . . . . 0.564 HD12 ' N ' ' A' ' 534' ' ' GLU . 23.8 mt -107.56 122.28 46.35 Favored 'General case' 0 C--N 1.317 -0.846 0 C-N-CA 120.117 -0.633 . . . . 1.17 109.954 -179.475 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 553' ' ' MET . . . . . . . . . . . . . 53.6 mtm -109.0 82.49 1.6 Allowed 'General case' 0 C--N 1.316 -0.867 0 N-CA-C 108.592 -0.892 . . . . 1.55 108.592 179.529 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 554' ' ' LYS . . . . . . . . . . . . . 24.7 mmtp -54.08 -29.96 46.48 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 114.483 -1.235 . . . . 1.63 112.643 178.212 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 555' ' ' SER . . . . . . . . . . . . . 61.2 p -69.99 -41.39 74.46 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 120.808 0.337 . . . . 0.7 111.031 -174.925 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 556' ' ' THR . . . . . . . . . . . . . 71.6 p -98.08 3.85 49.23 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 112.304 0.483 . . . . 1.14 112.304 -177.3 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 557' ' ' ASN . . . . . 0.492 ' N ' HD21 ' A' ' 557' ' ' ASN . 0.8 OUTLIER 58.74 38.72 24.83 Favored 'General case' 0 N--CA 1.47 0.57 0 CA-C-O 121.563 0.697 . . . . 2.03 110.367 -178.868 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 558' ' ' GLN . . . . . . . . . . . . . 42.6 mt-30 -142.04 168.05 20.68 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.303 -0.862 . . . . 1.24 110.154 -176.682 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 559' ' ' ALA . . . . . . . . . . . . . . . -156.94 165.1 37.12 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.118 0.485 . . . . 1.04 111.686 -176.932 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 560' ' ' PHE . . . . . 0.412 ' HB2' ' HB ' ' A' ' 551' ' ' ILE . 85.1 m-85 -120.98 149.91 41.94 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.875 -0.602 . . . . 0.46 111.337 176.737 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 561' ' ' LEU . . . . . 0.526 ' O ' ' HB ' ' A' ' 522' ' ' VAL . 51.4 tp -137.22 120.44 16.79 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.289 -0.869 . . . . 1.06 109.897 -178.845 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 562' ' ' GLU . . . . . 0.426 ' HB3' ' HB2' ' A' ' 549' ' ' ASN . 31.3 tt0 -98.94 132.86 43.94 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.345 0.593 . . . . 2.09 110.612 179.031 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 563' ' ' MET . . . . . 0.634 ' SD ' ' HA ' ' A' ' 569' ' ' ALA . 39.0 mtt -118.78 152.85 35.43 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 114.943 -1.026 . . . . 1.06 109.142 -177.418 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 564' ' ' ALA . . . . . . . . . . . . . . . -76.83 -20.06 56.8 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.333 -0.394 . . . . 1.25 111.86 -169.212 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 565' ' ' TYR . . . . . . . . . . . . . 91.5 m-85 -141.7 151.86 43.35 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.388 -0.369 . . . . 1.39 110.383 179.917 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 566' ' ' THR . . . . . . . . . . . . . 15.0 t -67.76 -27.63 66.94 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-N 115.686 -0.688 . . . . 1.24 110.454 -178.671 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 567' ' ' GLU . . . . . 0.543 ' HA ' HE21 ' A' ' 570' ' ' GLN . 7.7 pt-20 -58.77 -31.81 68.71 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-N 116.005 -0.543 . . . . 0.89 111.343 176.011 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 568' ' ' ALA . . . . . 0.645 ' O ' ' HG3' ' A' ' 572' ' ' MET . . . -72.97 -42.56 63.23 Favored 'General case' 0 N--CA 1.449 -0.488 0 CA-C-N 116.278 -0.419 . . . . 1.08 110.22 -177.653 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 569' ' ' ALA . . . . . 0.634 ' HA ' ' SD ' ' A' ' 563' ' ' MET . . . -64.09 -45.9 86.63 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.925 -0.579 . . . . 1.0 111.535 -175.908 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 570' ' ' GLN . . . . . 0.543 HE21 ' HA ' ' A' ' 567' ' ' GLU . 25.5 pt20 -69.11 -36.1 77.16 Favored 'General case' 0 C--N 1.328 -0.338 0 C-N-CA 120.697 -0.401 . . . . 1.72 110.707 -178.346 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 571' ' ' ALA . . . . . . . . . . . . . . . -64.39 -44.11 92.36 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.241 -0.436 . . . . 1.08 111.06 -179.777 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 572' ' ' MET . . . . . 0.645 ' HG3' ' O ' ' A' ' 568' ' ' ALA . 28.4 mtt -67.82 -41.49 82.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.439 -0.346 . . . . 1.05 110.506 -179.207 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 573' ' ' VAL . . . . . 0.543 HG23 ' O ' ' A' ' 569' ' ' ALA . 82.0 t -58.54 -45.96 90.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 N-CA-C 110.039 -0.356 . . . . 1.08 110.039 177.817 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 574' ' ' GLN . . . . . . . . . . . . . 15.3 mm-40 -60.98 -40.3 92.92 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.39 -0.368 . . . . 2.79 110.989 178.463 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 575' ' ' TYR . . . . . . . . . . . . . 76.5 t80 -68.0 -53.03 29.02 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 116.057 -0.52 . . . . 1.09 110.928 -177.685 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 576' ' ' TYR . . . . . 0.442 ' CD2' HD12 ' A' ' 590' ' ' ILE . 93.2 m-85 -75.04 -12.61 60.36 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 112.971 0.73 . . . . 1.03 112.971 -174.96 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 577' ' ' GLN . . . . . 0.445 ' HA ' ' OE1' ' A' ' 577' ' ' GLN . 12.4 mm-40 -74.22 -41.42 61.4 Favored 'General case' 0 C--N 1.323 -0.557 0 C-N-CA 120.282 -0.567 . . . . 2.14 110.173 171.261 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 578' ' ' GLU . . . . . . . . . . . . . 48.6 mt-10 -87.39 -37.75 16.78 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.353 -0.385 . . . . 2.14 111.318 179.329 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 579' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -133.21 85.4 44.83 Favored Pre-proline 0 C--N 1.326 -0.424 0 CA-C-O 120.765 0.317 . . . . 2.95 110.269 176.898 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 580' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo -70.12 161.89 44.3 Favored 'Trans proline' 0 C--O 1.236 0.38 0 C-N-CA 123.147 2.564 . . . . 0.51 112.759 -179.793 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 581' ' ' ALA . . . . . . . . . . . . . . . -92.85 137.9 31.96 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.03 -0.532 . . . . 1.09 110.353 -178.924 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 582' ' ' ILE . . . . . . . . . . . . . 65.5 mt -98.94 122.03 50.2 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.682 0 CA-C-O 120.945 0.403 . . . . 1.19 111.116 -177.344 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 583' ' ' ILE . . . . . 0.445 HG13 HD13 ' A' ' 588' ' ' LEU . 28.5 mm -126.89 112.29 28.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 115.979 -0.555 . . . . 1.21 109.908 175.296 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 584' ' ' ASN . . . . . . . . . . . . . 51.4 m-80 53.73 39.71 30.59 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-O 121.482 0.658 . . . . 1.34 111.03 -179.483 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 585' ' ' GLY . . . . . . . . . . . . . . . 84.62 0.12 89.24 Favored Glycine 0 N--CA 1.445 -0.737 0 CA-C-N 114.958 -1.019 . . . . 0.51 113.926 175.149 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 586' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -114.63 127.75 55.94 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 117.263 0.531 . . . . 1.79 111.005 -179.89 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 587' ' ' LYS . . . . . . . . . . . . . 96.3 mttt -73.3 130.13 39.53 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.723 -0.671 . . . . 2.25 111.327 179.548 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 588' ' ' LEU . . . . . 0.473 HD12 HD11 ' A' ' 540' ' ' LEU . 33.5 mt -85.54 141.2 30.04 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.011 -0.541 . . . . 1.03 111.032 179.689 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 589' ' ' LEU . . . . . 0.413 ' HB3' ' SG ' ' A' ' 525' ' ' CYS . 61.1 tp -112.7 112.41 23.91 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.825 -0.625 . . . . 1.13 110.486 178.213 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 590' ' ' ILE . . . . . 0.442 HD12 ' CD2' ' A' ' 576' ' ' TYR . 23.5 mt -99.89 120.21 48.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 N-CA-C 109.899 -0.408 . . . . 1.08 109.899 175.217 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 591' ' ' ARG . . . . . . . . . . . . . 58.1 mtp180 -147.46 165.36 30.51 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.242 -0.436 . . . . 3.18 110.332 -176.643 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 592' ' ' MET . . . . . . . . . . . . . 52.0 mtt -83.29 139.44 33.07 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 109.73 -0.47 . . . . 1.13 109.73 179.473 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 593' ' ' SER . . . . . . . . . . . . . 37.7 t -78.46 139.98 38.67 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.365 0.602 . . . . 1.65 110.965 -178.473 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 594' ' ' THR . . . . . . . . . . . . . 21.0 p -90.21 -13.02 36.34 Favored 'General case' 0 C--N 1.316 -0.875 0 CA-C-N 114.934 -1.03 . . . . 1.14 111.493 -178.98 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 595' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -101.73 -27.46 13.03 Favored 'General case' 0 C--O 1.234 0.26 0 N-CA-C 113.055 0.761 . . . . 3.37 113.055 -169.671 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 596' ' ' TYR . . . . . . . . . . . . . 98.3 m-85 -129.04 148.24 50.98 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 112.411 0.523 . . . . 1.15 112.411 -175.227 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 597' ' ' LYS . . . . . . . . . . . . . 9.2 mptt -108.81 -8.72 15.28 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.326 -0.852 . . . . 2.63 111.574 176.456 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 598' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -142.85 150.47 39.94 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.135 0.493 . . . . 0.95 111.258 -177.752 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 599' ' ' LEU . . . . . 0.524 HD21 HG11 ' A' ' 521' ' ' VAL . 81.6 mt -115.34 123.65 49.26 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.288 -0.869 . . . . 1.18 110.683 176.584 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 600' ' ' GLN . . . . . . . . . . . . . 22.6 tt0 -113.87 121.98 45.64 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.305 -0.407 . . . . 1.65 110.459 179.468 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 601' ' ' LEU . . . . . 0.452 ' HG ' ' ND2' ' A' ' 549' ' ' ASN . 80.5 mt -72.46 100.64 2.75 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.864 0.364 . . . . 1.23 111.188 178.954 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 602' ' ' LYS . . . . . . . . . . . . . 94.3 mttt -83.01 -14.91 53.08 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.489 0.661 . . . . 2.22 109.474 171.352 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 603' ' ' LYS . . . . . . . . . . . . . 34.9 mmtp . . . . . 0 C--N 1.322 -0.615 0 CA-C-N 115.146 -0.933 . . . . 2.26 108.793 175.446 . . . . . . . . 0 0 . 1 . 025 nuclear orig core ' A' A ' 607' ' ' ASN . . . . . . . . . . . . . 28.0 t-20 . . . . . 0 C--O 1.231 0.13 0 CA-C-O 121.258 0.552 . . . . 1.8 110.752 . . . . . . . . . 0 0 . 1 . 025 nuclear orig core ' A' A ' 608' ' ' VAL . . . . . 0.533 HG12 ' HB ' ' A' ' 547' ' ' VAL . 72.5 t -86.45 -20.35 7.86 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-N 115.498 -0.773 . . . . 1.07 111.002 -176.204 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 609' ' ' ALA . . . . . . . . . . . . . . . -61.35 -32.56 72.46 Favored 'General case' 0 C--O 1.238 0.491 0 CA-C-O 121.333 0.587 . . . . 1.27 111.097 177.396 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 610' ' ' ALA . . . . . . . . . . . . . . . -64.96 -27.59 68.94 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.968 -0.56 . . . . 1.14 110.204 177.217 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 611' ' ' ILE . . . . . 0.438 ' O ' HG13 ' A' ' 615' ' ' ILE . 76.0 mt -71.54 -30.47 39.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-N 115.798 -0.637 . . . . 1.03 110.107 178.401 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 612' ' ' ILE . . . . . 0.479 ' CG1' HD11 ' A' ' 542' ' ' LEU . 61.4 mt -60.47 -43.71 94.81 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.247 0 N-CA-C 109.55 -0.537 . . . . 1.11 109.55 171.993 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 613' ' ' GLN . . . . . . . . . . . . . 25.7 mt-30 -62.62 -33.9 75.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.559 -0.746 . . . . 3.02 110.158 177.465 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 614' ' ' ASP . . . . . . . . . . . . . 23.4 t70 -65.97 -44.8 83.88 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.234 -0.894 . . . . 1.95 110.607 179.374 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 615' ' ' ILE . . . . . 0.438 HG13 ' O ' ' A' ' 611' ' ' ILE . 83.9 mt -62.1 -47.41 93.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 115.881 -0.6 . . . . 1.08 110.768 -179.989 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 616' ' ' HIS . . . . . . . . . . . . . 20.0 m-70 -63.47 -31.42 72.57 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.008 -0.542 . . . . 1.73 111.214 -179.452 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 617' ' ' SER . . . . . . . . . . . . . 64.2 m . . . . . 0 C--N 1.328 -0.357 0 CA-C-N 116.659 -0.246 . . . . 1.77 110.658 176.038 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 1' ' ' ADN . . . . . 0.596 ' C6 ' HG22 ' A' ' 594' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 2' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.879 0 C3'-C2'-C1' 100.224 -1.417 . 0.0 '__' . 2.99 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 3' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.846 0 C3'-C2'-C1' 100.54 -1.067 . 0.0 OUTLIER . 1.58 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 4' ' ' ' U' . . . . . 0.448 ' O4 ' ' HA ' ' A' ' 599' ' ' LEU . . . . . . . . 0 O5'--C5' 1.427 -0.838 0 C3'-C2'-C1' 99.885 -1.795 . 0.0 OUTLIER gamma 1.21 . . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 5' ' ' ' U' . . . . . 0.647 ' N3 ' HG21 ' A' ' 551' ' ' ILE . . . . . . . . 0 O5'--C5' 1.426 -0.879 0 C3'-C2'-C1' 99.974 -1.695 . 0.294 0b . 1.33 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 6' ' ' ' A' . . . . . 0.471 " C5'" ' HB2' ' A' ' 554' ' ' LYS . . . . . . . . 0 O5'--C5' 1.428 -0.741 0 C4'-C3'-C2' 103.437 0.737 . 0.0 OUTLIER . 4.58 . . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 510' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.693 0 N-CA-C 112.06 -0.416 . . . . 9.27 112.06 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 511' ' ' ALA . . . . . . . . . . . . . . . 62.73 16.54 9.06 Favored 'General case' 0 N--CA 1.466 0.337 0 C-N-CA 122.884 0.474 . . . . 6.96 111.924 178.32 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 512' ' ' MET . . . . . . . . . . . . . 64.4 ttp -80.0 -46.21 17.04 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.283 0.563 . . . . 6.68 109.753 178.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 513' ' ' ALA . . . . . . . . . . . . . . . -87.7 72.6 9.47 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.699 -0.682 . . . . 4.66 109.864 178.097 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 514' ' ' GLN . . . . . 0.417 ' NE2' ' HA ' ' A' ' 594' ' ' THR . 96.9 mt-30 72.62 153.72 0.14 Allowed 'General case' 0 N--CA 1.464 0.273 0 CA-C-N 115.392 -0.822 . . . . 2.88 111.384 -179.027 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 515' ' ' ARG . . . . . . . . . . . . . 32.6 mmt180 -85.63 62.86 7.73 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.694 -0.684 . . . . 4.64 110.617 -178.456 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 516' ' ' LYS . . . . . . . . . . . . . 71.9 mmtt -94.09 61.12 2.89 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.009 0.433 . . . . 2.38 110.226 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 517' ' ' GLY . . . . . . . . . . . . . . . -135.18 -68.52 0.07 OUTLIER Glycine 0 N--CA 1.45 -0.415 0 N-CA-C 111.028 -0.829 . . . . 2.04 111.028 177.674 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 518' ' ' ALA . . . . . . . . . . . . . . . -86.25 67.33 9.91 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 108.717 -0.846 . . . . 1.94 108.717 172.201 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 519' ' ' GLY . . . . . . . . . . . . . . . 119.88 123.47 3.11 Favored Glycine 0 N--CA 1.441 -0.974 0 N-CA-C 110.647 -0.981 . . . . 0.98 110.647 -171.563 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 520' ' ' ARG . . . . . . . . . . . . . 13.3 mtm-85 -134.03 135.41 43.36 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 121.005 0.431 . . . . 2.86 110.44 176.795 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 521' ' ' VAL . . . . . 0.529 HG12 HD23 ' A' ' 599' ' ' LEU . 94.8 t -116.77 121.01 66.75 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.703 0 CA-C-N 115.913 -0.585 . . . . 1.14 110.038 167.731 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 522' ' ' VAL . . . . . 0.608 ' HB ' ' O ' ' A' ' 561' ' ' LEU . 28.3 t -120.3 121.32 65.37 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.882 0 N-CA-C 107.639 -1.245 . . . . 1.05 107.639 175.457 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 523' ' ' HIS . . . . . . . . . . . . . 45.1 t-80 -105.57 130.44 53.62 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-O 121.176 0.512 . . . . 0.57 110.651 -172.65 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 524' ' ' ILE . . . . . 0.421 HG12 HG12 ' A' ' 590' ' ' ILE . 27.5 mt -111.23 142.43 23.66 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.882 0 N-CA-C 108.223 -1.029 . . . . 1.06 108.223 176.759 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 525' ' ' CYS . . . . . 0.487 ' O ' ' HB2' ' A' ' 526' ' ' ASN . 1.3 p -143.29 166.05 25.79 Favored 'General case' 0 C--N 1.313 -1.004 0 C-N-CA 120.325 -0.55 . . . . 1.75 111.526 -176.748 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 526' ' ' ASN . . . . . 0.487 ' HB2' ' O ' ' A' ' 525' ' ' CYS . 86.5 m-20 87.38 27.32 0.04 OUTLIER 'General case' 0 N--CA 1.467 0.385 0 O-C-N 125.154 1.533 . . . . 0.28 110.042 179.135 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 527' ' ' LEU . . . . . 0.429 ' HA ' ' HD3' ' A' ' 528' ' ' PRO . 80.5 mt -92.22 123.27 63.0 Favored Pre-proline 0 C--N 1.327 -0.412 0 CA-C-N 115.247 -0.888 . . . . 1.04 109.027 177.206 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 528' ' ' PRO . . . . . 0.429 ' HD3' ' HA ' ' A' ' 527' ' ' LEU . 3.2 Cg_exo -74.19 135.25 20.44 Favored 'Trans proline' 0 N--CA 1.46 -0.499 0 C-N-CA 121.829 1.686 . . . . 0.5 111.973 -177.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 529' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -64.34 129.31 39.44 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 109.37 -0.604 . . . . 1.6 109.37 174.619 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 530' ' ' GLY . . . . . . . . . . . . . . . 93.65 4.29 63.89 Favored Glycine 0 N--CA 1.445 -0.763 0 C-N-CA 120.211 -0.995 . . . . 0.52 110.639 -171.888 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 531' ' ' SER . . . . . . . . . . . . . 48.0 m -149.19 7.65 0.7 Allowed 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.23 -0.485 . . . . 1.49 110.223 -179.119 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 532' ' ' CYS . . . . . 0.488 ' HB2' ' HD2' ' A' ' 554' ' ' LYS . 66.8 m -89.27 86.54 6.86 Favored 'General case' 0 CA--C 1.515 -0.375 0 N-CA-C 108.789 -0.819 . . . . 0.25 108.789 177.254 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 533' ' ' THR . . . . . 0.543 ' O ' HG22 ' A' ' 537' ' ' VAL . 72.4 p -98.03 147.45 24.51 Favored 'General case' 0 N--CA 1.442 -0.851 0 C-N-CA 119.999 -0.68 . . . . 1.1 109.787 -178.066 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 534' ' ' GLU . . . . . 0.516 ' HA ' HD11 ' A' ' 552' ' ' LEU . 35.2 mt-10 -68.55 -36.15 78.41 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.55 0.69 . . . . 1.64 110.279 -177.207 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 535' ' ' ASN . . . . . . . . . . . . . 4.7 t-20 -66.0 -46.73 76.92 Favored 'General case' 0 C--O 1.216 -0.68 0 CA-C-N 114.602 -1.181 . . . . 1.86 110.833 -175.376 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 536' ' ' ASP . . . . . 0.427 ' HA ' ' OD1' ' A' ' 539' ' ' ASN . 1.3 m-20 -71.31 -41.79 69.44 Favored 'General case' 0 N--CA 1.474 0.75 0 CA-C-O 121.112 0.482 . . . . 0.61 111.893 -172.137 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 537' ' ' VAL . . . . . 0.543 HG22 ' O ' ' A' ' 533' ' ' THR . 45.8 t -58.97 -46.52 91.49 Favored 'Isoleucine or valine' 0 C--O 1.242 0.686 0 CA-C-O 122.267 1.032 . . . . 1.03 109.335 178.344 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 538' ' ' ILE . . . . . 0.629 HD12 ' CG ' ' A' ' 550' ' ' TYR . 27.6 mt -67.85 -32.37 56.18 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.789 0 CA-C-N 114.914 -1.039 . . . . 1.06 111.398 174.592 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 539' ' ' ASN . . . . . 0.427 ' OD1' ' HA ' ' A' ' 536' ' ' ASP . 11.1 m120 -57.69 -28.21 63.6 Favored 'General case' 0 CA--C 1.513 -0.474 0 N-CA-C 110.427 -0.212 . . . . 0.25 110.427 177.422 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 540' ' ' LEU . . . . . 0.707 ' HB3' ' HH ' ' A' ' 576' ' ' TYR . 83.4 mt -75.79 -42.64 49.51 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 109.613 -0.514 . . . . 1.11 109.613 173.91 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 541' ' ' GLY . . . . . 0.412 ' HA2' ' SD ' ' A' ' 572' ' ' MET . . . -64.44 -52.75 40.7 Favored Glycine 0 CA--C 1.525 0.709 0 N-CA-C 115.714 1.046 . . . . 0.19 115.714 -178.678 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 542' ' ' LEU . . . . . 0.467 HD13 ' CG1' ' A' ' 612' ' ' ILE . 42.5 mt -57.63 -46.15 99.78 Favored Pre-proline 0 C--N 1.32 -0.68 0 N-CA-C 115.056 1.502 . . . . 1.06 115.056 -168.386 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 543' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_exo -60.1 -26.12 81.64 Favored 'Trans proline' 0 C--N 1.347 0.459 0 C-N-CA 122.059 1.84 . . . . 0.25 113.603 -177.592 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 544' ' ' PHE . . . . . 0.507 ' HB2' ' HE1' ' A' ' 572' ' ' MET . 94.0 m-85 -98.6 -14.78 19.74 Favored 'General case' 0 C--N 1.331 -0.221 0 O-C-N 121.848 -0.533 . . . . 0.38 111.145 177.682 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 545' ' ' GLY . . . . . 0.46 ' O ' ' HA ' ' A' ' 542' ' ' LEU . . . 176.27 152.71 9.86 Favored Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.893 -0.67 . . . . 0.44 111.973 179.744 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 546' ' ' LYS . . . . . . . . . . . . . 7.0 ttpm? -66.31 129.34 39.51 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.024 0.44 . . . . 2.62 111.0 -178.113 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 547' ' ' VAL . . . . . 0.519 HG21 HG23 ' A' ' 538' ' ' ILE . 69.0 t -86.35 116.24 28.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 115.744 -0.662 . . . . 1.05 110.897 179.631 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 548' ' ' THR . . . . . . . . . . . . . 23.5 p -92.83 -36.18 12.99 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.992 -0.549 . . . . 1.11 111.725 179.742 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 549' ' ' ASN . . . . . 0.503 ' HB2' ' CB ' ' A' ' 562' ' ' GLU . 19.6 m120 -143.33 156.19 44.64 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.142 -0.481 . . . . 1.49 110.259 -178.25 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 550' ' ' TYR . . . . . 0.629 ' CG ' HD12 ' A' ' 538' ' ' ILE . 3.3 p90 -161.31 150.59 16.49 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 116.11 -0.496 . . . . 0.96 109.816 178.553 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 551' ' ' ILE . . . . . 0.647 HG21 ' N3 ' ' B' ' 5' ' ' ' U' . 48.0 mt -144.42 123.3 6.68 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 N-CA-C 108.261 -1.015 . . . . 1.1 108.261 -175.778 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 552' ' ' LEU . . . . . 0.516 HD11 ' HA ' ' A' ' 534' ' ' GLU . 30.4 mt -108.78 120.45 42.52 Favored 'General case' 0 C--N 1.315 -0.892 0 C-N-CA 119.72 -0.792 . . . . 1.17 110.314 -179.038 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 553' ' ' MET . . . . . 0.538 ' HA ' " H4'" ' B' ' 5' ' ' ' U' . 64.4 mtm -108.16 82.81 1.69 Allowed 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 108.545 -0.909 . . . . 1.55 108.545 -179.115 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 554' ' ' LYS . . . . . 0.488 ' HD2' ' HB2' ' A' ' 532' ' ' CYS . 11.7 mmtm -53.35 -27.9 26.07 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 114.367 -1.288 . . . . 1.63 112.122 176.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 555' ' ' SER . . . . . . . . . . . . . 65.3 p -69.59 -42.6 74.22 Favored 'General case' 0 N--CA 1.448 -0.526 0 CA-C-O 120.684 0.278 . . . . 0.7 111.518 -174.311 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 556' ' ' THR . . . . . 0.428 ' O ' ' HG3' ' A' ' 558' ' ' GLN . 40.7 p -99.23 5.63 46.61 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 112.535 0.568 . . . . 1.14 112.535 -177.419 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 557' ' ' ASN . . . . . . . . . . . . . 38.1 m-80 59.24 39.12 23.04 Favored 'General case' 0 N--CA 1.471 0.581 0 CA-C-O 121.778 0.799 . . . . 2.03 110.217 -177.411 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 558' ' ' GLN . . . . . 0.428 ' HG3' ' O ' ' A' ' 556' ' ' THR . 76.7 mt-30 -141.21 166.61 24.3 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.033 -0.985 . . . . 1.24 109.873 -175.118 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 559' ' ' ALA . . . . . . . . . . . . . . . -157.39 165.82 34.73 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.351 0.596 . . . . 1.04 111.87 -178.5 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 560' ' ' PHE . . . . . 0.429 ' HB2' ' HB ' ' A' ' 551' ' ' ILE . 90.2 m-85 -120.68 143.76 48.55 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 115.445 -0.798 . . . . 0.46 110.422 176.286 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 561' ' ' LEU . . . . . 0.608 ' O ' ' HB ' ' A' ' 522' ' ' VAL . 64.5 tp -134.52 118.13 16.96 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.052 -0.522 . . . . 1.06 109.913 179.18 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 562' ' ' GLU . . . . . 0.503 ' CB ' ' HB2' ' A' ' 549' ' ' ASN . 0.2 OUTLIER -102.74 136.52 42.42 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.804 -0.635 . . . . 2.09 110.02 179.345 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 563' ' ' MET . . . . . 0.627 ' SD ' ' HA ' ' A' ' 569' ' ' ALA . 31.7 mtt -122.32 163.93 18.82 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 115.525 -0.761 . . . . 1.06 109.839 -169.759 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 564' ' ' ALA . . . . . . . . . . . . . . . -68.23 -41.08 81.77 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.0 0.429 . . . . 1.25 111.368 -173.351 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 565' ' ' TYR . . . . . . . . . . . . . 97.5 m-85 -132.49 146.95 52.32 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.994 -0.548 . . . . 1.39 110.659 -179.009 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 566' ' ' THR . . . . . . . . . . . . . 14.0 t -58.36 -27.38 64.15 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.188 -0.914 . . . . 1.24 111.13 -179.708 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 567' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -59.68 -31.84 69.94 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.031 -0.531 . . . . 0.89 111.367 177.438 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 568' ' ' ALA . . . . . 0.638 ' O ' ' HG3' ' A' ' 572' ' ' MET . . . -73.23 -37.65 66.3 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 109.792 -0.448 . . . . 1.08 109.792 -179.251 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 569' ' ' ALA . . . . . 0.627 ' HA ' ' SD ' ' A' ' 563' ' ' MET . . . -64.06 -45.34 89.19 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.602 -0.727 . . . . 1.0 110.821 -177.333 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 570' ' ' GLN . . . . . 0.599 ' O ' ' HG2' ' A' ' 574' ' ' GLN . 12.2 pt20 -68.91 -38.31 79.51 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.747 -0.661 . . . . 1.72 110.307 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 571' ' ' ALA . . . . . . . . . . . . . . . -62.53 -43.63 98.33 Favored 'General case' 0 N--CA 1.454 -0.229 0 CA-C-N 116.251 -0.431 . . . . 1.08 111.239 -178.389 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 572' ' ' MET . . . . . 0.638 ' HG3' ' O ' ' A' ' 568' ' ' ALA . 36.1 mtt -65.79 -44.29 86.19 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.495 -0.321 . . . . 1.05 110.343 179.569 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 573' ' ' VAL . . . . . 0.617 ' O ' ' HG3' ' A' ' 577' ' ' GLN . 92.8 t -58.9 -46.77 91.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.515 -0.312 . . . . 1.08 110.233 179.244 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 574' ' ' GLN . . . . . 0.599 ' HG2' ' O ' ' A' ' 570' ' ' GLN . 28.8 mm-40 -61.33 -38.48 87.04 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.344 -0.389 . . . . 2.79 110.758 -179.745 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 575' ' ' TYR . . . . . . . . . . . . . 87.0 t80 -68.91 -52.77 25.87 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.967 -0.56 . . . . 1.09 110.869 -178.453 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 576' ' ' TYR . . . . . 0.707 ' HH ' ' HB3' ' A' ' 540' ' ' LEU . 58.7 m-85 -71.86 -13.31 61.63 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 112.725 0.639 . . . . 1.03 112.725 -176.355 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 577' ' ' GLN . . . . . 0.617 ' HG3' ' O ' ' A' ' 573' ' ' VAL . 92.4 mt-30 -67.31 -42.7 83.22 Favored 'General case' 0 C--N 1.326 -0.44 0 C-N-CA 120.458 -0.497 . . . . 2.14 109.995 171.822 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 578' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -91.54 -38.63 12.39 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.125 -0.488 . . . . 2.14 111.229 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 579' ' ' LYS . . . . . 0.544 ' O ' ' HA ' ' A' ' 576' ' ' TYR . 29.9 mtpp -127.84 91.72 44.35 Favored Pre-proline 0 C--N 1.327 -0.379 0 N-CA-C 109.883 -0.414 . . . . 2.95 109.883 175.666 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 580' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.49 160.63 49.05 Favored 'Trans proline' 0 C--O 1.234 0.311 0 C-N-CA 122.717 2.278 . . . . 0.51 112.694 -177.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 581' ' ' ALA . . . . . 0.457 ' HB2' ' CE1' ' A' ' 576' ' ' TYR . . . -91.76 127.95 37.41 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 109.028 -0.73 . . . . 1.09 109.028 175.92 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 582' ' ' ILE . . . . . . . . . . . . . 54.8 mt -101.46 121.69 52.68 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.814 0 CA-C-O 120.971 0.415 . . . . 1.19 111.226 -173.862 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 583' ' ' ILE . . . . . . . . . . . . . 33.2 mm -126.77 116.61 45.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 115.644 -0.707 . . . . 1.21 109.1 176.034 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 584' ' ' ASN . . . . . . . . . . . . . 3.3 m-20 59.15 32.6 22.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.309 0.576 . . . . 1.34 110.246 -179.115 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 585' ' ' GLY . . . . . . . . . . . . . . . 78.91 5.95 88.74 Favored Glycine 0 N--CA 1.445 -0.723 0 CA-C-N 115.629 -0.714 . . . . 0.51 112.975 179.076 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 586' ' ' GLU . . . . . . . . . . . . . 27.1 mt-10 -108.21 127.3 53.71 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 122.533 -0.392 . . . . 1.79 110.47 178.623 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 587' ' ' LYS . . . . . . . . . . . . . 38.1 mmtm -71.42 123.52 22.54 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.598 -0.728 . . . . 2.25 110.615 179.326 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 588' ' ' LEU . . . . . 0.426 HD11 HD11 ' A' ' 540' ' ' LEU . 61.5 mt -79.29 138.27 37.68 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 120.878 0.37 . . . . 1.03 110.787 177.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 589' ' ' LEU . . . . . . . . . . . . . 49.7 tp -112.58 112.53 24.13 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.858 -0.61 . . . . 1.13 110.267 177.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 590' ' ' ILE . . . . . 0.421 HG12 HG12 ' A' ' 524' ' ' ILE . 17.3 mt -100.11 129.1 51.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 N-CA-C 109.811 -0.44 . . . . 1.08 109.811 175.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 591' ' ' ARG . . . . . 0.514 ' HG3' " O5'" ' B' ' 1' ' ' ADN . 12.9 mmm180 -147.02 159.03 44.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.37 -0.377 . . . . 3.18 110.655 -175.792 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 592' ' ' MET . . . . . . . . . . . . . 63.2 mtt -82.34 128.41 34.19 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 109.213 -0.662 . . . . 1.13 109.213 175.217 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 593' ' ' SER . . . . . . . . . . . . . 46.7 t -69.63 135.74 50.31 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.412 0.625 . . . . 1.65 111.365 -176.472 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 594' ' ' THR . . . . . 0.596 HG22 ' C6 ' ' B' ' 1' ' ' ADN . 19.0 p -89.95 -12.66 38.12 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 114.814 -1.085 . . . . 1.14 111.567 -178.832 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 595' ' ' ARG . . . . . . . . . . . . . 95.3 mtt180 -103.43 -30.77 10.36 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 112.626 0.602 . . . . 3.37 112.626 -172.031 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 596' ' ' TYR . . . . . . . . . . . . . 86.2 m-85 -122.89 151.05 42.12 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.194 0.521 . . . . 1.15 111.967 -174.733 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 597' ' ' LYS . . . . . 0.566 ' N ' ' HD2' ' A' ' 597' ' ' LYS . 6.1 mptt -108.05 -24.13 11.71 Favored 'General case' 0 C--O 1.219 -0.514 0 CA-C-N 115.373 -0.83 . . . . 2.63 111.534 -177.366 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 598' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -141.9 150.84 42.04 Favored 'General case' 0 C--N 1.326 -0.444 0 C-N-CA 120.513 -0.475 . . . . 0.95 111.423 -177.024 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 599' ' ' LEU . . . . . 0.529 HD23 HG12 ' A' ' 521' ' ' VAL . 84.9 mt -108.89 125.69 52.27 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.247 -0.888 . . . . 1.18 110.852 176.597 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 600' ' ' GLN . . . . . . . . . . . . . 30.2 tt0 -114.58 125.29 53.61 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.959 -0.564 . . . . 1.65 109.933 177.624 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 601' ' ' LEU . . . . . . . . . . . . . 50.9 mt -75.37 98.61 3.9 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.147 0.498 . . . . 1.23 111.341 -177.843 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 602' ' ' LYS . . . . . . . . . . . . . 95.0 mttt -79.84 -23.72 41.81 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.605 0.717 . . . . 2.22 109.251 173.364 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 603' ' ' LYS . . . . . . . . . . . . . 34.1 mmtp -117.37 131.2 24.16 Favored Pre-proline 0 C--N 1.324 -0.521 0 CA-C-N 114.95 -1.023 . . . . 2.26 109.123 176.379 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 604' ' ' PRO . . . . . . . . . . . . . 59.5 Cg_endo -72.45 169.11 22.53 Favored 'Trans proline' 0 C--O 1.235 0.366 0 C-N-CA 122.463 2.109 . . . . 1.26 112.593 -178.446 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 605' ' ' GLY . . . . . . . . . . . . . . . -146.68 172.47 27.2 Favored Glycine 0 N--CA 1.439 -1.102 0 N-CA-C 111.584 -0.606 . . . . 1.23 111.584 -178.734 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 606' ' ' LYS . . . . . . . . . . . . . 54.6 mtpt -80.78 170.93 15.66 Favored 'General case' 0 C--N 1.318 -0.795 0 N-CA-C 110.274 -0.269 . . . . 3.96 110.274 178.704 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 607' ' ' ASN . . . . . . . . . . . . . 35.2 t30 -58.92 123.18 15.64 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.121 0.486 . . . . 1.8 111.053 175.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 608' ' ' VAL . . . . . 0.514 HG11 ' HB ' ' A' ' 547' ' ' VAL . 93.5 t -77.42 -26.76 15.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 115.688 -0.687 . . . . 1.07 111.406 -176.929 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 609' ' ' ALA . . . . . . . . . . . . . . . -62.83 -35.19 79.11 Favored 'General case' 0 C--O 1.239 0.52 0 CA-C-O 121.586 0.708 . . . . 1.27 110.761 176.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 610' ' ' ALA . . . . . . . . . . . . . . . -64.48 -27.56 69.06 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.515 -0.766 . . . . 1.14 110.028 177.229 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 611' ' ' ILE . . . . . 0.492 ' CD1' HD11 ' A' ' 538' ' ' ILE . 71.4 mt -70.63 -30.29 41.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 115.674 -0.694 . . . . 1.03 109.655 178.944 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 612' ' ' ILE . . . . . 0.467 ' CG1' HD13 ' A' ' 542' ' ' LEU . 60.6 mt -60.84 -43.45 95.57 Favored 'Isoleucine or valine' 0 C--O 1.234 0.251 0 N-CA-C 109.636 -0.505 . . . . 1.11 109.636 172.379 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 613' ' ' GLN . . . . . . . . . . . . . 80.7 mm-40 -63.21 -33.26 75.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.696 -0.684 . . . . 3.02 110.357 176.413 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 614' ' ' ASP . . . . . . . . . . . . . 21.1 m-20 -65.64 -41.87 92.11 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.788 -0.642 . . . . 1.95 110.817 177.408 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 615' ' ' ILE . . . . . 0.441 ' CD1' ' HB2' ' A' ' 542' ' ' LEU . 85.0 mt -63.34 -46.5 95.34 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-O 120.989 0.424 . . . . 1.08 110.563 178.667 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 616' ' ' HIS . . . . . . . . . . . . . 13.6 m-70 -63.29 -33.21 75.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.812 -0.631 . . . . 1.73 110.83 178.183 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 617' ' ' SER . . . . . 0.477 ' HB3' ' H ' ' A' ' 621' ' ' ARG . 69.0 m -69.67 -25.12 63.74 Favored 'General case' 0 N--CA 1.451 -0.38 0 CA-C-N 116.304 -0.407 . . . . 1.77 110.707 178.53 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 618' ' ' GLN . . . . . . . . . . . . . 51.2 mt-30 67.07 -75.31 0.06 Allowed 'General case' 0 N--CA 1.468 0.438 0 C-N-CA 123.427 0.691 . . . . 5.45 111.557 176.185 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 619' ' ' ARG . . . . . . . . . . . . . 55.3 mtm180 -128.01 58.18 1.53 Allowed 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 109.411 -0.588 . . . . 8.54 109.411 177.328 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 620' ' ' GLU . . . . . . . . . . . . . 15.4 mm-40 57.66 62.78 2.01 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.189 -0.914 . . . . 7.92 111.192 -179.331 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 621' ' ' ARG . . . . . 0.477 ' H ' ' HB3' ' A' ' 617' ' ' SER . 59.6 ttp180 . . . . . 0 C--O 1.246 0.911 0 CA-C-O 118.544 -0.741 . . . . 11.52 109.611 175.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 1' ' ' ADN . . . . . 0.496 " H4'" " O5'" ' B' ' 2' ' ' ' U' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 2' ' ' ' U' . . . . . 0.496 " O5'" " H4'" ' B' ' 1' ' ' ADN . . . . . . . . 0 O5'--C5' 1.427 -0.839 0 C3'-C2'-C1' 100.499 -1.112 . 0.0 '__' . 2.99 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 3' ' ' ' C' . . . . . 0.403 " H4'" ' CZ ' ' A' ' 560' ' ' PHE . . . . . . . . 0 O5'--C5' 1.426 -0.894 0 C3'-C2'-C1' 100.029 -1.634 . 0.0 OUTLIER . 1.58 . . . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 4' ' ' ' U' . . . . . 0.405 " H4'" ' HE2' ' A' ' 553' ' ' MET . . . . . . . . 0 O5'--C5' 1.424 -1.014 0 C3'-C2'-C1' 100.787 -0.792 . 0.0 OUTLIER . 1.21 . . . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 5' ' ' ' U' . . . . . 0.716 " H4'" ' HA ' ' A' ' 553' ' ' MET . . . . . . . . 0 O5'--C5' 1.424 -0.987 0 C4'-C3'-C2' 104.232 1.532 . 0.0 OUTLIER alpha 1.33 . . . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 6' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.842 0 C3'-C2'-C1' 100.755 -0.828 . 0.0 OUTLIER gamma 4.58 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 510' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.763 0 N-CA-C 111.881 -0.488 . . . . 9.27 111.881 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 511' ' ' ALA . . . . . . . . . . . . . . . -86.93 123.22 31.81 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.962 0.41 . . . . 6.96 111.086 -177.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 512' ' ' MET . . . . . . . . . . . . . 27.1 ptm -94.66 -7.49 40.62 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.969 -0.559 . . . . 6.68 110.567 -179.522 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 513' ' ' ALA . . . . . . . . . . . . . . . -74.02 71.28 1.58 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.481 0.658 . . . . 4.66 110.675 177.739 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 514' ' ' GLN . . . . . 0.45 ' OE1' ' HE3' ' A' ' 597' ' ' LYS . 75.3 mt-30 -107.2 -176.57 3.11 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.558 -0.746 . . . . 2.88 110.13 -178.937 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 515' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -59.31 -69.69 0.19 Allowed 'General case' 0 C--N 1.327 -0.4 0 O-C-N 123.215 0.322 . . . . 4.64 110.477 176.659 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 516' ' ' LYS . . . . . . . . . . . . . 75.1 mmtt 54.39 50.44 16.22 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-N 115.851 -0.613 . . . . 2.38 110.863 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 517' ' ' GLY . . . . . . . . . . . . . . . -125.84 -80.06 0.36 Allowed Glycine 0 N--CA 1.449 -0.456 0 N-CA-C 111.335 -0.706 . . . . 2.04 111.335 177.444 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 518' ' ' ALA . . . . . . . . . . . . . . . -81.75 61.02 4.93 Favored 'General case' 0 C--O 1.236 0.362 0 CA-C-O 121.635 0.731 . . . . 1.94 109.882 175.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 519' ' ' GLY . . . . . . . . . . . . . . . 128.92 108.19 1.36 Allowed Glycine 0 N--CA 1.443 -0.85 0 N-CA-C 110.271 -1.131 . . . . 0.98 110.271 -171.859 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 520' ' ' ARG . . . . . . . . . . . . . 32.3 mtm-85 -129.63 131.38 46.43 Favored 'General case' 0 C--N 1.324 -0.542 0 C-N-CA 120.382 -0.527 . . . . 2.86 110.323 179.31 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 521' ' ' VAL . . . . . 0.687 ' HB ' ' OG ' ' A' ' 593' ' ' SER . 62.2 t -118.41 124.55 73.3 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.664 0 CA-C-N 116.076 -0.511 . . . . 1.14 110.404 170.185 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 522' ' ' VAL . . . . . 0.593 ' HB ' ' O ' ' A' ' 561' ' ' LEU . 23.2 t -120.83 121.7 65.88 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.777 0 N-CA-C 107.538 -1.282 . . . . 1.05 107.538 170.938 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 523' ' ' HIS . . . . . . . . . . . . . 51.4 t-80 -105.89 133.69 50.21 Favored 'General case' 0 C--N 1.323 -0.584 0 O-C-N 121.791 -0.568 . . . . 0.57 110.87 -172.904 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 524' ' ' ILE . . . . . 0.4 HG12 HG12 ' A' ' 590' ' ' ILE . 32.6 mt -111.16 140.04 32.29 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.754 0 N-CA-C 108.738 -0.838 . . . . 1.06 108.738 177.906 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 525' ' ' CYS . . . . . 0.446 ' SG ' ' HG2' ' A' ' 558' ' ' GLN . 38.1 t -134.25 161.24 35.48 Favored 'General case' 0 C--N 1.314 -0.948 0 C-N-CA 120.811 -0.356 . . . . 1.75 111.185 -174.768 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 526' ' ' ASN . . . . . 0.413 ' HB2' ' O ' ' A' ' 525' ' ' CYS . 80.2 m-20 84.64 28.9 0.06 Allowed 'General case' 0 N--CA 1.468 0.454 0 O-C-N 124.663 1.227 . . . . 0.28 111.228 172.042 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 527' ' ' LEU . . . . . 0.456 ' O ' ' HB3' ' A' ' 557' ' ' ASN . 83.9 mt -81.66 125.44 78.22 Favored Pre-proline 0 C--N 1.324 -0.537 0 N-CA-C 108.638 -0.875 . . . . 1.04 108.638 178.461 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 528' ' ' PRO . . . . . . . . . . . . . 9.5 Cg_exo -69.05 135.42 32.11 Favored 'Trans proline' 0 N--CA 1.458 -0.594 0 C-N-CA 121.4 1.4 . . . . 0.5 111.547 -178.717 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 529' ' ' GLU . . . . . 0.428 ' HB2' ' OD1' ' A' ' 557' ' ' ASN . 33.2 tt0 -65.37 136.18 56.21 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 109.378 -0.601 . . . . 1.6 109.378 176.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 530' ' ' GLY . . . . . . . . . . . . . . . 84.71 4.47 87.4 Favored Glycine 0 N--CA 1.446 -0.651 0 C-N-CA 119.919 -1.134 . . . . 0.52 110.933 -172.796 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 531' ' ' SER . . . . . . . . . . . . . 19.5 m -142.08 4.07 1.62 Allowed 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.425 0.631 . . . . 1.49 109.684 -175.814 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 532' ' ' CYS . . . . . . . . . . . . . 85.3 m -89.19 86.9 6.97 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.683 -0.689 . . . . 0.25 109.466 -178.577 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 533' ' ' THR . . . . . 0.475 ' O ' HG23 ' A' ' 537' ' ' VAL . 26.8 p -107.67 152.96 23.61 Favored 'General case' 0 C--N 1.319 -0.757 0 N-CA-C 108.875 -0.787 . . . . 1.1 108.875 179.892 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 534' ' ' GLU . . . . . 0.565 ' HA ' HD12 ' A' ' 552' ' ' LEU . 12.2 mp0 -64.61 -32.82 74.65 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-O 121.228 0.537 . . . . 1.64 109.73 178.926 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 535' ' ' ASN . . . . . . . . . . . . . 10.6 m120 -62.92 -48.1 80.41 Favored 'General case' 0 C--O 1.218 -0.575 0 CA-C-N 115.275 -0.875 . . . . 1.86 111.657 -179.508 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 536' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -67.2 -45.94 75.38 Favored 'General case' 0 N--CA 1.47 0.57 0 CA-C-O 121.744 0.783 . . . . 0.61 110.89 -172.72 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 537' ' ' VAL . . . . . 0.475 HG23 ' O ' ' A' ' 533' ' ' THR . 27.9 t -62.23 -49.03 85.67 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.753 0 CA-C-N 114.459 -1.246 . . . . 1.03 110.428 -176.467 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 538' ' ' ILE . . . . . 0.644 HD12 ' CG ' ' A' ' 550' ' ' TYR . 58.7 mt -68.92 -34.36 63.87 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.745 0 CA-C-N 115.607 -0.724 . . . . 1.06 111.56 177.219 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 539' ' ' ASN . . . . . 0.494 ' HA ' HD11 ' A' ' 615' ' ' ILE . 9.2 m120 -59.12 -25.45 63.86 Favored 'General case' 0 CA--C 1.516 -0.346 0 C-N-CA 120.958 -0.297 . . . . 0.25 110.486 176.91 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 540' ' ' LEU . . . . . 0.45 HD11 HD12 ' A' ' 588' ' ' LEU . 95.3 mt -75.13 -41.5 58.26 Favored 'General case' 0 C--N 1.322 -0.616 0 C-N-CA 120.645 -0.422 . . . . 1.11 110.061 172.824 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 541' ' ' GLY . . . . . 0.408 ' HA2' ' SD ' ' A' ' 572' ' ' MET . . . -66.48 -51.51 41.95 Favored Glycine 0 CA--C 1.525 0.691 0 N-CA-C 115.62 1.008 . . . . 0.19 115.62 -179.349 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 542' ' ' LEU . . . . . 0.478 ' HA ' ' O ' ' A' ' 545' ' ' GLY . 75.6 mt -59.57 -43.17 95.24 Favored Pre-proline 0 C--N 1.319 -0.725 0 N-CA-C 115.303 1.594 . . . . 1.06 115.303 -168.243 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 543' ' ' PRO . . . . . 0.422 ' HG3' HD12 ' A' ' 615' ' ' ILE . 50.7 Cg_exo -60.63 -22.49 72.87 Favored 'Trans proline' 0 CA--C 1.534 0.477 0 C-N-CA 121.706 1.604 . . . . 0.25 113.638 -179.377 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 544' ' ' PHE . . . . . . . . . . . . . 96.7 m-85 -103.4 -15.89 15.77 Favored 'General case' 0 C--O 1.233 0.213 0 N-CA-C 112.146 0.425 . . . . 0.38 112.146 178.361 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 545' ' ' GLY . . . . . 0.478 ' O ' ' HA ' ' A' ' 542' ' ' LEU . . . -173.03 -179.5 43.76 Favored Glycine 0 C--O 1.224 -0.506 0 C-N-CA 120.353 -0.927 . . . . 0.44 112.394 -176.05 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 546' ' ' LYS . . . . . . . . . . . . . 26.6 ttpp -96.05 122.88 39.35 Favored 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 109.889 -0.412 . . . . 2.62 109.889 -177.297 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 547' ' ' VAL . . . . . 0.553 ' HB ' HG12 ' A' ' 608' ' ' VAL . 71.6 t -89.96 115.46 29.51 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 CA-C-N 116.491 -0.322 . . . . 1.05 110.78 179.348 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 548' ' ' THR . . . . . . . . . . . . . 21.1 p -95.58 -37.68 10.74 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 112.182 0.438 . . . . 1.11 112.182 178.283 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 549' ' ' ASN . . . . . . . . . . . . . 4.1 m-20 -141.43 158.71 43.51 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.962 -0.563 . . . . 1.49 109.785 -178.019 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 550' ' ' TYR . . . . . 0.644 ' CG ' HD12 ' A' ' 538' ' ' ILE . 3.5 p90 -161.83 152.46 17.59 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 116.02 -0.536 . . . . 0.96 109.648 -179.377 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 551' ' ' ILE . . . . . 0.437 HG21 ' N3 ' ' B' ' 5' ' ' ' U' . 41.0 mt -144.16 126.59 11.06 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 N-CA-C 107.684 -1.228 . . . . 1.1 107.684 -179.679 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 552' ' ' LEU . . . . . 0.565 HD12 ' HA ' ' A' ' 534' ' ' GLU . 21.2 mt -106.68 129.06 54.64 Favored 'General case' 0 C--N 1.309 -1.186 0 C-N-CA 118.967 -1.093 . . . . 1.17 110.286 -179.623 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 553' ' ' MET . . . . . 0.716 ' HA ' " H4'" ' B' ' 5' ' ' ' U' . 32.1 mtp -104.4 80.14 1.66 Allowed 'General case' 0 C--N 1.32 -0.686 0 N-CA-C 108.317 -0.994 . . . . 1.55 108.317 -178.446 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 554' ' ' LYS . . . . . . . . . . . . . 24.2 mmtp -54.27 -28.68 43.43 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 114.939 -1.028 . . . . 1.63 112.866 176.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 555' ' ' SER . . . . . . . . . . . . . 62.7 p -69.59 -44.62 70.41 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 111.964 0.357 . . . . 0.7 111.964 -175.183 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 556' ' ' THR . . . . . . . . . . . . . 45.3 p -102.54 7.9 40.0 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 112.548 0.573 . . . . 1.14 112.548 -174.294 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 557' ' ' ASN . . . . . 0.456 ' HB3' ' O ' ' A' ' 527' ' ' LEU . 87.0 m-20 58.96 39.84 23.15 Favored 'General case' 0 N--CA 1.467 0.419 0 CA-C-O 121.721 0.772 . . . . 2.03 110.432 -177.311 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 558' ' ' GLN . . . . . 0.446 ' HG2' ' SG ' ' A' ' 525' ' ' CYS . 79.2 mt-30 -137.99 169.56 17.57 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 114.924 -1.035 . . . . 1.24 109.567 -176.498 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 559' ' ' ALA . . . . . . . . . . . . . . . -158.62 166.75 31.32 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.49 0.662 . . . . 1.04 112.751 179.339 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 560' ' ' PHE . . . . . 0.432 ' HB2' ' HB ' ' A' ' 551' ' ' ILE . 94.9 m-85 -118.47 142.62 47.39 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.202 -0.908 . . . . 0.46 110.223 175.599 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 561' ' ' LEU . . . . . 0.593 ' O ' ' HB ' ' A' ' 522' ' ' VAL . 60.5 tp -134.51 119.39 18.42 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.858 -0.61 . . . . 1.06 109.801 179.746 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 562' ' ' GLU . . . . . 0.435 ' HB2' HD13 ' A' ' 599' ' ' LEU . 30.6 tt0 -99.82 122.93 43.51 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 121.427 0.632 . . . . 2.09 110.281 178.801 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 563' ' ' MET . . . . . 0.651 ' SD ' ' HA ' ' A' ' 569' ' ' ALA . 31.1 mtt -107.96 162.27 14.18 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-N 115.072 -0.967 . . . . 1.06 109.235 -178.674 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 564' ' ' ALA . . . . . . . . . . . . . . . -60.35 -44.98 95.05 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 117.999 0.363 . . . . 1.25 111.795 -172.898 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 565' ' ' TYR . . . . . . . . . . . . . 77.3 m-85 -138.37 162.94 33.13 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.313 -0.403 . . . . 1.39 111.524 -175.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 566' ' ' THR . . . . . . . . . . . . . 13.4 t -60.97 -28.17 68.8 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.729 -0.669 . . . . 1.24 110.612 -179.512 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 567' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -61.89 -32.99 73.41 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.812 -0.631 . . . . 0.89 111.22 -179.749 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 568' ' ' ALA . . . . . 0.66 ' O ' ' HG3' ' A' ' 572' ' ' MET . . . -73.66 -41.73 62.31 Favored 'General case' 0 N--CA 1.45 -0.448 0 N-CA-C 109.495 -0.558 . . . . 1.08 109.495 179.412 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 569' ' ' ALA . . . . . 0.651 ' HA ' ' SD ' ' A' ' 563' ' ' MET . . . -65.1 -45.13 86.43 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.318 -0.856 . . . . 1.0 111.378 -176.199 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 570' ' ' GLN . . . . . 0.422 ' O ' ' HG3' ' A' ' 574' ' ' GLN . 20.5 pt20 -68.01 -37.07 80.99 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.307 -0.406 . . . . 1.72 110.382 -178.363 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 571' ' ' ALA . . . . . . . . . . . . . . . -62.3 -44.93 95.39 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.203 -0.453 . . . . 1.08 110.802 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 572' ' ' MET . . . . . 0.66 ' HG3' ' O ' ' A' ' 568' ' ' ALA . 28.0 mtt -68.99 -40.66 78.64 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.07 -0.514 . . . . 1.05 110.537 -178.48 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 573' ' ' VAL . . . . . 0.558 HG22 ' O ' ' A' ' 569' ' ' ALA . 91.4 t -59.77 -46.46 93.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.902 0.382 . . . . 1.08 110.079 177.302 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 574' ' ' GLN . . . . . 0.422 ' HG3' ' O ' ' A' ' 570' ' ' GLN . 28.6 mt-30 -61.19 -38.37 86.28 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.193 -0.458 . . . . 2.79 110.859 178.888 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 575' ' ' TYR . . . . . . . . . . . . . 71.6 t80 -70.5 -53.96 14.16 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.086 -0.506 . . . . 1.09 110.993 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 576' ' ' TYR . . . . . 0.454 ' CE1' ' HB1' ' A' ' 581' ' ' ALA . 80.0 m-85 -74.75 -14.17 60.68 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 113.246 0.832 . . . . 1.03 113.246 -172.774 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 577' ' ' GLN . . . . . 0.48 ' HG3' ' O ' ' A' ' 573' ' ' VAL . 25.3 mt-30 -74.36 -40.61 62.02 Favored 'General case' 0 C--N 1.323 -0.568 0 C-N-CA 120.077 -0.649 . . . . 2.14 109.889 173.326 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 578' ' ' GLU . . . . . . . . . . . . . 8.3 mm-40 -86.39 -37.55 18.28 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.147 -0.479 . . . . 2.14 110.949 178.872 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 579' ' ' LYS . . . . . 0.542 ' HZ1' ' HB3' ' A' ' 579' ' ' LYS . 9.5 mtpm? -128.55 87.1 55.95 Favored Pre-proline 0 C--N 1.326 -0.445 0 N-CA-C 109.955 -0.387 . . . . 2.95 109.955 175.483 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 580' ' ' PRO . . . . . . . . . . . . . 32.8 Cg_endo -64.09 160.2 39.19 Favored 'Trans proline' 0 C--O 1.233 0.273 0 C-N-CA 122.638 2.225 . . . . 0.51 112.243 -179.503 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 581' ' ' ALA . . . . . 0.454 ' HB1' ' CE1' ' A' ' 576' ' ' TYR . . . -91.4 134.69 34.41 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.194 -0.457 . . . . 1.09 110.006 -179.428 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 582' ' ' ILE . . . . . . . . . . . . . 47.0 mt -103.04 118.59 50.22 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.799 0 CA-C-O 120.842 0.353 . . . . 1.19 111.219 -175.8 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 583' ' ' ILE . . . . . . . . . . . . . 36.2 mm -125.91 112.04 29.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 N-CA-C 109.534 -0.543 . . . . 1.21 109.534 173.413 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 584' ' ' ASN . . . . . . . . . . . . . 94.8 m-20 50.58 42.6 27.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.868 0.842 . . . . 1.34 111.119 -179.885 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 585' ' ' GLY . . . . . . . . . . . . . . . 83.4 1.48 90.28 Favored Glycine 0 N--CA 1.445 -0.752 0 CA-C-N 114.628 -1.169 . . . . 0.51 114.392 175.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 586' ' ' GLU . . . . . . . . . . . . . 30.6 mm-40 -100.83 125.61 47.36 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 118.041 0.921 . . . . 1.79 111.134 177.395 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 587' ' ' LYS . . . . . . . . . . . . . 44.7 mmtm -74.55 115.21 13.83 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-N 115.538 -0.755 . . . . 2.25 110.175 171.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 588' ' ' LEU . . . . . 0.45 HD12 HD11 ' A' ' 540' ' ' LEU . 54.8 mt -83.58 141.2 31.75 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 120.812 0.339 . . . . 1.03 111.156 -178.242 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 589' ' ' LEU . . . . . . . . . . . . . 58.1 tp -112.87 112.08 23.31 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.833 -0.622 . . . . 1.13 110.901 -179.149 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 590' ' ' ILE . . . . . 0.413 HD11 ' CD2' ' A' ' 576' ' ' TYR . 17.7 mt -103.07 120.94 53.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 N-CA-C 110.015 -0.365 . . . . 1.08 110.015 175.459 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 591' ' ' ARG . . . . . . . . . . . . . 74.6 mtp180 -146.91 165.55 29.43 Favored 'General case' 0 N--CA 1.462 0.151 0 CA-C-O 120.895 0.378 . . . . 3.18 110.413 -176.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 592' ' ' MET . . . . . . . . . . . . . 53.2 mtt -82.34 151.14 26.83 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.228 -0.442 . . . . 1.13 110.699 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 593' ' ' SER . . . . . 0.687 ' OG ' ' HB ' ' A' ' 521' ' ' VAL . 58.3 p -83.52 129.73 34.98 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.856 -0.611 . . . . 1.65 111.737 -176.696 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 594' ' ' THR . . . . . 0.486 HG22 ' N7 ' ' B' ' 1' ' ' ADN . 18.6 p -91.64 -17.83 24.93 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.999 -0.546 . . . . 1.14 111.875 175.388 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 595' ' ' ARG . . . . . . . . . . . . . 44.7 mtp180 -102.99 -29.99 11.06 Favored 'General case' 0 CA--C 1.533 0.298 0 N-CA-C 112.921 0.711 . . . . 3.37 112.921 -171.42 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 596' ' ' TYR . . . . . . . . . . . . . 30.3 m-85 -125.26 145.6 49.92 Favored 'General case' 0 N--CA 1.468 0.435 0 N-CA-C 112.256 0.465 . . . . 1.15 112.256 -176.662 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 597' ' ' LYS . . . . . 0.45 ' HE3' ' OE1' ' A' ' 514' ' ' GLN . 37.1 mmtm -109.02 -11.27 14.98 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.711 -0.677 . . . . 2.63 112.456 -179.676 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 598' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -142.26 150.26 40.66 Favored 'General case' 0 C--N 1.324 -0.512 0 C-N-CA 120.237 -0.585 . . . . 0.95 111.396 -174.093 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 599' ' ' LEU . . . . . 0.476 HD23 HG13 ' A' ' 521' ' ' VAL . 58.0 mt -115.01 121.52 43.38 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.168 -0.924 . . . . 1.18 110.625 176.549 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 600' ' ' GLN . . . . . . . . . . . . . 29.4 tt0 -111.96 123.34 50.04 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.702 -0.681 . . . . 1.65 109.713 178.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 601' ' ' LEU . . . . . . . . . . . . . 93.7 mt -76.93 92.58 3.68 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.627 -0.261 . . . . 1.23 111.416 -176.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 602' ' ' LYS . . . . . . . . . . . . . 67.2 mttm -66.18 -32.43 73.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.338 0.59 . . . . 2.22 109.502 172.762 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 603' ' ' LYS . . . . . . . . . . . . . 74.6 mmtt -113.13 141.81 26.3 Favored Pre-proline 0 C--N 1.324 -0.509 0 CA-C-N 115.289 -0.869 . . . . 2.26 109.283 179.557 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 604' ' ' PRO . . . . . . . . . . . . . 17.2 Cg_exo -65.48 157.66 57.01 Favored 'Trans proline' 0 C--O 1.235 0.342 0 C-N-CA 122.477 2.118 . . . . 1.26 111.796 177.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 605' ' ' GLY . . . . . . . . . . . . . . . -122.43 -178.45 15.61 Favored Glycine 0 N--CA 1.438 -1.169 0 C-N-CA 120.989 -0.624 . . . . 1.23 111.939 -177.12 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 606' ' ' LYS . . . . . . . . . . . . . 81.4 mttt -107.24 163.07 13.33 Favored 'General case' 0 C--N 1.31 -1.119 0 CA-C-N 114.867 -0.666 . . . . 3.96 109.274 179.689 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 607' ' ' ASN . . . . . . . . . . . . . 25.8 t30 -58.16 121.32 10.41 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.966 0.412 . . . . 1.8 110.303 169.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 608' ' ' VAL . . . . . 0.553 HG12 ' HB ' ' A' ' 547' ' ' VAL . 69.3 t -86.31 -25.87 6.33 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-N 115.809 -0.632 . . . . 1.07 111.069 -176.132 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 609' ' ' ALA . . . . . . . . . . . . . . . -59.53 -33.68 71.69 Favored 'General case' 0 C--O 1.237 0.416 0 CA-C-O 121.371 0.605 . . . . 1.27 110.478 175.226 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 610' ' ' ALA . . . . . . . . . . . . . . . -65.39 -30.32 71.13 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.778 -0.646 . . . . 1.14 110.13 176.631 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 611' ' ' ILE . . . . . 0.444 ' O ' ' HB2' ' A' ' 614' ' ' ASP . 76.8 mt -70.77 -29.49 38.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 115.65 -0.704 . . . . 1.03 109.801 179.416 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 612' ' ' ILE . . . . . 0.448 ' CG1' HD12 ' A' ' 542' ' ' LEU . 64.1 mt -61.02 -40.67 86.39 Favored 'Isoleucine or valine' 0 C--O 1.235 0.291 0 CA-C-O 121.279 0.561 . . . . 1.11 109.611 171.316 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 613' ' ' GLN . . . . . . . . . . . . . 23.5 mt-30 -64.08 -30.19 71.28 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.392 -0.822 . . . . 3.02 110.483 177.262 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 614' ' ' ASP . . . . . 0.444 ' HB2' ' O ' ' A' ' 611' ' ' ILE . 2.5 m-20 -64.86 -44.86 88.37 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-N 115.936 -0.575 . . . . 1.95 110.161 177.253 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 615' ' ' ILE . . . . . 0.494 HD11 ' HA ' ' A' ' 539' ' ' ASN . 81.1 mt -65.05 -43.13 95.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 115.899 -0.591 . . . . 1.08 110.323 178.538 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 616' ' ' HIS . . . . . . . . . . . . . 51.5 m170 -64.08 -37.82 88.82 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.558 -0.746 . . . . 1.73 111.392 179.805 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 617' ' ' SER . . . . . 0.406 ' O ' ' HB2' ' A' ' 618' ' ' GLN . 26.1 m -70.98 -23.11 62.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.51 -0.313 . . . . 1.77 110.498 176.424 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 618' ' ' GLN . . . . . 0.406 ' HB2' ' O ' ' A' ' 617' ' ' SER . 55.9 mt-30 74.57 163.09 0.26 Allowed 'General case' 0 N--CA 1.463 0.219 0 CA-C-N 115.214 -0.903 . . . . 5.45 110.869 -179.271 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 619' ' ' ARG . . . . . . . . . . . . . 70.7 mtp180 -132.55 88.12 2.49 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 115.816 -0.629 . . . . 8.54 109.829 178.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 620' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -124.89 148.83 48.1 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.695 -0.684 . . . . 7.92 110.301 -177.573 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 621' ' ' ARG . . . . . . . . . . . . . 8.5 tpt180 . . . . . 0 C--O 1.249 1.038 0 CA-C-O 118.692 -0.671 . . . . 11.52 109.54 178.687 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 1' ' ' ADN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 2' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.861 0 C3'-C2'-C1' 100.038 -1.625 . 0.0 '__' . 2.99 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 3' ' ' ' C' . . . . . 0.586 ' O2 ' ' HB3' ' A' ' 593' ' ' SER . . . . . . . . 0 O5'--C5' 1.425 -0.946 0 C3'-C2'-C1' 100.227 -1.414 . 0.145 2[ . 1.58 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 4' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.823 0 C3'-C2'-C1' 99.939 -1.735 . 0.0 OUTLIER . 1.21 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 5' ' ' ' U' . . . . . 0.566 " H4'" ' HA ' ' A' ' 553' ' ' MET . . . . . . . . 0 O5'--C5' 1.425 -0.966 0 C4'-C3'-C2' 104.301 1.601 . 0.0 OUTLIER alpha 1.33 . . . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 6' ' ' ' A' . . . . . 0.492 ' H2 ' " O5'" ' B' ' 5' ' ' ' U' . . . . . . . . 0 O5'--C5' 1.426 -0.901 0 O4'-C1'-N19 109.271 1.071 . 0.247 2[ . 4.58 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 510' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.741 0 N-CA-C 111.954 -0.459 . . . . 9.27 111.954 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 511' ' ' ALA . . . . . . . . . . . . . . . -80.85 112.5 18.29 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.98 0.419 . . . . 6.96 110.639 179.818 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 512' ' ' MET . . . . . . . . . . . . . 16.1 ptp -86.53 166.78 15.18 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.165 -0.471 . . . . 6.68 110.685 -179.327 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 513' ' ' ALA . . . . . . . . . . . . . . . 65.82 16.83 10.65 Favored 'General case' 0 N--CA 1.466 0.343 0 O-C-N 123.721 0.638 . . . . 4.66 111.567 -179.364 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 514' ' ' GLN . . . . . . . . . . . . . 14.5 mm100 -108.01 166.78 10.47 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.231 -0.441 . . . . 2.88 110.406 179.807 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 515' ' ' ARG . . . . . . . . . . . . . 92.5 mtt180 -109.58 148.42 31.31 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.188 -0.46 . . . . 4.64 109.948 -179.034 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 516' ' ' LYS . . . . . . . . . . . . . 33.8 mmtp -129.16 -18.16 3.73 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.18 -0.464 . . . . 2.38 110.624 -178.859 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 517' ' ' GLY . . . . . . . . . . . . . . . -68.18 -74.79 0.56 Allowed Glycine 0 N--CA 1.449 -0.489 0 C-N-CA 121.069 -0.586 . . . . 2.04 112.536 -177.724 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 518' ' ' ALA . . . . . . . . . . . . . . . -96.57 53.54 1.28 Allowed 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.069 0.461 . . . . 1.94 110.776 -179.378 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 519' ' ' GLY . . . . . . . . . . . . . . . 142.12 137.03 3.31 Favored Glycine 0 N--CA 1.447 -0.609 0 C-N-CA 120.833 -0.699 . . . . 0.98 112.234 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 520' ' ' ARG . . . . . . . . . . . . . 42.8 mtm-85 -141.37 134.14 28.76 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 109.6 -0.518 . . . . 2.86 109.6 173.113 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 521' ' ' VAL . . . . . 0.491 HG12 HD22 ' A' ' 599' ' ' LEU . 56.8 t -117.07 121.19 67.21 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.703 0 CA-C-O 120.99 0.424 . . . . 1.14 111.233 174.406 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 522' ' ' VAL . . . . . 0.493 ' HB ' ' O ' ' A' ' 561' ' ' LEU . 25.3 t -121.04 121.57 65.35 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.815 0 N-CA-C 107.942 -1.133 . . . . 1.05 107.942 175.657 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 523' ' ' HIS . . . . . 0.402 ' HD2' ' CZ ' ' A' ' 560' ' ' PHE . 58.9 t-80 -106.18 135.28 47.93 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.01 0.433 . . . . 0.57 110.056 -175.221 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 524' ' ' ILE . . . . . 0.429 HG12 HG12 ' A' ' 590' ' ' ILE . 33.3 mt -111.18 138.93 37.47 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.929 0 N-CA-C 108.45 -0.944 . . . . 1.06 108.45 177.713 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 525' ' ' CYS . . . . . 0.43 ' O ' ' HB2' ' A' ' 526' ' ' ASN . 0.0 OUTLIER -132.24 157.9 43.17 Favored 'General case' 0 C--N 1.318 -0.79 0 C-N-CA 120.873 -0.331 . . . . 1.75 111.033 -171.294 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 526' ' ' ASN . . . . . 0.43 ' HB2' ' O ' ' A' ' 525' ' ' CYS . 83.3 m-20 82.6 30.18 0.1 Allowed 'General case' 0 N--CA 1.469 0.495 0 O-C-N 124.447 1.092 . . . . 0.28 110.824 172.868 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 527' ' ' LEU . . . . . . . . . . . . . 81.8 mt -85.73 123.69 72.06 Favored Pre-proline 0 C--N 1.319 -0.723 0 N-CA-C 108.386 -0.968 . . . . 1.04 108.386 176.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 528' ' ' PRO . . . . . . . . . . . . . 7.6 Cg_exo -71.54 131.81 19.42 Favored 'Trans proline' 0 N--CA 1.456 -0.689 0 C-N-CA 121.039 1.159 . . . . 0.5 111.259 -178.425 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 529' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -65.85 138.51 57.93 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 109.524 -0.547 . . . . 1.6 109.524 177.794 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 530' ' ' GLY . . . . . . . . . . . . . . . 87.66 3.13 81.12 Favored Glycine 0 N--CA 1.443 -0.835 0 C-N-CA 120.185 -1.007 . . . . 0.52 110.596 -173.435 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 531' ' ' SER . . . . . . . . . . . . . 55.5 m -147.5 8.19 0.89 Allowed 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.186 -0.507 . . . . 1.49 109.817 -178.596 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 532' ' ' CYS . . . . . 0.434 ' HB2' ' HD2' ' A' ' 554' ' ' LYS . 70.0 m -89.88 86.11 6.55 Favored 'General case' 0 CA--C 1.516 -0.354 0 N-CA-C 108.764 -0.828 . . . . 0.25 108.764 179.013 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 533' ' ' THR . . . . . 0.421 ' O ' HG21 ' A' ' 537' ' ' VAL . 34.0 p -96.83 152.22 18.9 Favored 'General case' 0 C--N 1.317 -0.807 0 N-CA-C 108.889 -0.782 . . . . 1.1 108.889 -178.585 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 534' ' ' GLU . . . . . 0.536 ' HA ' HD12 ' A' ' 552' ' ' LEU . 15.5 mp0 -64.98 -33.8 76.91 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-O 121.602 0.715 . . . . 1.64 109.106 176.445 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 535' ' ' ASN . . . . . . . . . . . . . 61.7 t30 -65.46 -48.14 73.71 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 114.561 -1.199 . . . . 1.86 111.277 -176.364 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 536' ' ' ASP . . . . . . . . . . . . . 39.5 m-20 -69.35 -45.66 68.89 Favored 'General case' 0 N--CA 1.476 0.85 0 CA-C-O 121.293 0.568 . . . . 0.61 111.475 -172.808 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 537' ' ' VAL . . . . . 0.421 HG21 ' O ' ' A' ' 533' ' ' THR . 44.3 t -59.63 -48.48 87.25 Favored 'Isoleucine or valine' 0 C--O 1.243 0.714 0 CA-C-N 114.862 -1.063 . . . . 1.03 110.024 -178.087 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 538' ' ' ILE . . . . . 0.737 HD13 ' CG ' ' A' ' 550' ' ' TYR . 33.0 mt -69.04 -32.54 54.73 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.894 0 CA-C-N 115.32 -0.855 . . . . 1.06 111.611 176.139 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 539' ' ' ASN . . . . . 0.417 ' HA ' HD11 ' A' ' 615' ' ' ILE . 10.2 m120 -57.94 -25.59 61.13 Favored 'General case' 0 CA--C 1.516 -0.344 0 N-CA-C 109.804 -0.443 . . . . 0.25 109.804 175.398 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 540' ' ' LEU . . . . . . . . . . . . . 89.7 mt -75.02 -42.59 57.02 Favored 'General case' 0 N--CA 1.45 -0.455 0 N-CA-C 109.874 -0.417 . . . . 1.11 109.874 173.604 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 541' ' ' GLY . . . . . 0.595 ' HA2' ' SD ' ' A' ' 572' ' ' MET . . . -69.25 -52.37 22.85 Favored Glycine 0 CA--C 1.525 0.712 0 N-CA-C 115.66 1.024 . . . . 0.19 115.66 -178.366 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 542' ' ' LEU . . . . . 0.46 ' HA ' ' O ' ' A' ' 545' ' ' GLY . 36.3 mt -55.83 -46.04 99.8 Favored Pre-proline 0 C--N 1.321 -0.65 0 N-CA-C 114.855 1.428 . . . . 1.06 114.855 -168.833 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 543' ' ' PRO . . . . . 0.443 ' HG3' HD12 ' A' ' 615' ' ' ILE . 42.4 Cg_exo -61.14 -22.07 73.56 Favored 'Trans proline' 0 C--N 1.349 0.586 0 C-N-CA 121.94 1.76 . . . . 0.25 113.336 -177.551 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 544' ' ' PHE . . . . . 0.441 ' HB2' ' HE3' ' A' ' 572' ' ' MET . 96.0 m-85 -99.95 -16.15 18.07 Favored 'General case' 0 C--N 1.33 -0.255 0 O-C-N 122.041 -0.412 . . . . 0.38 111.283 176.765 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 545' ' ' GLY . . . . . 0.46 ' O ' ' HA ' ' A' ' 542' ' ' LEU . . . 175.38 157.7 17.38 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.424 -0.894 . . . . 0.44 112.546 -178.869 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 546' ' ' LYS . . . . . . . . . . . . . 56.0 tptt -65.73 129.79 41.0 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.23 0.538 . . . . 2.62 111.665 -178.44 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 547' ' ' VAL . . . . . 0.525 ' HB ' HG13 ' A' ' 608' ' ' VAL . 81.8 t -94.53 116.0 34.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-N 115.254 -0.884 . . . . 1.05 110.115 176.24 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 548' ' ' THR . . . . . . . . . . . . . 22.7 p -93.65 -36.34 12.4 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.471 -0.331 . . . . 1.11 111.728 179.236 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 549' ' ' ASN . . . . . . . . . . . . . 88.4 m-20 -143.5 162.32 36.14 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.083 -0.508 . . . . 1.49 110.636 177.893 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 550' ' ' TYR . . . . . 0.737 ' CG ' HD13 ' A' ' 538' ' ' ILE . 4.6 p90 -162.31 154.15 18.65 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.762 -0.654 . . . . 0.96 109.651 -179.933 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 551' ' ' ILE . . . . . 0.476 ' HB ' ' HB2' ' A' ' 560' ' ' PHE . 41.2 mt -140.54 123.79 16.85 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.728 0 N-CA-C 108.144 -1.058 . . . . 1.1 108.144 -178.686 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 552' ' ' LEU . . . . . 0.536 HD12 ' HA ' ' A' ' 534' ' ' GLU . 20.3 mt -107.63 124.86 50.6 Favored 'General case' 0 C--N 1.311 -1.088 0 C-N-CA 119.298 -0.961 . . . . 1.17 110.272 -179.348 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 553' ' ' MET . . . . . 0.566 ' HA ' " H4'" ' B' ' 5' ' ' ' U' . 27.2 mtp -107.26 80.94 1.47 Allowed 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 108.326 -0.99 . . . . 1.55 108.326 -177.758 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 554' ' ' LYS . . . . . 0.434 ' HD2' ' HB2' ' A' ' 532' ' ' CYS . 22.8 mmtp -54.0 -29.11 41.93 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 114.862 -1.063 . . . . 1.63 112.498 176.706 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 555' ' ' SER . . . . . . . . . . . . . 63.6 p -69.03 -43.0 75.59 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 111.911 0.337 . . . . 0.7 111.911 -174.259 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 556' ' ' THR . . . . . 0.43 ' O ' ' HG3' ' A' ' 558' ' ' GLN . 41.2 p -102.82 7.93 39.39 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 112.81 0.67 . . . . 1.14 112.81 -174.695 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 557' ' ' ASN . . . . . . . . . . . . . 43.7 m-80 59.14 39.64 22.77 Favored 'General case' 0 N--CA 1.47 0.542 0 CA-C-O 121.595 0.712 . . . . 2.03 110.155 -176.093 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 558' ' ' GLN . . . . . 0.43 ' HG3' ' O ' ' A' ' 556' ' ' THR . 77.1 mt-30 -138.2 167.28 22.16 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.21 -0.905 . . . . 1.24 109.758 -175.238 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 559' ' ' ALA . . . . . . . . . . . . . . . -159.11 166.25 32.01 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.242 0.544 . . . . 1.04 112.102 177.859 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 560' ' ' PHE . . . . . 0.476 ' HB2' ' HB ' ' A' ' 551' ' ' ILE . 89.1 m-85 -120.84 147.47 45.34 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.452 -0.795 . . . . 0.46 110.439 174.423 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 561' ' ' LEU . . . . . 0.493 ' O ' ' HB ' ' A' ' 522' ' ' VAL . 57.3 tp -135.02 119.19 17.64 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 115.478 -0.783 . . . . 1.06 109.672 -179.913 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 562' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -99.23 122.26 42.17 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.605 0.716 . . . . 2.09 110.222 179.124 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 563' ' ' MET . . . . . 0.693 ' SD ' ' HA ' ' A' ' 569' ' ' ALA . 34.4 mtt -108.73 146.8 32.95 Favored 'General case' 0 C--N 1.313 -0.979 0 CA-C-N 114.889 -1.051 . . . . 1.06 109.336 -176.844 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 564' ' ' ALA . . . . . . . . . . . . . . . -63.48 -24.04 67.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.631 -0.713 . . . . 1.25 112.3 -170.864 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 565' ' ' TYR . . . . . . . . . . . . . 76.6 m-85 -145.3 156.48 43.83 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.018 0.437 . . . . 1.39 110.808 -178.675 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 566' ' ' THR . . . . . . . . . . . . . 13.3 t -67.74 -27.17 66.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.344 -0.843 . . . . 1.24 110.241 -179.125 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 567' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -58.1 -33.68 69.36 Favored 'General case' 0 C--O 1.232 0.17 0 CA-C-N 115.665 -0.698 . . . . 0.89 110.861 178.209 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 568' ' ' ALA . . . . . 0.611 ' O ' ' HG3' ' A' ' 572' ' ' MET . . . -74.52 -42.48 58.83 Favored 'General case' 0 N--CA 1.448 -0.543 0 CA-C-N 115.828 -0.624 . . . . 1.08 110.352 -177.688 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 569' ' ' ALA . . . . . 0.693 ' HA ' ' SD ' ' A' ' 563' ' ' MET . . . -61.95 -45.34 94.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.708 -0.678 . . . . 1.0 111.822 -174.572 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 570' ' ' GLN . . . . . . . . . . . . . 28.6 pt20 -68.9 -36.58 78.21 Favored 'General case' 0 C--N 1.327 -0.393 0 C-N-CA 120.564 -0.455 . . . . 1.72 110.5 -177.625 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 571' ' ' ALA . . . . . . . . . . . . . . . -65.29 -43.12 92.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.207 -0.451 . . . . 1.08 111.028 -178.212 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 572' ' ' MET . . . . . 0.611 ' HG3' ' O ' ' A' ' 568' ' ' ALA . 25.4 mtt -69.0 -44.24 73.19 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.421 -0.354 . . . . 1.05 110.516 -179.577 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 573' ' ' VAL . . . . . 0.675 ' O ' ' HG2' ' A' ' 577' ' ' GLN . 72.6 t -59.91 -48.67 86.86 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.183 0 C-N-CA 120.983 -0.287 . . . . 1.08 110.33 179.46 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 574' ' ' GLN . . . . . . . . . . . . . 18.0 mm-40 -62.13 -36.23 81.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.319 -0.401 . . . . 2.79 111.032 -179.838 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 575' ' ' TYR . . . . . . . . . . . . . 85.5 t80 -66.41 -52.04 50.67 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.045 -0.525 . . . . 1.09 110.339 -179.364 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 576' ' ' TYR . . . . . 0.623 ' CE1' ' HB2' ' A' ' 581' ' ' ALA . 67.3 m-85 -76.79 -13.05 60.06 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 112.826 0.676 . . . . 1.03 112.826 -176.815 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 577' ' ' GLN . . . . . 0.675 ' HG2' ' O ' ' A' ' 573' ' ' VAL . 81.7 mm-40 -69.12 -42.69 75.71 Favored 'General case' 0 C--N 1.327 -0.396 0 C-N-CA 120.432 -0.507 . . . . 2.14 109.67 170.718 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 578' ' ' GLU . . . . . 0.462 ' HB2' ' HD2' ' A' ' 579' ' ' LYS . 70.2 mt-10 -86.46 -39.89 15.86 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.092 -0.504 . . . . 2.14 111.188 178.528 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 579' ' ' LYS . . . . . 0.462 ' HD2' ' HB2' ' A' ' 578' ' ' GLU . 6.5 mptt -131.82 87.11 46.13 Favored Pre-proline 0 C--N 1.329 -0.322 0 N-CA-C 109.82 -0.437 . . . . 2.95 109.82 179.553 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 580' ' ' PRO . . . . . . . . . . . . . 32.8 Cg_endo -64.52 160.82 37.84 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.593 2.195 . . . . 0.51 112.554 -178.031 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 581' ' ' ALA . . . . . 0.623 ' HB2' ' CE1' ' A' ' 576' ' ' TYR . . . -91.32 132.06 36.41 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 109.383 -0.599 . . . . 1.09 109.383 177.699 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 582' ' ' ILE . . . . . . . . . . . . . 71.7 mt -108.15 120.74 60.05 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.881 0 CA-C-O 121.016 0.436 . . . . 1.19 111.503 -173.792 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 583' ' ' ILE . . . . . . . . . . . . . 31.8 mm -123.19 117.84 52.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 115.645 -0.707 . . . . 1.21 109.097 175.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 584' ' ' ASN . . . . . . . . . . . . . 80.8 m-20 59.8 32.38 21.3 Favored 'General case' 0 N--CA 1.467 0.376 0 CA-C-O 121.17 0.51 . . . . 1.34 110.269 -177.068 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 585' ' ' GLY . . . . . . . . . . . . . . . 81.83 0.93 90.02 Favored Glycine 0 N--CA 1.447 -0.626 0 C-N-CA 120.914 -0.66 . . . . 0.51 112.98 -179.776 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 586' ' ' GLU . . . . . . . . . . . . . 35.0 mm-40 -102.24 126.67 49.29 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.887 0.344 . . . . 1.79 110.758 -177.791 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 587' ' ' LYS . . . . . . . . . . . . . 95.1 mttt -74.75 125.85 29.63 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.912 -0.586 . . . . 2.25 111.79 178.614 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 588' ' ' LEU . . . . . 0.415 ' HG ' ' O ' ' A' ' 581' ' ' ALA . 43.1 mt -88.05 140.83 29.09 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.993 -0.549 . . . . 1.03 110.497 178.671 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 589' ' ' LEU . . . . . . . . . . . . . 42.2 tp -112.47 111.54 22.45 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.131 -0.486 . . . . 1.13 110.928 -179.33 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 590' ' ' ILE . . . . . 0.429 HG12 HG12 ' A' ' 524' ' ' ILE . 17.2 mt -101.34 125.51 55.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 N-CA-C 110.191 -0.3 . . . . 1.08 110.191 175.518 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 591' ' ' ARG . . . . . . . . . . . . . 31.2 mtp180 -147.63 164.11 34.53 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.346 -0.388 . . . . 3.18 110.55 -178.298 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 592' ' ' MET . . . . . . . . . . . . . 65.4 mtt -82.34 140.42 33.54 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 109.234 -0.654 . . . . 1.13 109.234 176.567 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 593' ' ' SER . . . . . 0.586 ' HB3' ' O2 ' ' B' ' 3' ' ' ' C' . 23.6 m -87.25 136.82 32.79 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.158 0.504 . . . . 1.65 111.647 -173.784 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 594' ' ' THR . . . . . . . . . . . . . 18.8 p -91.57 -13.38 32.11 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.017 -0.992 . . . . 1.14 112.886 -175.276 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 595' ' ' ARG . . . . . 0.424 ' HD2' " O2'" ' B' ' 3' ' ' ' C' . 96.3 mtt180 -102.22 -28.94 12.0 Favored 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 112.724 0.639 . . . . 3.37 112.724 -170.315 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 596' ' ' TYR . . . . . . . . . . . . . 87.9 m-85 -127.9 148.92 50.5 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.747 0.308 . . . . 1.15 111.479 -178.22 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 597' ' ' LYS . . . . . . . . . . . . . 1.5 mtmt -110.77 -6.37 14.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.727 -0.67 . . . . 2.63 112.769 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 598' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -142.45 150.51 40.67 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.101 0.477 . . . . 0.95 110.936 -179.119 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 599' ' ' LEU . . . . . 0.491 HD22 HG12 ' A' ' 521' ' ' VAL . 80.5 mt -118.62 121.62 40.61 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.29 -0.868 . . . . 1.18 110.745 176.594 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 600' ' ' GLN . . . . . . . . . . . . . 25.2 tt0 -114.16 129.9 56.61 Favored 'General case' 0 C--N 1.32 -0.676 0 N-CA-C 109.392 -0.596 . . . . 1.65 109.392 177.408 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 601' ' ' LEU . . . . . . . . . . . . . 39.2 mt -78.82 94.92 5.25 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.037 0.446 . . . . 1.23 110.813 -179.369 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 602' ' ' LYS . . . . . . . . . . . . . 56.0 mtpt -77.64 -24.76 49.4 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.744 -0.662 . . . . 2.22 109.8 175.35 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 603' ' ' LYS . . . . . 0.468 ' HB2' ' N3 ' ' B' ' 5' ' ' ' U' . 12.3 mptt -120.74 127.66 26.15 Favored Pre-proline 0 C--N 1.325 -0.472 0 CA-C-N 115.363 -0.835 . . . . 2.26 109.543 172.468 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 604' ' ' PRO . . . . . . . . . . . . . 44.2 Cg_endo -67.82 165.79 26.64 Favored 'Trans proline' 0 C--O 1.235 0.36 0 C-N-CA 122.833 2.355 . . . . 1.26 112.517 -178.678 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 605' ' ' GLY . . . . . . . . . . . . . . . -138.08 -178.35 16.04 Favored Glycine 0 N--CA 1.441 -1.03 0 C-N-CA 120.999 -0.619 . . . . 1.23 112.225 -177.523 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 606' ' ' LYS . . . . . . . . . . . . . 54.3 mttp -79.61 161.34 25.97 Favored 'General case' 0 C--N 1.316 -0.88 0 N-CA-C 109.42 -0.585 . . . . 3.96 109.42 176.866 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 607' ' ' ASN . . . . . . . . . . . . . 47.8 t-20 -64.33 127.14 30.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.041 0.448 . . . . 1.8 110.587 178.067 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 608' ' ' VAL . . . . . 0.525 HG13 ' HB ' ' A' ' 547' ' ' VAL . 98.5 t -75.4 -21.2 16.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-N 115.511 -0.768 . . . . 1.07 111.293 -177.397 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 609' ' ' ALA . . . . . . . . . . . . . . . -65.21 -37.83 88.54 Favored 'General case' 0 C--O 1.236 0.363 0 CA-C-O 121.283 0.563 . . . . 1.27 110.322 177.148 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 610' ' ' ALA . . . . . . . . . . . . . . . -62.9 -29.84 71.08 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.502 -0.772 . . . . 1.14 109.987 176.635 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 611' ' ' ILE . . . . . 0.524 ' CD1' HD12 ' A' ' 538' ' ' ILE . 66.0 mt -70.52 -32.98 51.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 115.415 -0.812 . . . . 1.03 109.808 -179.556 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 612' ' ' ILE . . . . . 0.44 ' O ' ' HD2' ' A' ' 616' ' ' HIS . 64.2 mt -60.37 -44.09 95.24 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.196 0 CA-C-O 121.141 0.496 . . . . 1.11 109.775 173.803 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 613' ' ' GLN . . . . . . . . . . . . . 12.6 mm100 -63.88 -30.37 71.47 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.845 -0.616 . . . . 3.02 110.616 178.75 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 614' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -69.07 -33.58 73.78 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.548 -0.751 . . . . 1.95 110.914 178.232 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 615' ' ' ILE . . . . . 0.443 HD12 ' HG3' ' A' ' 543' ' ' PRO . 83.8 mt -72.95 -41.79 60.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-N 116.278 -0.419 . . . . 1.08 110.714 177.433 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 616' ' ' HIS . . . . . 0.44 ' HD2' ' O ' ' A' ' 612' ' ' ILE . 43.4 m-70 -69.49 -32.83 71.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.01 -0.541 . . . . 1.73 111.698 -179.89 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 617' ' ' SER . . . . . . . . . . . . . 10.2 p -70.56 -21.9 62.65 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 109.402 -0.592 . . . . 1.77 109.402 172.302 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 618' ' ' GLN . . . . . . . . . . . . . 90.8 mt-30 81.98 5.86 1.13 Allowed 'General case' 0 N--CA 1.466 0.344 0 CA-C-N 114.585 -1.188 . . . . 5.45 111.5 172.888 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 619' ' ' ARG . . . . . . . . . . . . . 27.8 mmm180 58.64 -167.81 0.15 Allowed 'General case' 0 C--O 1.233 0.236 0 O-C-N 123.601 0.563 . . . . 8.54 111.36 178.342 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 620' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -145.99 77.93 1.51 Allowed 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.876 -0.602 . . . . 7.92 109.386 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 621' ' ' ARG . . . . . . . . . . . . . 34.3 ptt180 . . . . . 0 C--O 1.248 0.977 0 CA-C-O 118.006 -0.997 . . . . 11.52 111.294 -178.864 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 1' ' ' ADN . . . . . 0.516 " H2'" ' C6 ' ' B' ' 2' ' ' ' U' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 2' ' ' ' U' . . . . . 0.516 ' C6 ' " H2'" ' B' ' 1' ' ' ADN . . . . . . . . 0 O5'--C5' 1.427 -0.83 0 C3'-C2'-C1' 100.033 -1.63 . 0.0 '__' . 2.99 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 3' ' ' ' C' . . . . . 0.64 ' N3 ' ' HA ' ' A' ' 593' ' ' SER . . . . . . . . 0 O5'--C5' 1.425 -0.954 0 C4'-C3'-C2' 103.902 1.202 . 0.024 2[ . 1.58 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 4' ' ' ' U' . . . . . 0.438 ' O2 ' ' H5 ' ' B' ' 5' ' ' ' U' . . . . . . . . 0 O5'--C5' 1.423 -1.082 0 C3'-C2'-C1' 99.906 -1.771 . 0.0 OUTLIER . 1.21 . . . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 5' ' ' ' U' . . . . . 0.855 " H4'" ' HA ' ' A' ' 553' ' ' MET . . . . . . . . 0 O5'--C5' 1.425 -0.95 0 C4'-C3'-C2' 104.129 1.429 . 0.0 OUTLIER alpha 1.33 . . . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 6' ' ' ' A' . . . . . 0.409 ' OP2' ' C8 ' ' B' ' 6' ' ' ' A' . . . . . . . . 0 O5'--C5' 1.426 -0.886 0 C3'-C2'-C1' 99.722 -1.975 . 0.0 OUTLIER gamma 4.58 . . . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 510' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.57 0 N-CA-C 111.627 -0.589 . . . . 9.27 111.627 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 511' ' ' ALA . . . . . 0.423 ' O ' ' HB3' ' A' ' 512' ' ' MET . . . -131.38 -68.38 0.66 Allowed 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.939 0.37 . . . . 6.96 111.069 -179.544 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 512' ' ' MET . . . . . 0.423 ' HB3' ' O ' ' A' ' 511' ' ' ALA . 51.2 ttp 69.96 127.49 0.03 OUTLIER 'General case' 0 N--CA 1.468 0.45 0 O-C-N 123.803 0.69 . . . . 6.68 110.951 -176.323 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 513' ' ' ALA . . . . . . . . . . . . . . . -71.62 101.75 2.59 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.925 -0.58 . . . . 4.66 110.723 179.617 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 514' ' ' GLN . . . . . . . . . . . . . 78.1 mt-30 -74.7 -176.66 2.9 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.512 -0.767 . . . . 2.88 110.763 177.259 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 515' ' ' ARG . . . . . . . . . . . . . 91.9 mtt180 -58.01 120.17 8.08 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 110.179 -0.304 . . . . 4.64 110.179 177.153 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 516' ' ' LYS . . . . . 0.433 ' O ' ' HB ' ' A' ' 566' ' ' THR . 38.2 mmtm -140.06 48.43 1.78 Allowed 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.307 0.575 . . . . 2.38 109.742 -178.284 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 517' ' ' GLY . . . . . . . . . . . . . . . -82.48 -72.96 1.24 Allowed Glycine 0 N--CA 1.45 -0.394 0 CA-C-N 115.682 -0.69 . . . . 2.04 112.078 -178.256 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 518' ' ' ALA . . . . . . . . . . . . . . . -102.92 -21.17 14.02 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.345 0.593 . . . . 1.94 110.073 177.138 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 519' ' ' GLY . . . . . . . . . . . . . . . -110.59 106.5 2.09 Favored Glycine 0 N--CA 1.446 -0.675 0 CA-C-N 114.75 -1.114 . . . . 0.98 110.789 177.556 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 520' ' ' ARG . . . . . . . . . . . . . 18.7 mtm-85 -124.14 133.76 53.5 Favored 'General case' 0 N--CA 1.447 -0.61 0 CA-C-O 121.188 0.518 . . . . 2.86 110.988 -178.546 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 521' ' ' VAL . . . . . 0.48 HG12 HD23 ' A' ' 599' ' ' LEU . 61.0 t -118.95 121.6 67.24 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.75 0 CA-C-N 115.394 -0.821 . . . . 1.14 109.978 166.457 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 522' ' ' VAL . . . . . 0.549 ' HB ' ' O ' ' A' ' 561' ' ' LEU . 25.4 t -119.67 121.16 65.52 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.955 0 N-CA-C 107.705 -1.22 . . . . 1.05 107.705 175.495 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 523' ' ' HIS . . . . . . . . . . . . . 50.5 t-80 -106.21 131.44 53.45 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-O 121.167 0.508 . . . . 0.57 110.678 -171.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 524' ' ' ILE . . . . . 0.429 HG12 HG12 ' A' ' 590' ' ' ILE . 26.9 mt -111.09 137.19 44.61 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.96 0 N-CA-C 108.295 -1.002 . . . . 1.06 108.295 177.556 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 525' ' ' CYS . . . . . 0.457 ' SG ' ' HB3' ' A' ' 589' ' ' LEU . 7.5 p -134.4 163.62 29.27 Favored 'General case' 0 C--N 1.313 -1.003 0 C-N-CA 120.491 -0.484 . . . . 1.75 111.781 -175.146 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 526' ' ' ASN . . . . . 0.436 ' HB2' ' O ' ' A' ' 525' ' ' CYS . 80.4 m-20 85.47 29.95 0.05 OUTLIER 'General case' 0 N--CA 1.466 0.352 0 O-C-N 124.889 1.368 . . . . 0.28 110.758 174.775 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 527' ' ' LEU . . . . . . . . . . . . . 80.9 mt -83.77 123.75 75.77 Favored Pre-proline 0 C--N 1.324 -0.542 0 N-CA-C 109.136 -0.69 . . . . 1.04 109.136 178.133 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 528' ' ' PRO . . . . . 0.464 ' HG2' ' HB2' ' A' ' 531' ' ' SER . 19.6 Cg_endo -70.65 133.42 23.9 Favored 'Trans proline' 0 N--CA 1.455 -0.759 0 C-N-CA 121.2 1.266 . . . . 0.5 111.485 179.609 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 529' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -67.84 137.93 55.7 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 108.964 -0.754 . . . . 1.6 108.964 179.76 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 530' ' ' GLY . . . . . . . . . . . . . . . 88.22 4.55 77.53 Favored Glycine 0 N--CA 1.445 -0.746 0 C-N-CA 120.064 -1.065 . . . . 0.52 110.539 -172.059 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 531' ' ' SER . . . . . 0.464 ' HB2' ' HG2' ' A' ' 528' ' ' PRO . 68.9 m -149.24 6.53 0.67 Allowed 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.047 -0.576 . . . . 1.49 109.882 -174.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 532' ' ' CYS . . . . . . . . . . . . . 61.1 m -89.44 84.45 6.42 Favored 'General case' 0 CA--C 1.516 -0.346 0 N-CA-C 109.189 -0.671 . . . . 0.25 109.189 179.505 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 533' ' ' THR . . . . . 0.562 ' O ' HG21 ' A' ' 537' ' ' VAL . 28.8 p -99.53 152.14 20.36 Favored 'General case' 0 N--CA 1.443 -0.784 0 N-CA-C 108.695 -0.854 . . . . 1.1 108.695 -178.879 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 534' ' ' GLU . . . . . 0.527 ' N ' HD11 ' A' ' 552' ' ' LEU . 37.2 mt-10 -66.47 -34.38 77.8 Favored 'General case' 0 C--N 1.319 -0.758 0 N-CA-C 108.793 -0.818 . . . . 1.64 108.793 176.683 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 535' ' ' ASN . . . . . . . . . . . . . 66.0 t30 -63.28 -49.13 75.28 Favored 'General case' 0 C--O 1.214 -0.764 0 CA-C-N 114.553 -1.203 . . . . 1.86 111.202 -176.338 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 536' ' ' ASP . . . . . . . . . . . . . 49.6 m-20 -69.48 -43.03 74.02 Favored 'General case' 0 N--CA 1.474 0.764 0 CA-C-O 121.428 0.632 . . . . 0.61 111.156 -172.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 537' ' ' VAL . . . . . 0.562 HG21 ' O ' ' A' ' 533' ' ' THR . 38.7 t -59.96 -47.7 90.67 Favored 'Isoleucine or valine' 0 C--O 1.242 0.681 0 CA-C-N 114.964 -1.016 . . . . 1.03 109.921 -179.597 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 538' ' ' ILE . . . . . 0.667 HD11 ' CG ' ' A' ' 550' ' ' TYR . 71.5 mt -68.44 -33.44 60.22 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.752 0 CA-C-N 115.129 -0.941 . . . . 1.06 111.501 176.065 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 539' ' ' ASN . . . . . 0.455 ' HA ' HD13 ' A' ' 615' ' ' ILE . 12.2 m120 -58.23 -27.73 64.22 Favored 'General case' 0 CA--C 1.514 -0.438 0 N-CA-C 110.366 -0.235 . . . . 0.25 110.366 177.214 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 540' ' ' LEU . . . . . 0.461 HD12 HD12 ' A' ' 588' ' ' LEU . 84.7 mt -75.86 -41.08 53.31 Favored 'General case' 0 C--N 1.324 -0.514 0 C-N-CA 120.622 -0.431 . . . . 1.11 110.351 173.765 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 541' ' ' GLY . . . . . 0.44 ' HA2' ' SD ' ' A' ' 572' ' ' MET . . . -64.96 -52.4 42.26 Favored Glycine 0 CA--C 1.523 0.565 0 N-CA-C 115.44 0.936 . . . . 0.19 115.44 -179.751 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 542' ' ' LEU . . . . . 0.473 ' HB2' ' CD1' ' A' ' 615' ' ' ILE . 62.8 mt -56.63 -46.34 99.84 Favored Pre-proline 0 C--N 1.322 -0.606 0 N-CA-C 114.999 1.481 . . . . 1.06 114.999 -168.428 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 543' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -57.87 -26.6 74.88 Favored 'Trans proline' 0 C--N 1.35 0.612 0 C-N-CA 122.138 1.892 . . . . 0.25 113.984 -175.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 544' ' ' PHE . . . . . 0.466 ' HB2' ' HE2' ' A' ' 572' ' ' MET . 97.0 m-85 -100.01 -16.46 17.91 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-O 120.835 0.35 . . . . 0.38 111.174 178.931 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 545' ' ' GLY . . . . . 0.43 ' O ' ' HA ' ' A' ' 542' ' ' LEU . . . 178.31 154.53 12.72 Favored Glycine 0 N--CA 1.447 -0.579 0 C-N-CA 120.765 -0.731 . . . . 0.44 112.057 179.79 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 546' ' ' LYS . . . . . . . . . . . . . 40.3 ttmt -66.42 131.34 45.85 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 121.04 0.448 . . . . 2.62 111.17 -177.191 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 547' ' ' VAL . . . . . 0.526 ' HB ' HG13 ' A' ' 608' ' ' VAL . 69.1 t -89.56 115.32 28.97 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-N 115.719 -0.673 . . . . 1.05 110.448 177.53 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 548' ' ' THR . . . . . . . . . . . . . 25.8 p -93.44 -35.23 13.09 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.252 -0.431 . . . . 1.11 111.251 -179.851 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 549' ' ' ASN . . . . . . . . . . . . . 91.9 m-20 -142.51 160.05 41.05 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.128 -0.487 . . . . 1.49 110.642 178.643 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 550' ' ' TYR . . . . . 0.667 ' CG ' HD11 ' A' ' 538' ' ' ILE . 4.8 p90 -161.13 151.46 17.74 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.637 -0.71 . . . . 0.96 109.228 -178.595 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 551' ' ' ILE . . . . . 0.63 HG22 ' C2 ' ' B' ' 5' ' ' ' U' . 62.5 mt -145.5 126.91 8.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 N-CA-C 108.365 -0.976 . . . . 1.1 108.365 -177.027 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 552' ' ' LEU . . . . . 0.527 HD11 ' N ' ' A' ' 534' ' ' GLU . 22.2 mt -106.26 124.85 50.23 Favored 'General case' 0 C--N 1.315 -0.903 0 C-N-CA 120.006 -0.678 . . . . 1.17 110.923 -178.39 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 553' ' ' MET . . . . . 0.855 ' HA ' " H4'" ' B' ' 5' ' ' ' U' . 42.7 mtp -108.37 80.28 1.34 Allowed 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 108.82 -0.807 . . . . 1.55 108.82 -179.332 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 554' ' ' LYS . . . . . . . . . . . . . 26.3 mmtp -54.03 -29.49 43.89 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 114.478 -1.237 . . . . 1.63 113.011 175.776 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 555' ' ' SER . . . . . . . . . . . . . 65.7 p -69.33 -44.63 71.27 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 120.729 0.3 . . . . 0.7 111.699 -173.37 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 556' ' ' THR . . . . . . . . . . . . . 41.1 p -102.2 7.5 40.84 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 112.753 0.649 . . . . 1.14 112.753 -175.283 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 557' ' ' ASN . . . . . . . . . . . . . 19.1 m120 60.46 39.91 17.79 Favored 'General case' 0 N--CA 1.471 0.596 0 CA-C-O 121.663 0.745 . . . . 2.03 110.29 -176.316 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 558' ' ' GLN . . . . . . . . . . . . . 77.4 mt-30 -135.61 168.4 19.33 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.028 -0.987 . . . . 1.24 109.647 -174.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 559' ' ' ALA . . . . . . . . . . . . . . . -158.95 165.59 33.76 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.093 0.473 . . . . 1.04 111.547 176.467 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 560' ' ' PHE . . . . . 0.542 ' HB2' ' HB ' ' A' ' 551' ' ' ILE . 85.0 m-85 -119.46 145.09 46.59 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.95 -0.568 . . . . 0.46 110.142 176.075 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 561' ' ' LEU . . . . . 0.549 ' O ' ' HB ' ' A' ' 522' ' ' VAL . 54.0 tp -135.05 119.4 17.85 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.721 -0.672 . . . . 1.06 110.05 -179.409 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 562' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -101.08 136.11 41.45 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.283 0.563 . . . . 2.09 109.842 177.501 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 563' ' ' MET . . . . . 0.595 ' SD ' ' HA ' ' A' ' 569' ' ' ALA . 40.5 mtt -120.77 164.95 15.82 Favored 'General case' 0 C--N 1.317 -0.84 0 CA-C-N 115.263 -0.88 . . . . 1.06 110.03 -170.329 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 564' ' ' ALA . . . . . . . . . . . . . . . -59.1 -43.34 91.85 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 120.834 0.349 . . . . 1.25 111.94 -175.631 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 565' ' ' TYR . . . . . . . . . . . . . 96.9 m-85 -144.37 162.72 35.76 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.245 -0.434 . . . . 1.39 110.993 -177.032 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 566' ' ' THR . . . . . 0.433 ' HB ' ' O ' ' A' ' 516' ' ' LYS . 13.3 t -62.6 -27.15 69.0 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.675 -0.693 . . . . 1.24 110.836 179.342 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 567' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -61.33 -32.28 72.15 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.945 -0.57 . . . . 0.89 110.807 176.636 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 568' ' ' ALA . . . . . 0.666 ' O ' ' HG3' ' A' ' 572' ' ' MET . . . -72.56 -41.47 65.7 Favored 'General case' 0 N--CA 1.448 -0.531 0 N-CA-C 109.402 -0.592 . . . . 1.08 109.402 -179.463 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 569' ' ' ALA . . . . . 0.595 ' HA ' ' SD ' ' A' ' 563' ' ' MET . . . -64.15 -45.76 87.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.77 -0.65 . . . . 1.0 111.083 -178.448 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 570' ' ' GLN . . . . . . . . . . . . . 14.0 pt20 -64.8 -35.99 82.87 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.257 -0.429 . . . . 1.72 110.62 -177.039 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 571' ' ' ALA . . . . . . . . . . . . . . . -67.5 -45.16 76.65 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.242 -0.435 . . . . 1.08 111.021 179.539 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 572' ' ' MET . . . . . 0.666 ' HG3' ' O ' ' A' ' 568' ' ' ALA . 25.4 mtt -69.27 -44.22 72.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 1.05 110.849 -178.246 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 573' ' ' VAL . . . . . 0.59 ' O ' ' HG3' ' A' ' 577' ' ' GLN . 75.1 t -59.01 -46.71 91.52 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.263 0 CA-C-N 116.796 -0.183 . . . . 1.08 110.555 -178.524 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 574' ' ' GLN . . . . . . . . . . . . . 48.7 mt-30 -62.21 -37.39 85.16 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.853 0.359 . . . . 2.79 110.902 178.288 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 575' ' ' TYR . . . . . . . . . . . . . 92.9 t80 -68.27 -53.2 26.14 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.041 -0.527 . . . . 1.09 110.858 -176.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 576' ' ' TYR . . . . . 0.541 ' CD2' HD11 ' A' ' 590' ' ' ILE . 94.4 m-85 -76.41 -13.3 60.13 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 113.055 0.761 . . . . 1.03 113.055 -174.567 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 577' ' ' GLN . . . . . 0.59 ' HG3' ' O ' ' A' ' 573' ' ' VAL . 43.7 mt-30 -71.05 -43.21 68.3 Favored 'General case' 0 C--N 1.327 -0.387 0 C-N-CA 120.229 -0.588 . . . . 2.14 110.168 173.367 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 578' ' ' GLU . . . . . . . . . . . . . 32.8 mt-10 -91.86 -37.13 13.1 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.066 -0.515 . . . . 2.14 111.346 -179.615 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 579' ' ' LYS . . . . . . . . . . . . . 93.4 mttt -124.39 82.45 58.19 Favored Pre-proline 0 C--N 1.325 -0.499 0 N-CA-C 109.594 -0.521 . . . . 2.95 109.594 176.332 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 580' ' ' PRO . . . . . . . . . . . . . 37.0 Cg_endo -65.94 160.32 44.77 Favored 'Trans proline' 0 C--O 1.232 0.224 0 C-N-CA 122.577 2.185 . . . . 0.51 112.464 -177.859 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 581' ' ' ALA . . . . . . . . . . . . . . . -91.59 139.04 31.08 Favored 'General case' 0 CA--C 1.513 -0.472 0 CA-C-N 116.268 -0.424 . . . . 1.09 110.058 -179.462 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 582' ' ' ILE . . . . . . . . . . . . . 26.3 mt -104.48 118.87 52.47 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 CA-C-O 120.973 0.416 . . . . 1.19 111.014 -176.672 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 583' ' ' ILE . . . . . . . . . . . . . 29.3 mm -121.14 111.16 30.37 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 115.921 -0.582 . . . . 1.21 109.589 172.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 584' ' ' ASN . . . . . . . . . . . . . 96.3 m-20 50.8 44.01 28.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.553 0.692 . . . . 1.34 110.559 179.47 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 585' ' ' GLY . . . . . . . . . . . . . . . 85.56 -3.6 86.92 Favored Glycine 0 N--CA 1.449 -0.48 0 CA-C-N 114.696 -1.138 . . . . 0.51 114.669 176.649 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 586' ' ' GLU . . . . . . . . . . . . . 74.1 mm-40 -100.46 126.24 46.85 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 117.939 0.869 . . . . 1.79 111.31 -179.337 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 587' ' ' LYS . . . . . . . . . . . . . 42.5 mmtm -75.96 119.72 20.3 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.419 -0.809 . . . . 2.25 110.531 174.231 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 588' ' ' LEU . . . . . 0.461 HD12 HD12 ' A' ' 540' ' ' LEU . 42.5 mt -91.05 137.61 32.23 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 116.192 -0.458 . . . . 1.03 110.887 -179.858 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 589' ' ' LEU . . . . . 0.457 ' HB3' ' SG ' ' A' ' 525' ' ' CYS . 43.5 tp -114.69 121.9 44.79 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.803 -0.635 . . . . 1.13 110.532 179.793 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 590' ' ' ILE . . . . . 0.541 HD11 ' CD2' ' A' ' 576' ' ' TYR . 24.5 mt -106.49 122.6 60.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 116.584 -0.28 . . . . 1.08 110.276 177.267 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 591' ' ' ARG . . . . . . . . . . . . . 49.4 mtp180 -147.47 166.63 26.67 Favored 'General case' 0 N--CA 1.465 0.279 0 C-N-CA 122.569 0.348 . . . . 3.18 110.21 -177.564 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 592' ' ' MET . . . . . . . . . . . . . 63.7 mtt -81.37 150.96 28.19 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.614 0.245 . . . . 1.13 110.366 -178.307 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 593' ' ' SER . . . . . 0.64 ' HA ' ' N3 ' ' B' ' 3' ' ' ' C' . 36.2 t -86.18 136.48 33.18 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.326 0.584 . . . . 1.65 111.442 -178.229 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 594' ' ' THR . . . . . . . . . . . . . 19.2 p -90.09 -20.04 23.63 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 114.777 -1.101 . . . . 1.14 111.685 179.084 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 595' ' ' ARG . . . . . 0.406 ' HD3' " H2'" ' B' ' 3' ' ' ' C' . 68.6 mtp180 -103.52 -30.02 10.78 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 112.633 0.605 . . . . 3.37 112.633 -171.487 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 596' ' ' TYR . . . . . . . . . . . . . 85.6 m-85 -116.02 141.62 47.88 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.167 0.508 . . . . 1.15 111.911 -175.206 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 597' ' ' LYS . . . . . 0.49 ' N ' ' HD2' ' A' ' 597' ' ' LYS . 0.1 OUTLIER -109.45 -12.95 14.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.496 -0.775 . . . . 2.63 111.409 177.971 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 598' ' ' GLU . . . . . . . . . . . . . 40.8 tt0 -143.63 150.91 39.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.129 0.49 . . . . 0.95 111.356 -179.779 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 599' ' ' LEU . . . . . 0.48 HD23 HG12 ' A' ' 521' ' ' VAL . 78.9 mt -119.83 121.58 39.42 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.315 -0.857 . . . . 1.18 110.303 174.239 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 600' ' ' GLN . . . . . . . . . . . . . 15.6 pt20 -113.85 136.57 52.72 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 109.522 -0.547 . . . . 1.65 109.522 174.189 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 601' ' ' LEU . . . . . . . . . . . . . 73.7 mt -80.34 99.08 7.73 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 116.229 -0.441 . . . . 1.23 110.976 -176.537 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 602' ' ' LYS . . . . . . . . . . . . . 54.2 mtmt -86.42 -10.89 53.35 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.904 -0.589 . . . . 2.22 110.198 175.804 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 603' ' ' LYS . . . . . . . . . . . . . 33.7 mmtp -116.98 151.35 47.36 Favored Pre-proline 0 C--N 1.323 -0.551 0 CA-C-N 115.821 -0.627 . . . . 2.26 109.331 175.578 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 604' ' ' PRO . . . . . . . . . . . . . 19.5 Cg_endo -59.93 144.71 99.43 Favored 'Trans proline' 0 C--O 1.235 0.373 0 C-N-CA 123.023 2.482 . . . . 1.26 112.899 -177.661 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 605' ' ' GLY . . . . . . . . . . . . . . . -116.52 124.34 6.16 Favored Glycine 0 N--CA 1.441 -0.988 0 C-N-CA 120.873 -0.679 . . . . 1.23 112.558 -178.064 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 606' ' ' LYS . . . . . 0.497 ' HG2' ' HH ' ' A' ' 550' ' ' TYR . 0.3 OUTLIER -71.45 150.33 45.02 Favored 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 108.523 -0.917 . . . . 3.96 108.523 172.766 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 607' ' ' ASN . . . . . . . . . . . . . 26.9 t-20 -58.25 121.63 11.22 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.21 0.529 . . . . 1.8 110.916 179.596 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 608' ' ' VAL . . . . . 0.526 HG13 ' HB ' ' A' ' 547' ' ' VAL . 76.0 t -81.66 -23.2 10.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-N 115.513 -0.767 . . . . 1.07 111.511 -174.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 609' ' ' ALA . . . . . . . . . . . . . . . -62.58 -34.22 76.53 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.324 0.583 . . . . 1.27 110.224 174.479 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 610' ' ' ALA . . . . . . . . . . . . . . . -65.42 -27.58 68.64 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.761 -0.654 . . . . 1.14 110.186 175.207 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 611' ' ' ILE . . . . . 0.41 ' HB ' ' O ' ' A' ' 608' ' ' VAL . 71.7 mt -71.39 -31.41 43.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 115.755 -0.657 . . . . 1.03 109.671 177.091 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 612' ' ' ILE . . . . . 0.435 ' O ' ' HD2' ' A' ' 616' ' ' HIS . 63.1 mt -60.74 -43.74 95.82 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.22 0 CA-C-O 121.172 0.511 . . . . 1.11 109.69 173.424 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 613' ' ' GLN . . . . . . . . . . . . . 26.4 mm-40 -64.57 -30.59 71.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.721 0.772 . . . . 3.02 109.454 178.433 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 614' ' ' ASP . . . . . 0.455 ' O ' ' HG3' ' A' ' 618' ' ' GLN . 5.4 t70 -66.99 -42.17 85.52 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 114.597 -1.183 . . . . 1.95 109.726 179.72 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 615' ' ' ILE . . . . . 0.473 ' CD1' ' HB2' ' A' ' 542' ' ' LEU . 79.3 mt -65.1 -38.78 83.58 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 115.987 -0.551 . . . . 1.08 110.924 178.771 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 616' ' ' HIS . . . . . 0.435 ' HD2' ' O ' ' A' ' 612' ' ' ILE . 53.2 m-70 -64.51 -28.1 69.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.934 0.397 . . . . 1.73 110.494 177.352 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 617' ' ' SER . . . . . . . . . . . . . 18.4 m -75.39 -25.26 57.47 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.076 -0.511 . . . . 1.77 110.35 174.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 618' ' ' GLN . . . . . 0.455 ' HG3' ' O ' ' A' ' 614' ' ' ASP . 77.7 mt-30 -92.3 178.28 5.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.694 -0.684 . . . . 5.45 110.959 -179.088 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 619' ' ' ARG . . . . . . . . . . . . . 64.4 mtt180 -138.76 90.67 2.47 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.294 -0.866 . . . . 8.54 109.228 171.307 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 620' ' ' GLU . . . . . . . . . . . . . 1.9 pm0 -61.29 145.61 50.78 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-N 115.939 -0.573 . . . . 7.92 111.515 -176.285 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 621' ' ' ARG . . . . . . . . . . . . . 63.2 ttp180 . . . . . 0 C--O 1.246 0.894 0 CA-C-O 118.537 -0.744 . . . . 11.52 109.769 179.425 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 1' ' ' ADN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 2' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.943 0 C3'-C2'-C1' 99.419 -2.312 . 0.0 '__' . 2.99 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 3' ' ' ' C' . . . . . 0.633 ' O2 ' ' HB3' ' A' ' 593' ' ' SER . . . . . . . . 0 O5'--C5' 1.428 -0.752 0 C3'-C2'-C1' 100.636 -0.96 . 0.0 OUTLIER gamma 1.58 . . . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 4' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.82 0 O4'-C1'-N19 109.685 1.485 . 0.0 OUTLIER gamma 1.21 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 5' ' ' ' U' . . . . . 0.669 ' N3 ' HG23 ' A' ' 551' ' ' ILE . . . . . . . . 0 O5'--C5' 1.426 -0.873 0 C4'-C3'-C2' 104.066 1.366 . 0.535 4b . 1.33 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 6' ' ' ' A' . . . . . 0.447 ' H2 ' " O2'" ' B' ' 5' ' ' ' U' . . . . . . . . 0 O5'--C5' 1.426 -0.886 0 C4'-C3'-C2' 103.812 1.112 . 0.0 OUTLIER . 4.58 . . . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 510' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.926 0 N-CA-C 112.375 -0.29 . . . . 9.27 112.375 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 511' ' ' ALA . . . . . . . . . . . . . . . -94.78 -176.84 4.0 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 110.071 -0.344 . . . . 6.96 110.071 177.418 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 512' ' ' MET . . . . . . . . . . . . . 25.9 ttt 60.81 88.58 0.08 Allowed 'General case' 0 C--O 1.237 0.403 0 O-C-N 123.63 0.581 . . . . 6.68 109.481 -177.059 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 513' ' ' ALA . . . . . . . . . . . . . . . 64.09 76.05 0.36 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.304 -0.862 . . . . 4.66 108.82 -169.05 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 514' ' ' GLN . . . . . . . . . . . . . 49.1 mt-30 -52.67 115.45 1.81 Allowed 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.278 -0.874 . . . . 2.88 111.432 -173.616 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 515' ' ' ARG . . . . . . . . . . . . . 3.7 mmt180 -71.12 111.53 6.55 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.242 -0.89 . . . . 4.64 109.978 -177.365 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 516' ' ' LYS . . . . . 0.534 ' HA ' ' O ' ' A' ' 519' ' ' GLY . 40.8 mmtm -141.29 35.65 1.69 Allowed 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.859 -0.61 . . . . 2.38 109.783 -178.199 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 517' ' ' GLY . . . . . . . . . . . . . . . -94.22 -74.95 1.27 Allowed Glycine 0 N--CA 1.449 -0.464 0 CA-C-N 115.648 -0.705 . . . . 2.04 112.272 -177.59 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 518' ' ' ALA . . . . . . . . . . . . . . . -83.04 -10.89 58.51 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.517 0.675 . . . . 1.94 110.432 179.862 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 519' ' ' GLY . . . . . 0.534 ' O ' ' HA ' ' A' ' 516' ' ' LYS . . . -147.84 138.67 7.26 Favored Glycine 0 N--CA 1.443 -0.844 0 CA-C-N 114.988 -1.005 . . . . 0.98 110.83 177.813 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 520' ' ' ARG . . . . . . . . . . . . . 19.3 mtm-85 -129.32 133.87 47.64 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 117.611 0.706 . . . . 2.86 111.077 177.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 521' ' ' VAL . . . . . 0.456 HG11 HD23 ' A' ' 599' ' ' LEU . 87.4 t -118.58 120.08 63.12 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 CA-C-N 115.404 -0.816 . . . . 1.14 109.892 165.254 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 522' ' ' VAL . . . . . 0.632 ' HB ' ' O ' ' A' ' 561' ' ' LEU . 25.6 t -121.11 120.85 63.35 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.963 0 N-CA-C 108.034 -1.099 . . . . 1.05 108.034 176.395 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 523' ' ' HIS . . . . . . . . . . . . . 59.1 t-80 -106.03 133.82 50.13 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 121.116 0.484 . . . . 0.57 110.446 -176.038 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 524' ' ' ILE . . . . . . . . . . . . . 31.3 mt -111.37 137.25 44.71 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.914 0 N-CA-C 108.489 -0.93 . . . . 1.06 108.489 176.638 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 525' ' ' CYS . . . . . 0.498 ' SG ' ' HB3' ' A' ' 589' ' ' LEU . 5.1 p -134.88 163.1 30.59 Favored 'General case' 0 C--N 1.314 -0.949 0 C-N-CA 120.475 -0.49 . . . . 1.75 111.664 -173.87 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 526' ' ' ASN . . . . . 0.472 ' HB2' ' O ' ' A' ' 525' ' ' CYS . 89.6 m-20 86.05 27.94 0.05 OUTLIER 'General case' 0 N--CA 1.469 0.487 0 O-C-N 124.917 1.385 . . . . 0.28 110.574 176.127 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 527' ' ' LEU . . . . . 0.461 ' O ' ' HB3' ' A' ' 557' ' ' ASN . 82.5 mt -84.11 124.3 74.43 Favored Pre-proline 0 C--N 1.325 -0.494 0 CA-C-N 115.549 -0.75 . . . . 1.04 109.066 177.663 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 528' ' ' PRO . . . . . . . . . . . . . 14.2 Cg_exo -68.55 136.18 35.64 Favored 'Trans proline' 0 N--CA 1.46 -0.47 0 C-N-CA 121.798 1.665 . . . . 0.5 112.023 -178.118 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 529' ' ' GLU . . . . . . . . . . . . . 47.6 tt0 -64.43 133.53 52.71 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.449 -0.796 . . . . 1.6 109.779 177.527 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 530' ' ' GLY . . . . . . . . . . . . . . . 86.77 5.26 81.6 Favored Glycine 0 N--CA 1.445 -0.703 0 C-N-CA 119.865 -1.159 . . . . 0.52 111.27 -173.88 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 531' ' ' SER . . . . . . . . . . . . . 50.1 m -148.03 11.57 0.94 Allowed 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.332 0.586 . . . . 1.49 110.189 -175.211 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 532' ' ' CYS . . . . . . . . . . . . . 63.1 m -89.85 88.25 7.27 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 109.109 -0.7 . . . . 0.25 109.109 177.515 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 533' ' ' THR . . . . . 0.503 ' O ' HG23 ' A' ' 537' ' ' VAL . 29.3 p -102.15 151.92 21.62 Favored 'General case' 0 C--N 1.322 -0.627 0 C-N-CA 119.908 -0.717 . . . . 1.1 109.225 -178.611 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 534' ' ' GLU . . . . . 0.535 ' N ' HD11 ' A' ' 552' ' ' LEU . 83.7 mt-10 -65.93 -34.35 77.93 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 108.984 -0.747 . . . . 1.64 108.984 176.681 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 535' ' ' ASN . . . . . . . . . . . . . 5.6 m-20 -62.83 -48.84 77.34 Favored 'General case' 0 C--O 1.214 -0.81 0 CA-C-N 114.703 -1.135 . . . . 1.86 111.523 -177.111 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 536' ' ' ASP . . . . . . . . . . . . . 51.4 m-20 -69.83 -44.86 69.08 Favored 'General case' 0 N--CA 1.473 0.676 0 CA-C-O 121.34 0.59 . . . . 0.61 111.266 -172.833 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 537' ' ' VAL . . . . . 0.503 HG23 ' O ' ' A' ' 533' ' ' THR . 36.3 t -60.33 -48.14 89.47 Favored 'Isoleucine or valine' 0 C--O 1.242 0.678 0 CA-C-N 114.989 -1.005 . . . . 1.03 110.028 -178.775 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 538' ' ' ILE . . . . . 0.656 HD13 ' CG ' ' A' ' 550' ' ' TYR . 65.0 mt -68.31 -33.46 60.63 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.789 0 CA-C-N 115.207 -0.906 . . . . 1.06 111.329 176.262 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 539' ' ' ASN . . . . . . . . . . . . . 8.8 m120 -58.48 -26.55 63.53 Favored 'General case' 0 CA--C 1.515 -0.401 0 N-CA-C 110.595 -0.15 . . . . 0.25 110.595 176.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 540' ' ' LEU . . . . . . . . . . . . . 83.4 mt -75.62 -42.55 51.43 Favored 'General case' 0 C--N 1.324 -0.529 0 C-N-CA 120.45 -0.5 . . . . 1.11 109.762 173.005 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 541' ' ' GLY . . . . . 0.503 ' HA2' ' SD ' ' A' ' 572' ' ' MET . . . -65.16 -52.5 40.51 Favored Glycine 0 CA--C 1.523 0.558 0 N-CA-C 115.483 0.953 . . . . 0.19 115.483 -178.779 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 542' ' ' LEU . . . . . 0.467 ' HB2' ' CD1' ' A' ' 615' ' ' ILE . 45.5 mt -56.25 -47.25 99.24 Favored Pre-proline 0 C--N 1.321 -0.649 0 N-CA-C 114.931 1.456 . . . . 1.06 114.931 -168.444 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 543' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_exo -59.85 -26.31 81.93 Favored 'Trans proline' 0 C--N 1.348 0.549 0 C-N-CA 122.096 1.864 . . . . 0.25 113.609 -177.114 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 544' ' ' PHE . . . . . 0.441 ' HB2' ' HE1' ' A' ' 572' ' ' MET . 96.6 m-85 -97.92 -15.09 20.3 Favored 'General case' 0 C--N 1.332 -0.192 0 O-C-N 122.207 -0.308 . . . . 0.38 111.321 177.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 545' ' ' GLY . . . . . 0.43 ' O ' ' HA ' ' A' ' 542' ' ' LEU . . . 176.21 151.57 8.93 Favored Glycine 0 N--CA 1.449 -0.446 0 C-N-CA 120.793 -0.718 . . . . 0.44 112.039 -178.751 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 546' ' ' LYS . . . . . . . . . . . . . 38.3 ttpt -66.24 128.89 37.9 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 120.962 0.41 . . . . 2.62 110.852 -177.138 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 547' ' ' VAL . . . . . 0.512 ' HB ' HG13 ' A' ' 608' ' ' VAL . 70.3 t -86.94 115.25 27.44 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 CA-C-N 115.73 -0.668 . . . . 1.05 110.359 178.352 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 548' ' ' THR . . . . . . . . . . . . . 24.2 p -94.73 -34.6 12.47 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 116.075 -0.511 . . . . 1.11 111.427 -179.619 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 549' ' ' ASN . . . . . 0.452 ' HB2' ' CB ' ' A' ' 562' ' ' GLU . 17.7 m120 -143.5 156.51 44.64 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.069 -0.514 . . . . 1.49 110.183 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 550' ' ' TYR . . . . . 0.656 ' CG ' HD13 ' A' ' 538' ' ' ILE . 7.1 p90 -160.79 152.78 19.97 Favored 'General case' 0 C--N 1.319 -0.729 0 N-CA-C 109.559 -0.534 . . . . 0.96 109.559 -178.927 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 551' ' ' ILE . . . . . 0.669 HG23 ' N3 ' ' B' ' 5' ' ' ' U' . 70.7 mt -143.77 124.99 10.3 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 N-CA-C 108.336 -0.987 . . . . 1.1 108.336 -176.684 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 552' ' ' LEU . . . . . 0.535 HD11 ' N ' ' A' ' 534' ' ' GLU . 22.2 mt -106.7 125.65 51.27 Favored 'General case' 0 C--N 1.313 -0.98 0 C-N-CA 119.76 -0.776 . . . . 1.17 110.179 179.439 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 553' ' ' MET . . . . . . . . . . . . . 34.0 mtp -107.96 79.68 1.3 Allowed 'General case' 0 C--N 1.316 -0.88 0 N-CA-C 108.185 -1.043 . . . . 1.55 108.185 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 554' ' ' LYS . . . . . 0.422 ' HG3' " O4'" ' B' ' 6' ' ' ' A' . 23.9 mmtp -54.45 -29.87 50.97 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 114.828 -1.078 . . . . 1.63 112.712 176.52 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 555' ' ' SER . . . . . . . . . . . . . 64.1 p -68.94 -41.97 77.36 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 120.665 0.269 . . . . 0.7 111.55 -173.679 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 556' ' ' THR . . . . . . . . . . . . . 42.5 p -103.42 6.8 37.91 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 112.048 0.388 . . . . 1.14 112.048 -176.66 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 557' ' ' ASN . . . . . 0.461 ' HB3' ' O ' ' A' ' 527' ' ' LEU . 2.5 m-20 59.01 39.31 23.63 Favored 'General case' 0 N--CA 1.467 0.408 0 CA-C-O 121.767 0.794 . . . . 2.03 110.021 -176.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 558' ' ' GLN . . . . . . . . . . . . . 63.9 mt-30 -132.48 167.91 19.12 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 114.985 -1.007 . . . . 1.24 109.304 -176.272 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 559' ' ' ALA . . . . . . . . . . . . . . . -158.84 165.18 34.82 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.154 0.502 . . . . 1.04 111.804 176.476 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 560' ' ' PHE . . . . . 0.529 ' HB2' ' HB ' ' A' ' 551' ' ' ILE . 91.8 m-85 -120.34 150.05 41.35 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.753 -0.658 . . . . 0.46 110.485 174.474 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 561' ' ' LEU . . . . . 0.632 ' O ' ' HB ' ' A' ' 522' ' ' VAL . 56.0 tp -137.42 118.78 14.68 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.752 -0.658 . . . . 1.06 110.055 -179.467 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 562' ' ' GLU . . . . . 0.452 ' CB ' ' HB2' ' A' ' 549' ' ' ASN . 0.0 OUTLIER -102.83 136.78 42.02 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.383 0.611 . . . . 2.09 110.276 177.801 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 563' ' ' MET . . . . . 0.588 ' SD ' ' HA ' ' A' ' 569' ' ' ALA . 33.1 mtt -121.07 164.76 16.31 Favored 'General case' 0 C--N 1.313 -0.984 0 CA-C-N 115.211 -0.904 . . . . 1.06 109.895 -170.408 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 564' ' ' ALA . . . . . . . . . . . . . . . -59.61 -44.31 93.46 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 117.947 0.34 . . . . 1.25 111.844 -175.565 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 565' ' ' TYR . . . . . . . . . . . . . 75.2 m-85 -142.59 162.63 34.96 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.004 0.431 . . . . 1.39 111.673 -178.73 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 566' ' ' THR . . . . . 0.416 ' HB ' ' O ' ' A' ' 516' ' ' LYS . 9.8 t -60.09 -27.61 67.14 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.446 -0.797 . . . . 1.24 111.407 179.898 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 567' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -60.49 -32.65 71.63 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-N 116.172 -0.467 . . . . 0.89 111.071 179.348 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 568' ' ' ALA . . . . . 0.658 ' O ' ' HG3' ' A' ' 572' ' ' MET . . . -73.56 -42.54 61.52 Favored 'General case' 0 N--CA 1.451 -0.383 0 CA-C-N 115.96 -0.564 . . . . 1.08 109.879 179.71 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 569' ' ' ALA . . . . . 0.588 ' HA ' ' SD ' ' A' ' 563' ' ' MET . . . -63.2 -45.18 92.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.959 -0.564 . . . . 1.0 111.182 -176.743 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 570' ' ' GLN . . . . . . . . . . . . . 17.2 pt20 -67.29 -36.21 81.06 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.268 -0.424 . . . . 1.72 110.424 -178.578 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 571' ' ' ALA . . . . . . . . . . . . . . . -65.03 -45.5 85.2 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.272 -0.422 . . . . 1.08 110.85 178.292 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 572' ' ' MET . . . . . 0.658 ' HG3' ' O ' ' A' ' 568' ' ' ALA . 28.4 mtt -69.39 -45.75 68.52 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.365 -0.379 . . . . 1.05 110.961 -178.018 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 573' ' ' VAL . . . . . 0.579 ' O ' ' HG3' ' A' ' 577' ' ' GLN . 75.1 t -59.49 -46.46 92.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 N-CA-C 110.488 -0.19 . . . . 1.08 110.488 -178.404 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 574' ' ' GLN . . . . . . . . . . . . . 16.3 mm100 -62.02 -38.88 90.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.772 0.32 . . . . 2.79 110.89 177.809 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 575' ' ' TYR . . . . . . . . . . . . . 78.1 t80 -68.73 -52.32 31.91 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.026 -0.534 . . . . 1.09 110.75 -176.799 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 576' ' ' TYR . . . . . 0.476 ' CD2' HD12 ' A' ' 590' ' ' ILE . 83.6 m-85 -74.75 -13.13 60.56 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 112.91 0.708 . . . . 1.03 112.91 -176.27 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 577' ' ' GLN . . . . . 0.579 ' HG3' ' O ' ' A' ' 573' ' ' VAL . 43.0 mt-30 -71.7 -42.3 67.57 Favored 'General case' 0 C--N 1.325 -0.47 0 C-N-CA 120.227 -0.589 . . . . 2.14 109.596 171.132 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 578' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -86.12 -37.97 18.23 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.148 -0.478 . . . . 2.14 111.204 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 579' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -130.11 84.97 58.64 Favored Pre-proline 0 C--N 1.327 -0.412 0 CA-C-N 116.486 -0.324 . . . . 2.95 110.174 177.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 580' ' ' PRO . . . . . . . . . . . . . 39.5 Cg_endo -66.32 160.6 44.53 Favored 'Trans proline' 0 C--O 1.231 0.133 0 C-N-CA 122.843 2.362 . . . . 0.51 112.307 -178.647 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 581' ' ' ALA . . . . . . . . . . . . . . . -91.35 135.21 33.98 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 109.761 -0.459 . . . . 1.09 109.761 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 582' ' ' ILE . . . . . . . . . . . . . 23.7 mt -100.34 119.65 48.72 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.939 0 CA-C-N 116.529 -0.305 . . . . 1.19 111.094 -174.668 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 583' ' ' ILE . . . . . . . . . . . . . 31.4 mm -126.53 113.19 32.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 N-CA-C 109.235 -0.654 . . . . 1.21 109.235 173.78 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 584' ' ' ASN . . . . . . . . . . . . . 94.4 m-20 59.27 33.01 22.39 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-O 121.242 0.544 . . . . 1.34 110.296 -177.295 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 585' ' ' GLY . . . . . . . . . . . . . . . 81.37 5.57 89.9 Favored Glycine 0 N--CA 1.445 -0.702 0 CA-C-N 115.556 -0.747 . . . . 0.51 112.98 179.341 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 586' ' ' GLU . . . . . . . . . . . . . 9.1 mm-40 -101.1 125.84 47.75 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.773 0.287 . . . . 1.79 110.531 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 587' ' ' LYS . . . . . . . . . . . . . 33.6 mmtp -76.34 115.87 16.49 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.854 -0.612 . . . . 2.25 110.957 177.657 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 588' ' ' LEU . . . . . . . . . . . . . 50.2 mt -80.6 135.83 36.13 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.167 -0.469 . . . . 1.03 110.719 179.106 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 589' ' ' LEU . . . . . 0.498 ' HB3' ' SG ' ' A' ' 525' ' ' CYS . 53.0 tp -113.6 118.6 34.86 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.764 -0.653 . . . . 1.13 110.494 -179.646 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 590' ' ' ILE . . . . . 0.476 HD12 ' CD2' ' A' ' 576' ' ' TYR . 18.6 mt -100.19 128.59 52.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 N-CA-C 109.778 -0.453 . . . . 1.08 109.778 175.879 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 591' ' ' ARG . . . . . . . . . . . . . 18.2 mmm180 -142.97 153.0 42.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.507 -0.315 . . . . 3.18 110.826 -173.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 592' ' ' MET . . . . . . . . . . . . . 58.8 mtt -83.14 132.05 35.11 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 109.855 -0.424 . . . . 1.13 109.855 175.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 593' ' ' SER . . . . . 0.633 ' HB3' ' O2 ' ' B' ' 3' ' ' ' C' . 49.9 m -77.69 137.11 38.33 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 121.538 0.685 . . . . 1.65 112.4 -176.099 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 594' ' ' THR . . . . . . . . . . . . . 21.1 p -91.82 -14.58 29.55 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 114.495 -1.229 . . . . 1.14 111.832 179.78 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 595' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -101.38 -27.88 12.9 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 112.265 0.469 . . . . 3.37 112.265 -169.371 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 596' ' ' TYR . . . . . 0.416 ' CB ' HG23 ' A' ' 521' ' ' VAL . 77.0 m-85 -120.44 155.4 33.58 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 121.23 0.538 . . . . 1.15 111.665 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 597' ' ' LYS . . . . . . . . . . . . . 15.4 mtmt -108.09 -28.45 9.52 Favored 'General case' 0 C--O 1.22 -0.492 0 CA-C-N 114.988 -1.005 . . . . 2.63 110.904 -178.46 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 598' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -142.39 149.29 39.16 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 120.986 0.422 . . . . 0.95 110.77 -176.084 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 599' ' ' LEU . . . . . 0.456 HD23 HG11 ' A' ' 521' ' ' VAL . 48.8 mt -100.74 126.63 47.31 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.715 -0.675 . . . . 1.18 110.917 177.551 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 600' ' ' GLN . . . . . . . . . . . . . 13.8 pt20 -113.52 138.36 50.24 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.927 -0.579 . . . . 1.65 109.76 177.063 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 601' ' ' LEU . . . . . . . . . . . . . 65.6 mt -86.28 89.31 7.82 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 120.709 0.29 . . . . 1.23 111.201 -177.729 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 602' ' ' LYS . . . . . . . . . . . . . 14.5 mmmm -66.52 -27.23 67.6 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.599 0.714 . . . . 2.22 109.178 171.223 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 603' ' ' LYS . . . . . . . . . . . . . 34.6 mmtp -116.41 135.21 22.83 Favored Pre-proline 0 C--N 1.324 -0.515 0 CA-C-N 115.06 -0.973 . . . . 2.26 108.867 173.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 604' ' ' PRO . . . . . . . . . . . . . 27.7 Cg_endo -61.91 165.1 14.86 Favored 'Trans proline' 0 C--O 1.234 0.315 0 C-N-CA 122.913 2.409 . . . . 1.26 112.815 -176.257 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 605' ' ' GLY . . . . . . . . . . . . . . . -127.57 133.46 7.89 Favored Glycine 0 N--CA 1.438 -1.189 0 CA-C-N 115.648 -0.705 . . . . 1.23 111.709 -177.716 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 606' ' ' LYS . . . . . . . . . . . . . 5.6 ptpp? -73.75 167.06 22.16 Favored 'General case' 0 C--N 1.317 -0.809 0 N-CA-C 109.561 -0.533 . . . . 3.96 109.561 176.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 607' ' ' ASN . . . . . . . . . . . . . 26.3 t-20 -57.19 121.08 9.24 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.128 0.49 . . . . 1.8 110.895 177.534 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 608' ' ' VAL . . . . . 0.512 HG13 ' HB ' ' A' ' 547' ' ' VAL . 68.8 t -87.11 -16.74 9.12 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-N 115.719 -0.673 . . . . 1.07 111.084 -175.27 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 609' ' ' ALA . . . . . . . . . . . . . . . -64.17 -34.64 78.53 Favored 'General case' 0 C--O 1.236 0.372 0 CA-C-O 121.264 0.554 . . . . 1.27 110.856 176.382 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 610' ' ' ALA . . . . . . . . . . . . . . . -63.92 -28.56 69.91 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.993 -0.549 . . . . 1.14 110.109 176.254 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 611' ' ' ILE . . . . . 0.412 ' HA ' ' OD1' ' A' ' 614' ' ' ASP . 77.0 mt -70.85 -30.89 43.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 115.766 -0.652 . . . . 1.03 109.642 178.765 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 612' ' ' ILE . . . . . 0.406 ' CG1' HD12 ' A' ' 542' ' ' LEU . 67.1 mt -60.28 -41.89 88.63 Favored 'Isoleucine or valine' 0 C--O 1.235 0.29 0 CA-C-O 121.301 0.572 . . . . 1.11 109.706 172.358 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 613' ' ' GLN . . . . . . . . . . . . . 30.6 mm-40 -64.38 -30.36 71.4 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.517 -0.765 . . . . 3.02 110.428 177.286 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 614' ' ' ASP . . . . . 0.412 ' OD1' ' HA ' ' A' ' 611' ' ' ILE . 37.3 m-20 -66.53 -42.98 86.39 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.808 -0.633 . . . . 1.95 110.359 177.608 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 615' ' ' ILE . . . . . 0.467 ' CD1' ' HB2' ' A' ' 542' ' ' LEU . 84.5 mt -63.39 -46.57 95.02 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.186 0 CA-C-O 121.233 0.54 . . . . 1.08 110.736 179.051 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 616' ' ' HIS . . . . . . . . . . . . . 48.5 m170 -63.23 -35.28 79.8 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.355 -0.839 . . . . 1.73 110.845 -178.491 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 617' ' ' SER . . . . . . . . . . . . . 38.7 m -75.07 -30.6 61.02 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.406 -0.361 . . . . 1.77 111.038 177.69 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 618' ' ' GLN . . . . . . . . . . . . . 76.4 mt-30 69.63 170.24 0.3 Allowed 'General case' 0 N--CA 1.467 0.387 0 CA-C-N 115.542 -0.754 . . . . 5.45 111.492 -178.278 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 619' ' ' ARG . . . . . . . . . . . . . 68.1 mtp180 -130.01 126.82 38.66 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.704 -0.68 . . . . 8.54 109.535 176.309 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 620' ' ' GLU . . . . . . . . . . . . . 20.2 mm-40 -80.09 66.81 5.71 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.491 -0.322 . . . . 7.92 110.587 -177.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 621' ' ' ARG . . . . . . . . . . . . . 78.8 mtp180 . . . . . 0 C--O 1.25 1.091 0 CA-C-O 118.295 -0.86 . . . . 11.52 110.655 -177.672 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 1' ' ' ADN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 2' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.958 0 C3'-C2'-C1' 99.447 -2.281 . 0.0 '__' . 2.99 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 3' ' ' ' C' . . . . . 0.473 ' O2 ' ' HB3' ' A' ' 593' ' ' SER . . . . . . . . 0 O5'--C5' 1.428 -0.749 0 C4'-C3'-C2' 103.924 1.224 . 0.0 OUTLIER . 1.58 . . . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 4' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.424 -1.009 0 C3'-C2'-C1' 99.675 -2.027 . 0.549 0b . 1.21 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 5' ' ' ' U' . . . . . 0.604 ' C2 ' HG22 ' A' ' 551' ' ' ILE . . . . . . . . 0 O5'--C5' 1.424 -0.976 0 C4'-C3'-C2' 104.09 1.39 . 0.102 0b . 1.33 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 6' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.869 0 C3'-C2'-C1' 100.814 -0.762 . 0.0 OUTLIER gamma 4.58 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 510' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.86 0 N-CA-C 112.021 -0.431 . . . . 9.27 112.021 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 511' ' ' ALA . . . . . . . . . . . . . . . 71.53 -51.59 0.69 Allowed 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 123.609 0.764 . . . . 6.96 112.779 176.419 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 512' ' ' MET . . . . . . . . . . . . . 51.3 ttm -58.51 -66.19 0.53 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.575 0.226 . . . . 6.68 111.411 -175.56 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 513' ' ' ALA . . . . . . . . . . . . . . . -124.1 16.2 9.19 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.191 0.519 . . . . 4.66 110.507 -179.905 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 514' ' ' GLN . . . . . . . . . . . . . 14.0 mm100 -123.24 119.94 31.65 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.708 -0.678 . . . . 2.88 111.233 -178.724 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 515' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -98.48 106.07 18.3 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.533 -0.758 . . . . 4.64 109.423 175.136 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 516' ' ' LYS . . . . . . . . . . . . . 44.0 mmtm -139.75 51.04 1.74 Allowed 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.981 -0.554 . . . . 2.38 110.578 -176.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 517' ' ' GLY . . . . . . . . . . . . . . . -113.12 -57.54 0.42 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.926 -0.654 . . . . 2.04 112.185 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 518' ' ' ALA . . . . . . . . . . . . . . . -89.61 -14.86 34.06 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.557 0.694 . . . . 1.94 110.689 179.39 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 519' ' ' GLY . . . . . . . . . . . . . . . -149.69 127.33 2.42 Favored Glycine 0 C--N 1.313 -0.706 0 CA-C-N 114.774 -1.103 . . . . 0.98 110.587 177.785 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 520' ' ' ARG . . . . . . . . . . . . . 16.5 mtm-85 -125.97 133.44 51.81 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 121.47 0.652 . . . . 2.86 111.9 -177.202 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 521' ' ' VAL . . . . . 0.464 HG12 HD23 ' A' ' 599' ' ' LEU . 97.6 t -117.53 120.71 65.64 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.71 0 CA-C-N 114.888 -1.051 . . . . 1.14 109.778 170.134 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 522' ' ' VAL . . . . . 0.446 ' HB ' ' O ' ' A' ' 561' ' ' LEU . 24.5 t -120.86 122.31 67.47 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.933 0 N-CA-C 108.414 -0.958 . . . . 1.05 108.414 179.268 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 523' ' ' HIS . . . . . . . . . . . . . 56.1 t-80 -105.31 131.21 53.04 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 121.183 0.516 . . . . 0.57 110.532 -175.497 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 524' ' ' ILE . . . . . 0.425 HG12 HG12 ' A' ' 590' ' ' ILE . 31.3 mt -111.4 138.85 38.17 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.908 0 CA-C-N 115.138 -0.937 . . . . 1.06 108.509 178.519 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 525' ' ' CYS . . . . . 0.495 ' SG ' ' HB3' ' A' ' 589' ' ' LEU . 1.6 p -140.73 164.78 29.28 Favored 'General case' 0 C--N 1.313 -1.013 0 C-N-CA 120.458 -0.497 . . . . 1.75 111.608 -175.923 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 526' ' ' ASN . . . . . 0.428 ' HB2' ' O ' ' A' ' 525' ' ' CYS . 77.8 m-20 86.46 27.24 0.05 OUTLIER 'General case' 0 N--CA 1.469 0.516 0 O-C-N 125.0 1.437 . . . . 0.28 110.11 176.791 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 527' ' ' LEU . . . . . 0.425 ' HB3' ' SG ' ' A' ' 532' ' ' CYS . 80.6 mt -87.21 123.83 69.34 Favored Pre-proline 0 C--N 1.324 -0.509 0 CA-C-N 115.258 -0.883 . . . . 1.04 108.794 178.373 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 528' ' ' PRO . . . . . . . . . . . . . 9.4 Cg_exo -72.04 135.35 25.08 Favored 'Trans proline' 0 N--CA 1.461 -0.393 0 C-N-CA 121.756 1.638 . . . . 0.5 111.751 179.766 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 529' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -64.94 138.61 58.47 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 109.242 -0.651 . . . . 1.6 109.242 176.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 530' ' ' GLY . . . . . . . . . . . . . . . 87.81 5.01 78.45 Favored Glycine 0 N--CA 1.446 -0.689 0 C-N-CA 119.944 -1.122 . . . . 0.52 110.926 -172.336 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 531' ' ' SER . . . . . . . . . . . . . 56.8 m -153.5 7.68 0.37 Allowed 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.03 0.443 . . . . 1.49 110.51 -176.557 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 532' ' ' CYS . . . . . 0.476 ' HB2' ' HD2' ' A' ' 554' ' ' LYS . 60.6 m -88.61 78.64 7.73 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 108.17 -1.048 . . . . 0.25 108.17 175.316 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 533' ' ' THR . . . . . 0.491 ' O ' HG22 ' A' ' 537' ' ' VAL . 29.1 p -95.7 153.03 17.94 Favored 'General case' 0 C--N 1.315 -0.905 0 C-N-CA 119.611 -0.836 . . . . 1.1 109.258 -176.062 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 534' ' ' GLU . . . . . 0.544 ' HA ' HD11 ' A' ' 552' ' ' LEU . 2.2 mp0 -63.93 -33.96 76.9 Favored 'General case' 0 C--N 1.318 -0.771 0 N-CA-C 108.789 -0.819 . . . . 1.64 108.789 176.489 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 535' ' ' ASN . . . . . . . . . . . . . 66.4 t30 -64.47 -50.02 69.1 Favored 'General case' 0 C--O 1.213 -0.868 0 CA-C-N 114.982 -1.008 . . . . 1.86 111.009 -176.362 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 536' ' ' ASP . . . . . . . . . . . . . 46.9 m-20 -69.96 -44.82 68.7 Favored 'General case' 0 N--CA 1.472 0.643 0 CA-C-O 121.345 0.593 . . . . 0.61 111.396 -171.677 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 537' ' ' VAL . . . . . 0.491 HG22 ' O ' ' A' ' 533' ' ' THR . 39.2 t -59.85 -48.12 88.89 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 CA-C-N 115.052 -0.976 . . . . 1.03 109.738 -178.902 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 538' ' ' ILE . . . . . 0.642 HD12 ' CG ' ' A' ' 550' ' ' TYR . 62.1 mt -68.93 -33.42 59.02 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.721 0 CA-C-N 115.21 -0.905 . . . . 1.06 111.84 176.664 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 539' ' ' ASN . . . . . . . . . . . . . 11.5 m120 -57.95 -27.67 63.62 Favored 'General case' 0 CA--C 1.51 -0.56 0 O-C-N 122.115 -0.365 . . . . 0.25 110.097 176.895 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 540' ' ' LEU . . . . . 0.439 HD22 ' OH ' ' A' ' 576' ' ' TYR . 81.8 mt -75.74 -41.93 51.91 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 109.916 -0.402 . . . . 1.11 109.916 174.545 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 541' ' ' GLY . . . . . 0.464 ' HA2' ' SD ' ' A' ' 572' ' ' MET . . . -67.04 -52.71 30.81 Favored Glycine 0 CA--C 1.521 0.464 0 N-CA-C 115.537 0.975 . . . . 0.19 115.537 -178.929 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 542' ' ' LEU . . . . . 0.431 ' HB2' ' CD1' ' A' ' 615' ' ' ILE . 39.7 mt -56.17 -48.41 96.92 Favored Pre-proline 0 C--N 1.321 -0.647 0 N-CA-C 114.641 1.349 . . . . 1.06 114.641 -168.457 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 543' ' ' PRO . . . . . . . . . . . . . 48.6 Cg_exo -60.63 -24.5 78.63 Favored 'Trans proline' 0 C--N 1.347 0.455 0 C-N-CA 121.986 1.791 . . . . 0.25 113.565 -177.262 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 544' ' ' PHE . . . . . 0.482 ' HB2' ' HE2' ' A' ' 572' ' ' MET . 81.9 m-85 -99.17 -15.67 18.85 Favored 'General case' 0 C--O 1.235 0.325 0 O-C-N 121.851 -0.531 . . . . 0.38 111.25 177.335 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 545' ' ' GLY . . . . . 0.414 ' O ' ' HA ' ' A' ' 542' ' ' LEU . . . 178.74 152.54 10.52 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.691 -0.766 . . . . 0.44 112.651 -178.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 546' ' ' LYS . . . . . . . . . . . . . 62.4 tttp -65.44 124.01 21.15 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.09 0.471 . . . . 2.62 111.227 -178.343 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 547' ' ' VAL . . . . . 0.515 HG21 HG21 ' A' ' 538' ' ' ILE . 78.3 t -85.31 115.14 26.49 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.441 0 CA-C-N 115.507 -0.77 . . . . 1.05 110.39 177.335 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 548' ' ' THR . . . . . . . . . . . . . 22.4 p -93.78 -35.96 12.51 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 116.301 -0.409 . . . . 1.11 111.463 178.048 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 549' ' ' ASN . . . . . . . . . . . . . 92.4 m-20 -143.68 161.87 37.44 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.041 0.448 . . . . 1.49 110.685 178.81 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 550' ' ' TYR . . . . . 0.642 ' CG ' HD12 ' A' ' 538' ' ' ILE . 3.8 p90 -161.5 152.21 17.93 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.723 -0.671 . . . . 0.96 109.276 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 551' ' ' ILE . . . . . 0.604 HG22 ' C2 ' ' B' ' 5' ' ' ' U' . 49.5 mt -140.99 123.16 14.88 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 N-CA-C 108.372 -0.973 . . . . 1.1 108.372 -176.505 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 552' ' ' LEU . . . . . 0.544 HD11 ' HA ' ' A' ' 534' ' ' GLU . 20.6 mt -108.2 120.68 43.05 Favored 'General case' 0 C--N 1.316 -0.854 0 C-N-CA 120.082 -0.647 . . . . 1.17 111.063 -176.685 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 553' ' ' MET . . . . . 0.584 ' HA ' " H4'" ' B' ' 5' ' ' ' U' . 72.2 mtm -110.12 82.61 1.62 Allowed 'General case' 0 C--N 1.321 -0.662 0 C-N-CA 119.893 -0.723 . . . . 1.55 109.218 178.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 554' ' ' LYS . . . . . 0.476 ' HD2' ' HB2' ' A' ' 532' ' ' CYS . 23.0 mmtp -53.44 -28.8 32.11 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 114.839 -1.073 . . . . 1.63 112.136 174.099 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 555' ' ' SER . . . . . . . . . . . . . 60.7 p -70.41 -39.81 74.23 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 111.99 0.367 . . . . 0.7 111.99 -174.136 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 556' ' ' THR . . . . . . . . . . . . . 41.0 p -102.41 2.78 37.05 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 112.667 0.617 . . . . 1.14 112.667 -177.682 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 557' ' ' ASN . . . . . . . . . . . . . 4.2 m-20 59.21 39.1 23.16 Favored 'General case' 0 C--O 1.237 0.406 0 CA-C-O 121.708 0.766 . . . . 2.03 110.31 -175.573 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 558' ' ' GLN . . . . . 0.418 ' HB2' ' HE1' ' A' ' 553' ' ' MET . 70.4 mt-30 -140.34 165.1 28.31 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.231 -0.895 . . . . 1.24 109.648 -177.03 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 559' ' ' ALA . . . . . . . . . . . . . . . -157.68 165.98 34.02 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.104 0.478 . . . . 1.04 111.858 -177.603 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 560' ' ' PHE . . . . . 0.5 ' HB2' ' HB ' ' A' ' 551' ' ' ILE . 95.0 m-85 -119.31 149.84 41.13 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.97 -0.559 . . . . 0.46 110.721 176.606 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 561' ' ' LEU . . . . . 0.446 ' O ' ' HB ' ' A' ' 522' ' ' VAL . 51.4 tp -136.65 119.5 16.28 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.891 -0.595 . . . . 1.06 110.198 -179.865 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 562' ' ' GLU . . . . . 0.411 ' HB2' HD11 ' A' ' 599' ' ' LEU . 33.3 tt0 -100.33 126.78 46.72 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.206 0.527 . . . . 2.09 110.527 178.8 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 563' ' ' MET . . . . . 0.637 ' SD ' ' HA ' ' A' ' 569' ' ' ALA . 33.2 mtt -115.45 150.1 37.0 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.34 -0.845 . . . . 1.06 109.416 -175.503 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 564' ' ' ALA . . . . . . . . . . . . . . . -76.24 -16.07 59.89 Favored 'General case' 0 C--N 1.328 -0.339 0 O-C-N 123.368 0.418 . . . . 1.25 111.977 -171.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 565' ' ' TYR . . . . . 0.476 ' HB3' ' HG2' ' A' ' 567' ' ' GLU . 79.7 m-85 -142.68 144.54 32.78 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.191 -0.459 . . . . 1.39 110.139 -179.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 566' ' ' THR . . . . . 0.405 ' O ' ' HG2' ' A' ' 570' ' ' GLN . 4.5 t -68.41 -26.6 65.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.737 -0.665 . . . . 1.24 110.059 -178.247 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 567' ' ' GLU . . . . . 0.478 ' HA ' HE21 ' A' ' 570' ' ' GLN . 8.9 pt-20 -57.22 -32.58 66.67 Favored 'General case' 0 C--N 1.334 -0.09 0 CA-C-N 115.663 -0.698 . . . . 0.89 110.428 175.336 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 568' ' ' ALA . . . . . 0.662 ' O ' ' HG3' ' A' ' 572' ' ' MET . . . -72.96 -43.62 62.06 Favored 'General case' 0 N--CA 1.448 -0.559 0 CA-C-N 116.034 -0.53 . . . . 1.08 110.044 -177.932 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 569' ' ' ALA . . . . . 0.637 ' HA ' ' SD ' ' A' ' 563' ' ' MET . . . -63.35 -46.88 84.51 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.783 -0.644 . . . . 1.0 111.357 -175.625 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 570' ' ' GLN . . . . . 0.478 HE21 ' HA ' ' A' ' 567' ' ' GLU . 23.5 pt20 -70.06 -36.18 74.78 Favored 'General case' 0 C--N 1.325 -0.485 0 C-N-CA 120.712 -0.395 . . . . 1.72 110.77 -179.266 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 571' ' ' ALA . . . . . . . . . . . . . . . -62.64 -43.95 97.5 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.541 0.21 . . . . 1.08 110.955 178.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 572' ' ' MET . . . . . 0.662 ' HG3' ' O ' ' A' ' 568' ' ' ALA . 30.6 mtt -65.47 -44.39 87.28 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 110.137 -0.32 . . . . 1.05 110.137 179.249 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 573' ' ' VAL . . . . . 0.588 HG23 ' O ' ' A' ' 569' ' ' ALA . 97.8 t -59.05 -47.02 91.36 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.494 -0.321 . . . . 1.08 110.14 177.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 574' ' ' GLN . . . . . 0.46 ' HG2' ' O ' ' A' ' 570' ' ' GLN . 31.0 mm-40 -61.49 -40.37 94.33 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.465 -0.334 . . . . 2.79 110.965 179.85 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 575' ' ' TYR . . . . . . . . . . . . . 84.3 t80 -68.65 -52.6 29.46 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.131 -0.486 . . . . 1.09 111.0 -179.017 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 576' ' ' TYR . . . . . 0.493 ' CE2' HD12 ' A' ' 590' ' ' ILE . 61.1 m-85 -72.71 -13.35 61.32 Favored 'General case' 0 N--CA 1.464 0.246 0 N-CA-C 112.804 0.668 . . . . 1.03 112.804 -176.518 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 577' ' ' GLN . . . . . 0.575 ' HG3' ' O ' ' A' ' 573' ' ' VAL . 93.8 mt-30 -68.77 -41.35 78.93 Favored 'General case' 0 C--N 1.326 -0.416 0 C-N-CA 120.341 -0.543 . . . . 2.14 109.658 169.671 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 578' ' ' GLU . . . . . . . . . . . . . 30.4 mm-40 -86.36 -38.95 16.92 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.824 -0.625 . . . . 2.14 111.123 179.876 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 579' ' ' LYS . . . . . 0.479 ' O ' ' HA ' ' A' ' 576' ' ' TYR . 26.7 mtpp -135.53 90.47 20.07 Favored Pre-proline 0 C--N 1.323 -0.568 0 CA-C-N 116.432 -0.349 . . . . 2.95 110.233 176.167 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 580' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_endo -64.78 160.74 39.23 Favored 'Trans proline' 0 N--CA 1.462 -0.35 0 C-N-CA 122.276 1.984 . . . . 0.51 111.608 177.884 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 581' ' ' ALA . . . . . 0.49 ' O ' ' HG ' ' A' ' 588' ' ' LEU . . . -91.06 130.26 36.98 Favored 'General case' 0 C--N 1.323 -0.587 0 N-CA-C 109.318 -0.623 . . . . 1.09 109.318 178.887 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 582' ' ' ILE . . . . . . . . . . . . . 48.8 mt -102.91 121.76 54.47 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.759 0 CA-C-O 120.736 0.303 . . . . 1.19 111.374 -172.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 583' ' ' ILE . . . . . . . . . . . . . 30.8 mm -127.96 113.7 31.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 N-CA-C 109.654 -0.499 . . . . 1.21 109.654 176.126 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 584' ' ' ASN . . . . . . . . . . . . . 86.3 m-20 58.14 33.77 23.5 Favored 'General case' 0 N--CA 1.467 0.415 0 CA-C-O 121.132 0.491 . . . . 1.34 110.578 -178.776 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 585' ' ' GLY . . . . . . . . . . . . . . . 84.02 3.83 88.85 Favored Glycine 0 N--CA 1.444 -0.791 0 CA-C-N 115.561 -0.745 . . . . 0.51 113.666 176.854 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 586' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -106.85 126.22 52.03 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 117.344 0.572 . . . . 1.79 110.473 177.801 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 587' ' ' LYS . . . . . . . . . . . . . 59.6 mttp -75.92 121.98 23.47 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.608 -0.724 . . . . 2.25 111.13 177.774 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 588' ' ' LEU . . . . . 0.49 ' HG ' ' O ' ' A' ' 581' ' ' ALA . 49.4 mt -80.74 137.26 36.26 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 116.028 -0.533 . . . . 1.03 110.821 -179.181 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 589' ' ' LEU . . . . . 0.495 ' HB3' ' SG ' ' A' ' 525' ' ' CYS . 56.0 tp -112.3 112.14 23.51 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.7 -0.682 . . . . 1.13 110.399 -179.251 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 590' ' ' ILE . . . . . 0.493 HD12 ' CE2' ' A' ' 576' ' ' TYR . 18.6 mt -104.91 118.91 53.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 116.254 -0.43 . . . . 1.08 110.104 177.08 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 591' ' ' ARG . . . . . . . . . . . . . 38.9 mtm180 -146.22 165.78 28.17 Favored 'General case' 0 N--CA 1.463 0.203 0 CA-C-O 120.67 0.271 . . . . 3.18 110.571 179.553 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 592' ' ' MET . . . . . . . . . . . . . 64.9 mtt -81.71 129.02 34.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.257 -0.429 . . . . 1.13 110.194 -176.126 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 593' ' ' SER . . . . . 0.473 ' HB3' ' O2 ' ' B' ' 3' ' ' ' C' . 28.0 m -69.21 136.42 52.01 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.35 0.595 . . . . 1.65 111.576 -177.182 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 594' ' ' THR . . . . . . . . . . . . . 22.9 p -90.53 -10.17 44.52 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 114.944 -1.025 . . . . 1.14 111.746 -177.278 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 595' ' ' ARG . . . . . 0.435 ' HD2' " O2'" ' B' ' 3' ' ' ' C' . 97.8 mtt180 -102.61 -28.62 12.04 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 112.561 0.578 . . . . 3.37 112.561 -172.14 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 596' ' ' TYR . . . . . . . . . . . . . 81.1 m-85 -125.68 146.1 49.88 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.198 0.523 . . . . 1.15 112.267 -173.637 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 597' ' ' LYS . . . . . . . . . . . . . 49.1 mtmt -109.6 -7.77 15.07 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.454 -0.793 . . . . 2.63 111.857 177.56 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 598' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -142.82 148.92 37.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.107 0.479 . . . . 0.95 110.943 177.33 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 599' ' ' LEU . . . . . 0.464 HD23 HG12 ' A' ' 521' ' ' VAL . 37.3 mt -107.14 122.22 46.06 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.396 -0.82 . . . . 1.18 111.06 174.832 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 600' ' ' GLN . . . . . . . . . . . . . 49.5 tt0 -113.07 119.34 37.51 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.389 -0.823 . . . . 1.65 110.363 -177.751 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 601' ' ' LEU . . . . . . . . . . . . . 30.5 mt -79.32 78.08 5.83 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.986 0.422 . . . . 1.23 111.0 179.538 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 602' ' ' LYS . . . . . . . . . . . . . 56.7 mtmt -68.98 -20.24 64.17 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.812 -0.631 . . . . 2.22 109.901 176.351 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 603' ' ' LYS . . . . . 0.502 ' HB2' ' N3 ' ' B' ' 5' ' ' ' U' . 33.6 mmtp -118.55 130.95 24.48 Favored Pre-proline 0 C--N 1.324 -0.514 0 N-CA-C 108.768 -0.827 . . . . 2.26 108.768 171.535 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 604' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_endo -68.89 166.38 26.66 Favored 'Trans proline' 0 C--O 1.233 0.262 0 C-N-CA 122.956 2.438 . . . . 1.26 113.286 -173.212 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 605' ' ' GLY . . . . . . . . . . . . . . . -144.52 167.64 26.98 Favored Glycine 0 N--CA 1.437 -1.288 0 CA-C-N 115.473 -0.785 . . . . 1.23 111.49 179.855 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 606' ' ' LYS . . . . . . . . . . . . . 36.0 mtmm -82.04 166.61 19.63 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-O 120.626 0.251 . . . . 3.96 110.52 179.779 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 607' ' ' ASN . . . . . . . . . . . . . 28.5 t-20 -58.6 131.91 52.23 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.149 0.5 . . . . 1.8 111.779 178.237 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 608' ' ' VAL . . . . . 0.515 HG11 ' HB ' ' A' ' 547' ' ' VAL . 93.2 t -88.1 -24.79 6.08 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.429 0 CA-C-N 115.607 -0.724 . . . . 1.07 111.898 -175.465 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 609' ' ' ALA . . . . . . . . . . . . . . . -61.14 -36.63 80.28 Favored 'General case' 0 C--O 1.237 0.426 0 CA-C-O 121.384 0.611 . . . . 1.27 110.956 178.482 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 610' ' ' ALA . . . . . . . . . . . . . . . -61.82 -28.22 69.32 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.794 -0.639 . . . . 1.14 110.305 176.227 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 611' ' ' ILE . . . . . 0.422 ' HB ' ' O ' ' A' ' 608' ' ' VAL . 72.6 mt -71.88 -32.2 43.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 115.575 -0.739 . . . . 1.03 110.015 178.929 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 612' ' ' ILE . . . . . 0.43 HG12 HD11 ' A' ' 542' ' ' LEU . 48.8 mt -60.5 -44.72 97.07 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.244 0 CA-C-O 121.248 0.547 . . . . 1.11 109.677 175.189 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 613' ' ' GLN . . . . . . . . . . . . . 12.5 mm100 -68.45 -29.46 68.11 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.71 -0.677 . . . . 3.02 110.19 177.614 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 614' ' ' ASP . . . . . 0.428 ' O ' ' HG3' ' A' ' 618' ' ' GLN . 7.8 t70 -65.65 -41.12 92.93 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.533 -0.758 . . . . 1.95 109.672 177.269 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 615' ' ' ILE . . . . . 0.431 ' CD1' ' HB2' ' A' ' 542' ' ' LEU . 88.5 mt -61.02 -43.71 96.7 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.168 0 CA-C-O 121.009 0.433 . . . . 1.08 110.3 174.768 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 616' ' ' HIS . . . . . . . . . . . . . 81.3 m-70 -63.37 -26.22 68.65 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.685 -0.688 . . . . 1.73 110.909 177.769 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 617' ' ' SER . . . . . . . . . . . . . 34.7 m -74.67 -26.6 59.96 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.256 -0.429 . . . . 1.77 110.86 174.626 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 618' ' ' GLN . . . . . 0.428 ' HG3' ' O ' ' A' ' 614' ' ' ASP . 72.1 mt-30 -90.09 95.36 10.17 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.328 -0.396 . . . . 5.45 110.931 -178.338 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 619' ' ' ARG . . . . . . . . . . . . . 92.0 mtt180 62.77 178.13 0.14 Allowed 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 115.559 -0.746 . . . . 8.54 111.644 -179.522 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 620' ' ' GLU . . . . . . . . . . . . . 48.9 mm-40 55.91 46.71 21.52 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-N 115.864 -0.607 . . . . 7.92 110.977 -179.839 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 621' ' ' ARG . . . . . . . . . . . . . 83.2 mtp180 . . . . . 0 C--O 1.249 1.058 0 CA-C-O 118.348 -0.834 . . . . 11.52 110.152 -178.827 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 1' ' ' ADN . . . . . 0.411 " H2'" ' C6 ' ' B' ' 2' ' ' ' U' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 2' ' ' ' U' . . . . . 0.411 ' C6 ' " H2'" ' B' ' 1' ' ' ADN . . . . . . . . 0 O5'--C5' 1.427 -0.8 0 C3'-C2'-C1' 99.043 -2.73 . 0.0 '__' . 2.99 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 3' ' ' ' C' . . . . . 0.606 ' O2 ' ' HB3' ' A' ' 593' ' ' SER . . . . . . . . 0 O5'--C5' 1.426 -0.896 0 C3'-C2'-C1' 100.663 -0.93 . 0.594 2[ . 1.58 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 4' ' ' ' U' . . . . . 0.452 " H4'" ' SD ' ' A' ' 553' ' ' MET . . . . . . . . 0 O5'--C5' 1.425 -0.919 0 C4'-C3'-C2' 104.058 1.358 . 0.0 OUTLIER . 1.21 . . . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 5' ' ' ' U' . . . . . 0.615 ' N3 ' HG22 ' A' ' 551' ' ' ILE . . . . . . . . 0 O5'--C5' 1.425 -0.913 0 C4'-C3'-C2' 103.976 1.276 . 0.141 4b . 1.33 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 6' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.963 0 C3'-C2'-C1' 100.767 -0.815 . 0.0 OUTLIER . 4.58 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 510' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.585 0 N-CA-C 111.595 -0.602 . . . . 9.27 111.595 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 511' ' ' ALA . . . . . . . . . . . . . . . -129.81 18.85 5.62 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.135 0.493 . . . . 6.96 110.416 178.506 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 512' ' ' MET . . . . . . . . . . . . . 22.8 ptp -89.91 163.89 14.8 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.712 -0.676 . . . . 6.68 110.654 -179.057 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 513' ' ' ALA . . . . . . . . . . . . . . . 57.93 33.74 23.54 Favored 'General case' 0 C--O 1.235 0.318 0 O-C-N 123.726 0.641 . . . . 4.66 111.213 178.626 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 514' ' ' GLN . . . . . 0.415 ' O ' ' HG2' ' A' ' 516' ' ' LYS . 16.0 mm100 67.3 113.06 0.04 OUTLIER 'General case' 0 N--CA 1.463 0.179 0 CA-C-N 115.567 -0.742 . . . . 2.88 110.893 -176.575 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 515' ' ' ARG . . . . . . . . . . . . . 80.8 mtp180 -46.64 120.59 3.01 Favored 'General case' 0 N--CA 1.467 0.412 0 CA-C-N 115.685 -0.689 . . . . 4.64 112.347 -176.817 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 516' ' ' LYS . . . . . 0.675 ' HE2' ' SD ' ' A' ' 592' ' ' MET . 41.4 mmtm -139.11 21.85 2.61 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-N 116.128 -0.487 . . . . 2.38 110.357 175.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 517' ' ' GLY . . . . . . . . . . . . . . . -98.41 -100.35 2.16 Favored Glycine 0 N--CA 1.449 -0.49 0 C-N-CA 120.928 -0.653 . . . . 2.04 111.638 177.611 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 518' ' ' ALA . . . . . . . . . . . . . . . -84.01 55.57 3.35 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.346 0.593 . . . . 1.94 110.231 177.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 519' ' ' GLY . . . . . . . . . . . . . . . 155.49 97.35 0.14 Allowed Glycine 0 N--CA 1.443 -0.863 0 CA-C-N 115.333 -0.849 . . . . 0.98 111.181 -177.428 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 520' ' ' ARG . . . . . . . . . . . . . 15.8 mtm-85 -124.54 133.22 53.37 Favored 'General case' 0 C--N 1.323 -0.583 0 C-N-CA 120.791 -0.364 . . . . 2.86 110.262 178.537 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 521' ' ' VAL . . . . . 0.53 HG12 HD21 ' A' ' 599' ' ' LEU . 63.5 t -118.65 120.41 64.08 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 CA-C-N 116.087 -0.506 . . . . 1.14 110.418 168.743 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 522' ' ' VAL . . . . . 0.541 ' HB ' ' O ' ' A' ' 561' ' ' LEU . 26.1 t -120.27 122.11 67.44 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.867 0 N-CA-C 107.753 -1.203 . . . . 1.05 107.753 175.693 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 523' ' ' HIS . . . . . . . . . . . . . 59.4 t-80 -105.44 133.56 49.99 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 121.096 0.474 . . . . 0.57 110.585 -173.21 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 524' ' ' ILE . . . . . 0.447 HG12 HG12 ' A' ' 590' ' ' ILE . 23.0 mt -110.9 137.33 43.81 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.907 0 N-CA-C 108.445 -0.946 . . . . 1.06 108.445 177.092 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 525' ' ' CYS . . . . . 0.45 ' O ' ' HB2' ' A' ' 526' ' ' ASN . 0.0 OUTLIER -132.47 158.39 42.17 Favored 'General case' 0 C--N 1.316 -0.881 0 C-N-CA 120.665 -0.414 . . . . 1.75 110.97 -172.761 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 526' ' ' ASN . . . . . 0.45 ' HB2' ' O ' ' A' ' 525' ' ' CYS . 84.8 m-20 84.94 29.29 0.06 Allowed 'General case' 0 N--CA 1.469 0.476 0 O-C-N 124.748 1.28 . . . . 0.28 110.913 172.555 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 527' ' ' LEU . . . . . 0.442 ' HB3' ' SG ' ' A' ' 532' ' ' CYS . 80.2 mt -85.03 123.3 73.75 Favored Pre-proline 0 C--N 1.323 -0.546 0 N-CA-C 109.111 -0.7 . . . . 1.04 109.111 177.643 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 528' ' ' PRO . . . . . 0.403 ' C ' ' HG ' ' A' ' 532' ' ' CYS . 3.1 Cg_exo -75.04 134.68 18.03 Favored 'Trans proline' 0 N--CA 1.459 -0.519 0 C-N-CA 121.841 1.694 . . . . 0.5 111.824 179.05 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 529' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -65.3 139.59 58.61 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 109.499 -0.556 . . . . 1.6 109.499 175.455 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 530' ' ' GLY . . . . . . . . . . . . . . . 90.54 4.71 70.11 Favored Glycine 0 N--CA 1.444 -0.785 0 N-CA-C 110.592 -1.003 . . . . 0.52 110.592 -171.25 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 531' ' ' SER . . . . . . . . . . . . . 66.7 m -156.14 2.4 0.16 Allowed 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.142 0.496 . . . . 1.49 110.212 -174.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 532' ' ' CYS . . . . . 0.443 ' HB2' ' HD2' ' A' ' 554' ' ' LYS . 69.9 m -85.84 79.08 9.38 Favored 'General case' 0 CA--C 1.51 -0.559 0 N-CA-C 108.495 -0.928 . . . . 0.25 108.495 176.335 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 533' ' ' THR . . . . . 0.55 ' O ' HG23 ' A' ' 537' ' ' VAL . 33.6 p -96.4 151.15 19.82 Favored 'General case' 0 C--N 1.315 -0.897 0 C-N-CA 119.761 -0.776 . . . . 1.1 108.957 -178.819 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 534' ' ' GLU . . . . . 0.497 ' N ' HD13 ' A' ' 552' ' ' LEU . 42.7 mt-10 -65.8 -34.48 78.27 Favored 'General case' 0 C--N 1.316 -0.849 0 N-CA-C 108.831 -0.803 . . . . 1.64 108.831 176.226 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 535' ' ' ASN . . . . . . . . . . . . . 5.9 t-20 -64.84 -47.0 79.53 Favored 'General case' 0 C--O 1.216 -0.685 0 CA-C-N 114.626 -1.17 . . . . 1.86 111.159 -177.04 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 536' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -69.69 -44.21 70.91 Favored 'General case' 0 N--CA 1.477 0.921 0 CA-C-O 121.401 0.62 . . . . 0.61 111.408 -175.425 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 537' ' ' VAL . . . . . 0.55 HG23 ' O ' ' A' ' 533' ' ' THR . 46.5 t -59.74 -45.77 94.21 Favored 'Isoleucine or valine' 0 C--O 1.241 0.615 0 CA-C-N 115.037 -0.983 . . . . 1.03 109.779 179.777 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 538' ' ' ILE . . . . . 0.563 HD12 ' CG ' ' A' ' 550' ' ' TYR . 38.3 mt -68.05 -32.61 56.88 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.815 0 CA-C-N 115.124 -0.944 . . . . 1.06 111.385 174.609 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 539' ' ' ASN . . . . . . . . . . . . . 10.5 m120 -57.92 -27.45 63.36 Favored 'General case' 0 CA--C 1.514 -0.43 0 N-CA-C 110.231 -0.285 . . . . 0.25 110.231 176.291 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 540' ' ' LEU . . . . . 0.419 HD21 ' OH ' ' A' ' 576' ' ' TYR . 88.2 mt -75.58 -41.46 54.55 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 109.518 -0.549 . . . . 1.11 109.518 174.098 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 541' ' ' GLY . . . . . 0.47 ' CA ' HD22 ' A' ' 561' ' ' LEU . . . -66.52 -52.63 33.53 Favored Glycine 0 CA--C 1.525 0.718 0 N-CA-C 116.021 1.168 . . . . 0.19 116.021 -178.936 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 542' ' ' LEU . . . . . 0.528 ' HB2' ' CD1' ' A' ' 615' ' ' ILE . 51.3 mt -58.02 -45.42 99.77 Favored Pre-proline 0 C--N 1.321 -0.633 0 N-CA-C 114.981 1.474 . . . . 1.06 114.981 -168.131 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 543' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_exo -59.7 -25.61 79.6 Favored 'Trans proline' 0 C--N 1.349 0.577 0 C-N-CA 122.053 1.835 . . . . 0.25 113.654 -177.221 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 544' ' ' PHE . . . . . 0.484 ' HB2' ' HE2' ' A' ' 572' ' ' MET . 92.8 m-85 -99.92 -15.65 18.27 Favored 'General case' 0 C--O 1.233 0.19 0 O-C-N 121.985 -0.447 . . . . 0.38 111.203 178.183 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 545' ' ' GLY . . . . . 0.462 ' O ' ' HA ' ' A' ' 542' ' ' LEU . . . 177.57 157.19 17.93 Favored Glycine 0 C--O 1.226 -0.395 0 C-N-CA 120.789 -0.72 . . . . 0.44 112.258 179.512 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 546' ' ' LYS . . . . . . . . . . . . . 66.5 tttm -66.11 126.84 29.91 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.926 0.393 . . . . 2.62 110.944 -179.299 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 547' ' ' VAL . . . . . 0.522 HG23 HG21 ' A' ' 538' ' ' ILE . 72.2 t -83.14 115.43 25.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-N 115.808 -0.633 . . . . 1.05 110.616 178.087 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 548' ' ' THR . . . . . . . . . . . . . 22.6 p -93.21 -35.51 13.09 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 116.095 -0.502 . . . . 1.11 111.606 178.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 549' ' ' ASN . . . . . 0.44 ' HB2' ' HB2' ' A' ' 562' ' ' GLU . 15.9 m120 -145.49 158.39 43.85 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.946 0.403 . . . . 1.49 110.782 -179.769 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 550' ' ' TYR . . . . . 0.563 ' CG ' HD12 ' A' ' 538' ' ' ILE . 5.3 p90 -161.59 150.3 15.74 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.803 -0.635 . . . . 0.96 109.8 -179.901 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 551' ' ' ILE . . . . . 0.615 HG22 ' N3 ' ' B' ' 5' ' ' ' U' . 66.9 mt -144.69 124.53 7.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 N-CA-C 108.551 -0.907 . . . . 1.1 108.551 -176.116 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 552' ' ' LEU . . . . . 0.497 HD13 ' N ' ' A' ' 534' ' ' GLU . 29.6 mt -106.97 121.16 43.9 Favored 'General case' 0 C--N 1.316 -0.872 0 C-N-CA 120.322 -0.551 . . . . 1.17 111.137 -177.862 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 553' ' ' MET . . . . . 0.481 ' HA ' " H4'" ' B' ' 5' ' ' ' U' . 67.2 mtm -109.11 82.32 1.58 Allowed 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 109.211 -0.663 . . . . 1.55 109.211 177.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 554' ' ' LYS . . . . . 0.443 ' HD2' ' HB2' ' A' ' 532' ' ' CYS . 23.9 mmtp -53.15 -29.4 31.08 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 114.677 -1.147 . . . . 1.63 112.873 175.726 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 555' ' ' SER . . . . . . . . . . . . . 65.1 p -67.72 -41.42 83.54 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.893 0.378 . . . . 0.7 111.274 -173.871 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 556' ' ' THR . . . . . . . . . . . . . 44.0 p -99.3 1.44 44.55 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.325 -0.398 . . . . 1.14 111.821 -177.201 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 557' ' ' ASN . . . . . . . . . . . . . 13.1 m120 59.54 40.43 20.43 Favored 'General case' 0 N--CA 1.467 0.385 0 CA-C-O 121.694 0.759 . . . . 2.03 110.081 -175.462 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 558' ' ' GLN . . . . . 0.404 ' HB2' ' HE2' ' A' ' 553' ' ' MET . 72.3 mt-30 -139.69 166.0 25.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.067 -0.969 . . . . 1.24 109.575 -176.069 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 559' ' ' ALA . . . . . . . . . . . . . . . -157.91 166.71 31.94 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.109 0.48 . . . . 1.04 112.173 -178.293 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 560' ' ' PHE . . . . . 0.431 ' HB2' ' HB ' ' A' ' 551' ' ' ILE . 97.7 m-85 -118.82 145.31 45.75 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.5 -0.773 . . . . 0.46 110.569 176.809 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 561' ' ' LEU . . . . . 0.541 ' O ' ' HB ' ' A' ' 522' ' ' VAL . 62.1 tp -136.62 119.45 16.25 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.065 -0.516 . . . . 1.06 110.348 179.758 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 562' ' ' GLU . . . . . 0.44 ' HB2' ' HB2' ' A' ' 549' ' ' ASN . 0.1 OUTLIER -101.17 135.82 42.03 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.844 -0.616 . . . . 2.09 110.307 178.72 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 563' ' ' MET . . . . . 0.616 ' SD ' ' HA ' ' A' ' 569' ' ' ALA . 35.1 mtt -124.45 149.02 47.26 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.541 -0.754 . . . . 1.06 109.101 -171.672 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 564' ' ' ALA . . . . . . . . . . . . . . . -71.32 -16.28 62.44 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.874 0.368 . . . . 1.25 111.722 -171.659 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 565' ' ' TYR . . . . . 0.446 ' CB ' ' HG2' ' A' ' 567' ' ' GLU . 98.7 m-85 -141.23 144.06 34.5 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 116.138 -0.483 . . . . 1.39 110.12 -178.094 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 566' ' ' THR . . . . . . . . . . . . . 6.8 t -67.62 -26.74 66.4 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.862 -0.608 . . . . 1.24 109.821 177.664 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 567' ' ' GLU . . . . . 0.446 ' HG2' ' CB ' ' A' ' 565' ' ' TYR . 12.0 pt-20 -58.25 -32.53 68.44 Favored 'General case' 0 C--N 1.334 -0.075 0 CA-C-N 115.596 -0.729 . . . . 0.89 110.449 176.02 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 568' ' ' ALA . . . . . 0.65 ' O ' ' HG3' ' A' ' 572' ' ' MET . . . -73.33 -42.96 61.67 Favored 'General case' 0 N--CA 1.449 -0.485 0 CA-C-N 115.846 -0.616 . . . . 1.08 109.876 -178.38 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 569' ' ' ALA . . . . . 0.616 ' HA ' ' SD ' ' A' ' 563' ' ' MET . . . -63.47 -46.1 87.75 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.841 -0.618 . . . . 1.0 111.045 -176.648 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 570' ' ' GLN . . . . . . . . . . . . . 13.5 pt20 -69.07 -35.97 77.12 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.124 -0.489 . . . . 1.72 110.59 -179.09 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 571' ' ' ALA . . . . . . . . . . . . . . . -63.58 -44.8 93.02 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-N 116.397 -0.365 . . . . 1.08 110.914 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 572' ' ' MET . . . . . 0.65 ' HG3' ' O ' ' A' ' 568' ' ' ALA . 34.7 mtt -64.5 -46.78 81.49 Favored 'General case' 0 CA--C 1.517 -0.296 0 CA-C-N 116.207 -0.451 . . . . 1.05 110.314 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 573' ' ' VAL . . . . . 0.645 ' O ' ' HG2' ' A' ' 577' ' ' GLN . 69.0 t -58.84 -48.17 87.07 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.285 0 C-N-CA 120.982 -0.287 . . . . 1.08 110.345 -179.44 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 574' ' ' GLN . . . . . . . . . . . . . 49.9 mt-30 -60.9 -38.73 86.71 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.797 0.332 . . . . 2.79 110.78 -179.874 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 575' ' ' TYR . . . . . . . . . . . . . 66.6 t80 -68.57 -52.45 31.6 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.934 -0.576 . . . . 1.09 110.749 -179.154 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 576' ' ' TYR . . . . . 0.565 ' CE2' HD12 ' A' ' 590' ' ' ILE . 61.3 m-85 -73.8 -13.58 60.96 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 112.652 0.612 . . . . 1.03 112.652 -176.918 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 577' ' ' GLN . . . . . 0.645 ' HG2' ' O ' ' A' ' 573' ' ' VAL . 15.9 mm-40 -64.56 -42.6 95.58 Favored 'General case' 0 C--N 1.331 -0.23 0 N-CA-C 109.166 -0.679 . . . . 2.14 109.166 171.219 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 578' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -91.92 -39.61 11.61 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.609 -0.723 . . . . 2.14 111.863 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 579' ' ' LYS . . . . . . . . . . . . . 94.6 mttt -129.51 85.67 58.13 Favored Pre-proline 0 C--N 1.328 -0.366 0 N-CA-C 110.142 -0.318 . . . . 2.95 110.142 178.39 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 580' ' ' PRO . . . . . . . . . . . . . 36.2 Cg_endo -65.71 160.67 42.43 Favored 'Trans proline' 0 CA--C 1.527 0.157 0 C-N-CA 122.604 2.202 . . . . 0.51 112.047 -179.623 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 581' ' ' ALA . . . . . 0.467 ' O ' ' HG ' ' A' ' 588' ' ' LEU . . . -90.82 130.33 36.8 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 109.465 -0.568 . . . . 1.09 109.465 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 582' ' ' ILE . . . . . . . . . . . . . 59.2 mt -105.46 121.3 57.45 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 CA-C-O 120.814 0.34 . . . . 1.19 111.711 -172.71 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 583' ' ' ILE . . . . . . . . . . . . . 33.2 mm -125.01 114.09 38.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 115.755 -0.657 . . . . 1.21 109.508 175.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 584' ' ' ASN . . . . . . . . . . . . . 67.7 m-20 58.63 32.7 22.44 Favored 'General case' 0 N--CA 1.469 0.485 0 CA-C-O 121.251 0.548 . . . . 1.34 110.225 -177.131 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 585' ' ' GLY . . . . . . . . . . . . . . . 83.76 3.17 89.61 Favored Glycine 0 N--CA 1.443 -0.842 0 CA-C-N 115.708 -0.678 . . . . 0.51 113.391 179.223 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 586' ' ' GLU . . . . . . . . . . . . . 8.6 mm-40 -101.13 125.46 47.75 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 117.262 0.531 . . . . 1.79 110.407 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 587' ' ' LYS . . . . . . . . . . . . . 95.7 mttt -76.47 116.35 17.07 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.72 -0.673 . . . . 2.25 111.413 177.854 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 588' ' ' LEU . . . . . 0.467 ' HG ' ' O ' ' A' ' 581' ' ' ALA . 43.8 mt -79.56 136.52 36.89 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.03 -0.532 . . . . 1.03 110.193 179.679 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 589' ' ' LEU . . . . . . . . . . . . . 41.4 tp -112.67 111.74 22.76 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 116.048 -0.523 . . . . 1.13 110.612 -179.233 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 590' ' ' ILE . . . . . 0.565 HD12 ' CE2' ' A' ' 576' ' ' TYR . 20.5 mt -102.0 118.93 49.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 N-CA-C 109.902 -0.407 . . . . 1.08 109.902 176.598 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 591' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -147.29 166.0 28.39 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.924 0.392 . . . . 3.18 110.688 -178.316 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 592' ' ' MET . . . . . 0.675 ' SD ' ' HE2' ' A' ' 516' ' ' LYS . 61.8 mtt -81.9 144.22 31.12 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.012 -0.54 . . . . 1.13 110.118 -177.002 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 593' ' ' SER . . . . . 0.606 ' HB3' ' O2 ' ' B' ' 3' ' ' ' C' . 20.0 m -94.14 137.82 32.89 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.666 0.746 . . . . 1.65 112.843 -172.334 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 594' ' ' THR . . . . . . . . . . . . . 18.1 p -91.78 -17.49 25.28 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 114.453 -1.249 . . . . 1.14 112.631 -177.166 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 595' ' ' ARG . . . . . 0.493 ' HD2' " O2'" ' B' ' 3' ' ' ' C' . 94.4 mtt180 -100.08 -28.99 12.77 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 112.395 0.517 . . . . 3.37 112.395 -167.633 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 596' ' ' TYR . . . . . . . . . . . . . 42.0 m-85 -124.46 149.3 46.96 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.989 0.423 . . . . 1.15 111.807 -178.37 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 597' ' ' LYS . . . . . . . . . . . . . 71.8 mmtt -109.55 -12.67 14.66 Favored 'General case' 0 C--O 1.222 -0.352 0 CA-C-N 115.564 -0.744 . . . . 2.63 111.839 179.89 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 598' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -142.84 151.9 41.6 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.079 0.466 . . . . 0.95 111.143 -177.3 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 599' ' ' LEU . . . . . 0.53 HD21 HG12 ' A' ' 521' ' ' VAL . 62.9 mt -116.24 122.8 46.04 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.428 -0.805 . . . . 1.18 110.675 176.31 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 600' ' ' GLN . . . . . . . . . . . . . 30.0 tt0 -112.6 132.77 54.98 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.737 -0.665 . . . . 1.65 110.0 178.059 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 601' ' ' LEU . . . . . . . . . . . . . 60.6 mt -82.17 92.95 6.97 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.913 0.387 . . . . 1.23 111.061 -179.415 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 602' ' ' LYS . . . . . 0.473 ' HZ3' ' HB3' ' A' ' 602' ' ' LYS . 9.1 mtpm? -77.41 -17.74 57.88 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.096 0.474 . . . . 2.22 110.063 175.122 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 603' ' ' LYS . . . . . . . . . . . . . 34.7 mmtp -121.49 142.41 35.49 Favored Pre-proline 0 C--N 1.325 -0.466 0 CA-C-N 115.775 -0.648 . . . . 2.26 109.737 177.663 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 604' ' ' PRO . . . . . . . . . . . . . 58.6 Cg_endo -72.56 160.05 47.5 Favored 'Trans proline' 0 C--O 1.236 0.413 0 C-N-CA 122.332 2.021 . . . . 1.26 112.576 -178.554 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 605' ' ' GLY . . . . . . . . . . . . . . . -138.64 173.0 22.79 Favored Glycine 0 N--CA 1.436 -1.3 0 N-CA-C 110.292 -1.123 . . . . 1.23 110.292 179.561 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 606' ' ' LYS . . . . . . . . . . . . . 51.1 mtmt -97.85 176.75 5.68 Favored 'General case' 0 C--N 1.31 -1.12 0 N-CA-C 110.07 -0.344 . . . . 3.96 110.07 179.49 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 607' ' ' ASN . . . . . . . . . . . . . 31.5 t30 -57.65 121.7 11.0 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.221 0.534 . . . . 1.8 111.067 176.384 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 608' ' ' VAL . . . . . 0.502 HG11 ' HB ' ' A' ' 547' ' ' VAL . 57.9 t -79.74 -21.14 12.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 115.505 -0.771 . . . . 1.07 110.885 -177.095 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 609' ' ' ALA . . . . . . . . . . . . . . . -66.1 -36.17 82.45 Favored 'General case' 0 C--O 1.236 0.377 0 CA-C-O 121.499 0.666 . . . . 1.27 110.705 176.745 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 610' ' ' ALA . . . . . . . . . . . . . . . -63.75 -26.87 68.84 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.741 -0.663 . . . . 1.14 109.999 177.813 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 611' ' ' ILE . . . . . 0.446 ' CD1' HD11 ' A' ' 538' ' ' ILE . 70.0 mt -70.56 -30.85 44.25 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.406 0 CA-C-N 115.393 -0.821 . . . . 1.03 109.714 177.825 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 612' ' ' ILE . . . . . 0.448 ' CG1' HD11 ' A' ' 542' ' ' LEU . 66.9 mt -60.5 -40.49 84.48 Favored 'Isoleucine or valine' 0 C--O 1.233 0.234 0 N-CA-C 109.526 -0.546 . . . . 1.11 109.526 172.312 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 613' ' ' GLN . . . . . . . . . . . . . 32.6 mm-40 -62.67 -34.66 77.55 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.806 -0.633 . . . . 3.02 110.274 175.825 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 614' ' ' ASP . . . . . 0.431 ' O ' ' HG2' ' A' ' 618' ' ' GLN . 40.1 m-20 -66.26 -43.59 86.04 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.769 -0.651 . . . . 1.95 110.439 178.775 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 615' ' ' ILE . . . . . 0.528 ' CD1' ' HB2' ' A' ' 542' ' ' LEU . 88.3 mt -61.27 -44.74 98.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.364 -0.38 . . . . 1.08 110.668 177.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 616' ' ' HIS . . . . . . . . . . . . . 9.8 m-70 -63.03 -30.36 71.54 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.031 -0.531 . . . . 1.73 110.757 177.84 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 617' ' ' SER . . . . . . . . . . . . . 31.4 t -74.28 -24.92 59.32 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.939 -0.573 . . . . 1.77 110.775 178.199 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 618' ' ' GLN . . . . . 0.431 ' HG2' ' O ' ' A' ' 614' ' ' ASP . 13.9 mm100 -92.87 97.72 10.92 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.364 0.602 . . . . 5.45 111.559 -177.448 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 619' ' ' ARG . . . . . . . . . . . . . 18.2 mtp180 -121.37 99.11 6.29 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.347 -0.842 . . . . 8.54 109.504 178.252 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 620' ' ' GLU . . . . . . . . . . . . . 8.3 tp10 -81.05 48.62 1.13 Allowed 'General case' 0 CA--C 1.534 0.328 0 CA-C-O 121.189 0.519 . . . . 7.92 110.773 -176.067 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 621' ' ' ARG . . . . . . . . . . . . . 61.6 ttp180 . . . . . 0 C--O 1.248 0.982 0 CA-C-N 115.762 -0.654 . . . . 11.52 109.415 178.501 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 1' ' ' ADN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 2' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.824 0 C4'-C3'-O3' 113.856 1.252 OUTLIER-EPSILON 0.0 '__' . 2.99 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 3' ' ' ' C' . . . . . 0.488 " H4'" ' HE1' ' A' ' 553' ' ' MET . . . . . . . . 0 O5'--C5' 1.425 -0.926 0 P-O3'-C3' 123.093 2.827 . 0.0 OUTLIER epsilon-1 1.58 . . . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 4' ' ' ' U' . . . . . 0.478 " C5'" ' HE2' ' A' ' 553' ' ' MET . . . . . . . . 0 O5'--C5' 1.425 -0.921 0 C3'-C2'-C1' 100.222 -1.42 . 0.0 OUTLIER gamma 1.21 . . . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 5' ' ' ' U' . . . . . 0.632 ' C4 ' HG22 ' A' ' 551' ' ' ILE . . . . . . . . 0 O5'--C5' 1.425 -0.956 0 C3'-C2'-C1' 100.326 -1.304 . 0.624 4b . 1.33 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 6' ' ' ' A' . . . . . 0.456 " C5'" ' HB2' ' A' ' 554' ' ' LYS . . . . . . . . 0 O5'--C5' 1.427 -0.799 0 C4'-C3'-C2' 103.31 0.61 . 0.0 OUTLIER gamma 4.58 . . . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 510' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.665 0 N-CA-C 112.031 -0.428 . . . . 9.27 112.031 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 511' ' ' ALA . . . . . . . . . . . . . . . -157.23 153.54 27.72 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 109.817 -0.438 . . . . 6.96 109.817 178.877 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 512' ' ' MET . . . . . 0.449 ' C ' ' H ' ' A' ' 514' ' ' GLN . 27.3 ttt 73.14 -46.62 0.65 Allowed 'General case' 0 N--CA 1.47 0.533 0 C-N-CA 123.453 0.701 . . . . 6.68 111.871 179.471 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 513' ' ' ALA . . . . . . . . . . . . . . . -80.02 32.64 0.27 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.497 0.665 . . . . 4.66 110.952 -179.824 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 514' ' ' GLN . . . . . 0.449 ' H ' ' C ' ' A' ' 512' ' ' MET . 93.3 mt-30 -99.32 136.24 39.56 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.381 -0.827 . . . . 2.88 109.337 178.639 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 515' ' ' ARG . . . . . . . . . . . . . 22.1 mmt180 -77.41 121.13 23.37 Favored 'General case' 0 C--N 1.319 -0.737 0 N-CA-C 109.803 -0.443 . . . . 4.64 109.803 -179.874 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 516' ' ' LYS . . . . . . . . . . . . . 30.3 mmtp -138.04 22.74 2.82 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.87 -0.604 . . . . 2.38 109.904 -179.816 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 517' ' ' GLY . . . . . . . . . . . . . . . -78.27 -85.22 0.52 Allowed Glycine 0 N--CA 1.447 -0.622 0 CA-C-N 115.597 -0.729 . . . . 2.04 111.504 179.64 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 518' ' ' ALA . . . . . . . . . . . . . . . -104.51 -3.72 23.58 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.262 0.553 . . . . 1.94 110.424 177.844 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 519' ' ' GLY . . . . . . . . . . . . . . . -123.91 97.26 0.55 Allowed Glycine 0 N--CA 1.444 -0.828 0 CA-C-N 115.226 -0.897 . . . . 0.98 111.721 178.483 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 520' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -110.62 134.2 52.64 Favored 'General case' 0 C--N 1.325 -0.487 0 C-N-CA 120.235 -0.586 . . . . 2.86 109.591 174.119 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 521' ' ' VAL . . . . . 0.499 HG13 HD21 ' A' ' 599' ' ' LEU . 89.2 t -117.1 121.39 67.64 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.813 0 CA-C-N 115.784 -0.644 . . . . 1.14 110.733 172.04 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 522' ' ' VAL . . . . . 0.483 HG13 ' HE2' ' A' ' 563' ' ' MET . 22.8 t -121.64 121.35 64.21 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.823 0 N-CA-C 108.546 -0.909 . . . . 1.05 108.546 179.521 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 523' ' ' HIS . . . . . . . . . . . . . 33.4 t-80 -106.19 134.05 49.93 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.093 0.473 . . . . 0.57 109.992 -176.179 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 524' ' ' ILE . . . . . 0.422 HG12 HG12 ' A' ' 590' ' ' ILE . 28.5 mt -111.75 143.02 22.38 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.963 0 N-CA-C 108.684 -0.858 . . . . 1.06 108.684 178.559 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 525' ' ' CYS . . . . . 0.578 ' SG ' ' HB3' ' A' ' 589' ' ' LEU . 7.6 p -139.7 164.28 30.34 Favored 'General case' 0 C--N 1.314 -0.938 0 C-N-CA 120.68 -0.408 . . . . 1.75 111.299 -178.114 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 526' ' ' ASN . . . . . 0.447 ' HB2' ' O ' ' A' ' 525' ' ' CYS . 83.9 m-20 86.9 27.38 0.04 OUTLIER 'General case' 0 N--CA 1.47 0.536 0 O-C-N 124.863 1.352 . . . . 0.28 110.706 174.766 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 527' ' ' LEU . . . . . . . . . . . . . 80.1 mt -84.26 124.18 74.26 Favored Pre-proline 0 C--N 1.325 -0.469 0 N-CA-C 109.011 -0.737 . . . . 1.04 109.011 177.161 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 528' ' ' PRO . . . . . . . . . . . . . 7.6 Cg_exo -71.99 135.2 24.9 Favored 'Trans proline' 0 N--CA 1.459 -0.522 0 C-N-CA 121.56 1.507 . . . . 0.5 111.614 -179.666 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 529' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -65.19 138.85 58.52 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 116.003 -0.544 . . . . 1.6 110.089 177.638 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 530' ' ' GLY . . . . . . . . . . . . . . . 85.9 5.15 84.05 Favored Glycine 0 N--CA 1.444 -0.799 0 C-N-CA 120.053 -1.07 . . . . 0.52 110.559 -173.726 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 531' ' ' SER . . . . . . . . . . . . . 57.7 m -150.53 6.7 0.56 Allowed 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.192 0.52 . . . . 1.49 110.176 -174.626 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 532' ' ' CYS . . . . . . . . . . . . . 62.0 m -87.94 86.03 7.08 Favored 'General case' 0 CA--C 1.515 -0.397 0 N-CA-C 109.132 -0.692 . . . . 0.25 109.132 177.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 533' ' ' THR . . . . . 0.577 ' O ' HG21 ' A' ' 537' ' ' VAL . 29.1 p -99.76 151.85 20.78 Favored 'General case' 0 N--CA 1.443 -0.803 0 C-N-CA 119.837 -0.745 . . . . 1.1 109.04 -178.661 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 534' ' ' GLU . . . . . 0.573 ' N ' HD13 ' A' ' 552' ' ' LEU . 48.0 mt-10 -66.13 -34.05 77.17 Favored 'General case' 0 C--N 1.317 -0.81 0 N-CA-C 108.539 -0.912 . . . . 1.64 108.539 175.029 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 535' ' ' ASN . . . . . . . . . . . . . 14.4 t-20 -61.14 -49.84 75.62 Favored 'General case' 0 C--O 1.219 -0.526 0 CA-C-N 114.272 -1.331 . . . . 1.86 112.12 -176.88 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 536' ' ' ASP . . . . . . . . . . . . . 12.5 m-20 -69.63 -44.2 71.15 Favored 'General case' 0 N--CA 1.472 0.658 0 CA-C-O 121.629 0.728 . . . . 0.61 111.058 -174.396 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 537' ' ' VAL . . . . . 0.577 HG21 ' O ' ' A' ' 533' ' ' THR . 33.2 t -60.08 -47.66 91.02 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.776 0 CA-C-N 114.528 -1.214 . . . . 1.03 109.75 -178.615 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 538' ' ' ILE . . . . . 0.609 HD12 ' CG ' ' A' ' 550' ' ' TYR . 66.6 mt -68.39 -34.06 63.77 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.664 0 CA-C-N 115.347 -0.842 . . . . 1.06 111.575 176.029 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 539' ' ' ASN . . . . . 0.46 ' HA ' HD13 ' A' ' 615' ' ' ILE . 11.2 m120 -58.31 -27.02 63.71 Favored 'General case' 0 CA--C 1.512 -0.513 0 C-N-CA 120.966 -0.294 . . . . 0.25 110.521 177.558 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 540' ' ' LEU . . . . . 0.457 HD22 ' OH ' ' A' ' 576' ' ' TYR . 83.0 mt -76.05 -42.01 48.92 Favored 'General case' 0 C--N 1.324 -0.533 0 C-N-CA 120.724 -0.39 . . . . 1.11 110.271 173.736 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 541' ' ' GLY . . . . . 0.551 ' CA ' HD21 ' A' ' 561' ' ' LEU . . . -61.13 -49.92 72.92 Favored Glycine 0 CA--C 1.523 0.593 0 N-CA-C 115.772 1.069 . . . . 0.19 115.772 179.87 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 542' ' ' LEU . . . . . 0.463 ' HB2' ' CD1' ' A' ' 615' ' ' ILE . 74.8 mt -63.62 -41.3 64.89 Favored Pre-proline 0 C--N 1.319 -0.744 0 N-CA-C 115.219 1.563 . . . . 1.06 115.219 -168.541 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 543' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_exo -61.0 -26.82 83.84 Favored 'Trans proline' 0 CA--C 1.531 0.348 0 C-N-CA 121.565 1.51 . . . . 0.25 113.851 -179.026 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 544' ' ' PHE . . . . . 0.447 ' HB2' ' CE ' ' A' ' 572' ' ' MET . 86.1 m-85 -99.66 -15.16 18.65 Favored 'General case' 0 C--O 1.234 0.237 0 O-C-N 122.073 -0.392 . . . . 0.38 111.652 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 545' ' ' GLY . . . . . 0.455 ' O ' ' HA ' ' A' ' 542' ' ' LEU . . . -175.51 -174.42 42.08 Favored Glycine 0 C--O 1.223 -0.533 0 C-N-CA 120.704 -0.76 . . . . 0.44 112.454 -177.522 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 546' ' ' LYS . . . . . . . . . . . . . 39.9 ttpt -95.61 123.52 39.2 Favored 'General case' 0 C--N 1.32 -0.712 0 O-C-N 122.072 -0.664 . . . . 2.62 109.708 -178.569 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 547' ' ' VAL . . . . . 0.552 ' HB ' HG11 ' A' ' 608' ' ' VAL . 76.8 t -84.5 113.5 23.32 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-O 121.144 0.497 . . . . 1.05 110.323 177.063 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 548' ' ' THR . . . . . . . . . . . . . 21.9 p -95.06 -35.48 11.91 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 115.699 -0.682 . . . . 1.11 111.202 177.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 549' ' ' ASN . . . . . 0.489 ' OD1' HD13 ' A' ' 601' ' ' LEU . 94.7 m-20 -142.41 158.01 44.16 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.841 -0.618 . . . . 1.49 110.638 -178.136 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 550' ' ' TYR . . . . . 0.609 ' CG ' HD12 ' A' ' 538' ' ' ILE . 2.7 p90 -159.48 151.59 20.85 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.562 -0.744 . . . . 0.96 109.385 -179.078 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 551' ' ' ILE . . . . . 0.632 HG22 ' C4 ' ' B' ' 5' ' ' ' U' . 66.9 mt -144.27 123.88 7.66 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 N-CA-C 108.456 -0.942 . . . . 1.1 108.456 -175.924 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 552' ' ' LEU . . . . . 0.573 HD13 ' N ' ' A' ' 534' ' ' GLU . 22.2 mt -106.58 113.45 26.97 Favored 'General case' 0 C--N 1.316 -0.86 0 C-N-CA 119.954 -0.698 . . . . 1.17 110.404 -179.167 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 553' ' ' MET . . . . . 0.488 ' HE1' " H4'" ' B' ' 3' ' ' ' C' . 28.0 mtp -97.62 79.8 2.75 Favored 'General case' 0 C--N 1.319 -0.752 0 N-CA-C 108.113 -1.069 . . . . 1.55 108.113 -176.739 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 554' ' ' LYS . . . . . 0.456 ' HB2' " C5'" ' B' ' 6' ' ' ' A' . 28.9 mmtp -54.45 -29.22 48.85 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 114.794 -1.094 . . . . 1.63 113.104 177.859 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 555' ' ' SER . . . . . . . . . . . . . 67.4 p -69.17 -40.6 78.05 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 120.77 0.319 . . . . 0.7 111.313 -175.167 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 556' ' ' THR . . . . . . . . . . . . . 52.0 p -101.15 4.38 41.99 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 112.789 0.663 . . . . 1.14 112.789 -177.231 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 557' ' ' ASN . . . . . . . . . . . . . 2.6 m-20 58.78 39.93 23.59 Favored 'General case' 0 N--CA 1.469 0.523 0 CA-C-O 121.967 0.889 . . . . 2.03 109.907 -176.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 558' ' ' GLN . . . . . . . . . . . . . 26.7 mt-30 -137.89 169.29 18.04 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 114.763 -1.108 . . . . 1.24 109.367 -175.384 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 559' ' ' ALA . . . . . . . . . . . . . . . -157.95 165.27 35.59 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 118.036 0.38 . . . . 1.04 111.887 -178.828 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 560' ' ' PHE . . . . . 0.505 ' HB2' ' HB ' ' A' ' 551' ' ' ILE . 84.9 m-85 -119.06 149.48 41.59 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.235 -0.439 . . . . 0.46 110.475 173.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 561' ' ' LEU . . . . . 0.551 HD21 ' CA ' ' A' ' 541' ' ' GLY . 51.1 tp -138.42 119.65 14.66 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.542 -0.754 . . . . 1.06 110.052 -178.94 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 562' ' ' GLU . . . . . 0.45 ' HB2' HD11 ' A' ' 599' ' ' LEU . 29.3 tt0 -99.24 133.34 43.68 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.432 0.634 . . . . 2.09 110.846 -178.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 563' ' ' MET . . . . . 0.544 ' SD ' ' HA ' ' A' ' 569' ' ' ALA . 10.0 mtt -120.57 144.13 48.25 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 114.91 -1.041 . . . . 1.06 109.423 -175.007 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 564' ' ' ALA . . . . . . . . . . . . . . . -67.44 -21.99 65.52 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 112.828 0.677 . . . . 1.25 112.828 -169.347 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 565' ' ' TYR . . . . . . . . . . . . . 77.9 m-85 -140.49 151.88 45.16 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 120.885 0.374 . . . . 1.39 110.271 178.369 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 566' ' ' THR . . . . . . . . . . . . . 14.0 t -65.84 -26.75 67.8 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.588 -0.733 . . . . 1.24 110.646 -177.637 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 567' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -56.21 -33.1 65.03 Favored 'General case' 0 C--O 1.233 0.194 0 CA-C-N 115.962 -0.563 . . . . 0.89 111.186 175.084 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 568' ' ' ALA . . . . . 0.747 ' O ' ' HG2' ' A' ' 572' ' ' MET . . . -73.6 -43.11 60.5 Favored 'General case' 0 N--CA 1.449 -0.519 0 CA-C-N 116.114 -0.494 . . . . 1.08 109.938 -175.831 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 569' ' ' ALA . . . . . 0.544 ' HA ' ' SD ' ' A' ' 563' ' ' MET . . . -62.03 -44.31 96.98 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.726 -0.67 . . . . 1.0 111.683 -175.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 570' ' ' GLN . . . . . 0.48 ' O ' ' HG2' ' A' ' 574' ' ' GLN . 9.3 pt20 -67.93 -36.01 79.41 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.386 -0.37 . . . . 1.72 110.443 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 571' ' ' ALA . . . . . . . . . . . . . . . -62.38 -39.65 93.89 Favored 'General case' 0 N--CA 1.454 -0.242 0 CA-C-N 116.315 -0.402 . . . . 1.08 110.693 177.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 572' ' ' MET . . . . . 0.747 ' HG2' ' O ' ' A' ' 568' ' ' ALA . 13.2 mmt -60.77 -49.57 76.97 Favored 'General case' 0 CA--C 1.519 -0.246 0 CA-C-N 116.048 -0.524 . . . . 1.05 109.739 177.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 573' ' ' VAL . . . . . . . . . . . . . 59.5 t -63.47 -47.63 90.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 115.57 -0.741 . . . . 1.08 110.626 -176.879 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 574' ' ' GLN . . . . . 0.48 ' HG2' ' O ' ' A' ' 570' ' ' GLN . 79.6 mm-40 -61.89 -39.45 92.0 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.759 0.314 . . . . 2.79 111.065 -178.497 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 575' ' ' TYR . . . . . . . . . . . . . 56.0 t80 -69.6 -53.42 18.91 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.273 -0.421 . . . . 1.09 110.908 -177.734 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 576' ' ' TYR . . . . . 0.537 ' CE1' ' HB3' ' A' ' 581' ' ' ALA . 63.1 m-85 -76.47 -13.19 60.12 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 113.146 0.795 . . . . 1.03 113.146 -173.872 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 577' ' ' GLN . . . . . . . . . . . . . 18.2 mm-40 -71.18 -40.73 71.05 Favored 'General case' 0 C--N 1.323 -0.55 0 C-N-CA 120.449 -0.5 . . . . 2.14 110.029 170.287 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 578' ' ' GLU . . . . . . . . . . . . . 18.8 mm-40 -87.11 -38.9 16.05 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.327 -0.397 . . . . 2.14 111.383 178.498 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 579' ' ' LYS . . . . . 0.45 ' O ' ' HA ' ' A' ' 576' ' ' TYR . 97.6 mttt -136.83 91.31 15.49 Favored Pre-proline 0 C--N 1.327 -0.407 0 N-CA-C 109.947 -0.39 . . . . 2.95 109.947 177.354 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 580' ' ' PRO . . . . . . . . . . . . . 36.6 Cg_endo -66.99 162.02 39.95 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.893 2.395 . . . . 0.51 112.542 -179.447 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 581' ' ' ALA . . . . . 0.537 ' HB3' ' CE1' ' A' ' 576' ' ' TYR . . . -90.25 129.06 36.54 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 109.691 -0.485 . . . . 1.09 109.691 179.717 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 582' ' ' ILE . . . . . . . . . . . . . 52.7 mt -98.71 119.9 47.33 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.703 0 CA-C-N 116.241 -0.436 . . . . 1.19 111.246 -172.515 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 583' ' ' ILE . . . . . . . . . . . . . 37.9 mm -123.45 112.17 32.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 N-CA-C 109.463 -0.569 . . . . 1.21 109.463 173.865 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 584' ' ' ASN . . . . . . . . . . . . . 80.3 m-20 57.58 33.68 23.57 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-O 121.342 0.591 . . . . 1.34 110.38 -178.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 585' ' ' GLY . . . . . . . . . . . . . . . 84.91 1.89 88.69 Favored Glycine 0 N--CA 1.444 -0.781 0 CA-C-N 115.398 -0.819 . . . . 0.51 113.499 179.624 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 586' ' ' GLU . . . . . . . . . . . . . 27.0 mm-40 -101.76 125.81 48.5 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 117.144 0.472 . . . . 1.79 110.806 -179.459 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 587' ' ' LYS . . . . . . . . . . . . . 50.8 mttp -74.28 117.57 16.24 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.494 -0.775 . . . . 2.25 110.989 176.757 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 588' ' ' LEU . . . . . 0.443 HD13 HD13 ' A' ' 540' ' ' LEU . 47.2 mt -79.57 134.17 36.47 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 109.991 -0.374 . . . . 1.03 109.991 176.817 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 589' ' ' LEU . . . . . 0.578 ' HB3' ' SG ' ' A' ' 525' ' ' CYS . 59.2 tp -111.59 111.36 22.31 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 115.991 -0.55 . . . . 1.13 110.088 -178.32 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 590' ' ' ILE . . . . . 0.526 HD13 ' CE2' ' A' ' 576' ' ' TYR . 17.4 mt -100.85 126.26 54.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 115.891 -0.595 . . . . 1.08 110.258 178.943 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 591' ' ' ARG . . . . . . . . . . . . . 71.3 mtp180 -145.82 159.7 42.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.25 -0.432 . . . . 3.18 109.89 -176.196 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 592' ' ' MET . . . . . . . . . . . . . 63.6 mtt -82.61 147.83 28.35 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 109.437 -0.579 . . . . 1.13 109.437 179.194 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 593' ' ' SER . . . . . . . . . . . . . 33.2 t -87.27 136.97 32.73 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.526 0.679 . . . . 1.65 111.57 -174.53 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 594' ' ' THR . . . . . . . . . . . . . 19.2 p -90.4 -14.19 33.46 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 114.861 -1.063 . . . . 1.14 110.943 177.619 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 595' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -102.99 -27.96 12.3 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 112.468 0.544 . . . . 3.37 112.468 -170.228 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 596' ' ' TYR . . . . . . . . . . . . . 53.4 m-85 -119.48 141.02 49.54 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.822 0.344 . . . . 1.15 111.785 -177.344 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 597' ' ' LYS . . . . . 0.481 ' N ' ' HD2' ' A' ' 597' ' ' LYS . 0.3 OUTLIER -108.76 -8.23 15.4 Favored 'General case' 0 CA--C 1.518 -0.287 0 CA-C-N 115.8 -0.637 . . . . 2.63 110.532 174.638 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 598' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 -146.43 148.92 32.79 Favored 'General case' 0 N--CA 1.449 -0.521 0 CA-C-O 121.11 0.481 . . . . 0.95 110.498 178.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 599' ' ' LEU . . . . . 0.499 HD21 HG13 ' A' ' 521' ' ' VAL . 37.8 mt -105.3 127.88 53.17 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.566 -0.743 . . . . 1.18 111.008 175.592 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 600' ' ' GLN . . . . . 0.404 HE21 ' HB3' ' A' ' 600' ' ' GLN . 0.8 OUTLIER -111.86 131.13 55.56 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.605 -0.725 . . . . 1.65 110.261 176.594 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 601' ' ' LEU . . . . . 0.581 ' HB3' ' O ' ' A' ' 603' ' ' LYS . 62.5 mt -83.33 101.51 11.36 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.131 -0.486 . . . . 1.23 111.266 -179.348 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 602' ' ' LYS . . . . . 0.512 ' HB2' ' C4 ' ' B' ' 5' ' ' ' U' . 28.3 mmtp -64.76 -26.81 68.51 Favored 'General case' 0 C--N 1.331 -0.223 0 N-CA-C 109.115 -0.698 . . . . 2.22 109.115 168.805 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 603' ' ' LYS . . . . . 0.581 ' O ' ' HB3' ' A' ' 601' ' ' LEU . 75.9 mmtt -113.38 135.06 21.83 Favored Pre-proline 0 C--N 1.325 -0.483 0 CA-C-N 114.859 -1.064 . . . . 2.26 108.7 178.501 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 604' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -58.05 -24.69 67.15 Favored 'Trans proline' 0 C--N 1.345 0.372 0 C-N-CA 123.346 2.697 . . . . 1.26 113.625 -173.754 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 605' ' ' GLY . . . . . . . . . . . . . . . 81.17 162.22 28.25 Favored Glycine 0 N--CA 1.442 -0.908 0 C-N-CA 120.907 -0.663 . . . . 1.23 112.35 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 606' ' ' LYS . . . . . . . . . . . . . 51.5 mttp -113.39 166.58 11.34 Favored 'General case' 0 C--N 1.314 -0.939 0 N-CA-C 108.791 -0.818 . . . . 3.96 108.791 176.412 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 607' ' ' ASN . . . . . . . . . . . . . 23.8 t-20 -57.97 121.96 11.83 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.161 0.505 . . . . 1.8 111.086 177.33 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 608' ' ' VAL . . . . . 0.552 HG11 ' HB ' ' A' ' 547' ' ' VAL . 72.1 t -91.57 -21.07 6.53 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 CA-C-N 115.578 -0.737 . . . . 1.07 110.933 -176.526 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 609' ' ' ALA . . . . . . . . . . . . . . . -60.46 -35.64 76.35 Favored 'General case' 0 C--O 1.237 0.407 0 CA-C-O 121.381 0.61 . . . . 1.27 110.801 176.042 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 610' ' ' ALA . . . . . . . . . . . . . . . -65.02 -27.29 68.71 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.906 -0.588 . . . . 1.14 110.263 176.879 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 611' ' ' ILE . . . . . . . . . . . . . 74.9 mt -71.26 -30.55 40.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 115.819 -0.628 . . . . 1.03 109.534 178.36 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 612' ' ' ILE . . . . . . . . . . . . . 68.2 mt -60.9 -44.34 97.66 Favored 'Isoleucine or valine' 0 C--O 1.231 0.099 0 N-CA-C 109.573 -0.529 . . . . 1.11 109.573 172.526 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 613' ' ' GLN . . . . . . . . . . . . . 22.9 mt-30 -62.84 -32.29 73.47 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.31 0.576 . . . . 3.02 110.128 177.544 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 614' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -65.99 -44.55 84.5 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.162 -0.927 . . . . 1.95 110.23 177.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 615' ' ' ILE . . . . . 0.463 ' CD1' ' HB2' ' A' ' 542' ' ' LEU . 93.6 mt -62.35 -36.15 73.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.087 -0.506 . . . . 1.08 110.738 177.314 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 616' ' ' HIS . . . . . . . . . . . . . 11.9 m-70 -64.3 -34.87 79.12 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.337 -0.392 . . . . 1.73 110.605 177.583 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 617' ' ' SER . . . . . . . . . . . . . 27.3 m -75.38 -38.0 60.23 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.917 0.389 . . . . 1.77 110.947 177.712 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 618' ' ' GLN . . . . . . . . . . . . . 45.6 mt-30 -139.58 106.06 5.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.12 -0.491 . . . . 5.45 110.505 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 619' ' ' ARG . . . . . . . . . . . . . 23.5 mtm180 -87.08 142.46 27.91 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 109.973 -0.38 . . . . 8.54 109.973 177.061 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 620' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -95.29 154.88 16.98 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.506 -0.315 . . . . 7.92 111.656 -175.931 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 621' ' ' ARG . . . . . 0.695 ' HA ' ' CZ ' ' A' ' 621' ' ' ARG . 0.1 OUTLIER . . . . . 0 C--O 1.248 0.991 0 CA-C-O 118.199 -0.905 . . . . 11.52 109.77 177.5 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 1' ' ' ADN . . . . . 0.573 " O2'" ' H6 ' ' B' ' 2' ' ' ' U' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 2' ' ' ' U' . . . . . 0.573 ' H6 ' " O2'" ' B' ' 1' ' ' ADN . . . . . . . . 0 O5'--C5' 1.426 -0.874 0 C3'-C2'-C1' 100.006 -1.66 . 0.0 '__' . 2.99 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 3' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.933 0 O4'-C1'-N19 109.128 0.928 . 0.0 OUTLIER . 1.58 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 4' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.909 0 C3'-C2'-C1' 99.464 -2.262 . 0.0 OUTLIER . 1.21 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 5' ' ' ' U' . . . . . 0.605 " H4'" ' HA ' ' A' ' 553' ' ' MET . . . . . . . . 0 O5'--C5' 1.425 -0.92 0 C3'-C2'-C1' 100.006 -1.66 . 0.305 4b . 1.33 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 6' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.837 0 C4'-C3'-C2' 103.431 0.731 . 0.0 OUTLIER gamma 4.58 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 510' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.597 0 N-CA-C 112.068 -0.413 . . . . 9.27 112.068 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 511' ' ' ALA . . . . . . . . . . . . . . . 58.85 40.6 22.6 Favored 'General case' 0 C--O 1.233 0.208 0 C-N-CA 122.884 0.474 . . . . 6.96 111.624 178.522 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 512' ' ' MET . . . . . . . . . . . . . 27.4 ttt -132.48 -62.05 0.84 Allowed 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.096 -0.502 . . . . 6.68 110.098 178.379 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 513' ' ' ALA . . . . . . . . . . . . . . . -157.71 147.28 20.05 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.248 -0.433 . . . . 4.66 110.974 -179.259 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 514' ' ' GLN . . . . . 0.436 ' HB2' ' HG2' ' A' ' 516' ' ' LYS . 93.4 mt-30 66.42 5.55 3.82 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-N 115.762 -0.654 . . . . 2.88 112.233 172.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 515' ' ' ARG . . . . . . . . . . . . . 97.5 mtt180 61.83 32.03 18.17 Favored 'General case' 0 N--CA 1.465 0.294 0 C-N-CA 122.988 0.515 . . . . 4.64 111.079 179.468 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 516' ' ' LYS . . . . . 0.436 ' HG2' ' HB2' ' A' ' 514' ' ' GLN . 32.5 mmtp -80.65 67.26 6.46 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.532 0.682 . . . . 2.38 111.196 -177.08 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 517' ' ' GLY . . . . . . . . . . . . . . . -133.55 -80.87 0.16 Allowed Glycine 0 N--CA 1.443 -0.852 0 N-CA-C 110.497 -1.041 . . . . 2.04 110.497 174.88 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 518' ' ' ALA . . . . . . . . . . . . . . . -87.47 65.07 8.47 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 109.152 -0.684 . . . . 1.94 109.152 172.134 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 519' ' ' GLY . . . . . . . . . . . . . . . 138.17 111.85 1.05 Allowed Glycine 0 N--CA 1.445 -0.706 0 CA-C-N 115.135 -0.938 . . . . 0.98 110.854 -174.627 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 520' ' ' ARG . . . . . . . . . . . . . 17.2 mtm-85 -133.29 135.07 44.64 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.326 0.584 . . . . 2.86 111.451 -179.725 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 521' ' ' VAL . . . . . 0.507 HG13 HD22 ' A' ' 599' ' ' LEU . 92.3 t -117.38 121.75 68.32 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.697 0 CA-C-N 115.253 -0.885 . . . . 1.14 109.947 165.646 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 522' ' ' VAL . . . . . 0.559 ' HB ' ' O ' ' A' ' 561' ' ' LEU . 25.7 t -120.13 121.15 65.08 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.91 0 N-CA-C 107.856 -1.164 . . . . 1.05 107.856 176.364 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 523' ' ' HIS . . . . . . . . . . . . . 43.0 t-80 -105.84 132.17 52.29 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 121.283 0.563 . . . . 0.57 110.896 -171.008 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 524' ' ' ILE . . . . . 0.425 HG12 HG12 ' A' ' 590' ' ' ILE . 32.6 mt -114.02 141.83 28.78 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.944 0 N-CA-C 108.317 -0.994 . . . . 1.06 108.317 177.731 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 525' ' ' CYS . . . . . 0.593 ' SG ' ' HB3' ' A' ' 589' ' ' LEU . 5.4 p -142.18 167.65 21.61 Favored 'General case' 0 C--N 1.314 -0.95 0 C-N-CA 120.416 -0.514 . . . . 1.75 111.583 -178.117 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 526' ' ' ASN . . . . . 0.472 ' HB2' ' O ' ' A' ' 525' ' ' CYS . 86.8 m-20 86.14 28.65 0.04 OUTLIER 'General case' 0 N--CA 1.468 0.427 0 O-C-N 124.917 1.386 . . . . 0.28 110.189 176.87 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 527' ' ' LEU . . . . . 0.412 ' HB3' ' SG ' ' A' ' 532' ' ' CYS . 81.1 mt -89.88 122.61 67.73 Favored Pre-proline 0 C--N 1.323 -0.557 0 N-CA-C 108.438 -0.949 . . . . 1.04 108.438 176.455 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 528' ' ' PRO . . . . . . . . . . . . . 11.9 Cg_exo -70.56 133.66 24.6 Favored 'Trans proline' 0 N--CA 1.456 -0.696 0 C-N-CA 121.238 1.292 . . . . 0.5 111.305 179.858 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 529' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -65.75 129.5 39.99 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 109.278 -0.638 . . . . 1.6 109.278 177.222 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 530' ' ' GLY . . . . . . . . . . . . . . . 97.17 3.03 59.01 Favored Glycine 0 N--CA 1.441 -0.973 0 C-N-CA 120.249 -0.976 . . . . 0.52 110.743 -172.46 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 531' ' ' SER . . . . . . . . . . . . . 22.7 t -146.31 7.84 1.03 Allowed 'General case' 0 N--CA 1.451 -0.409 0 CA-C-O 121.202 0.525 . . . . 1.49 109.767 -179.686 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 532' ' ' CYS . . . . . 0.442 ' HB2' ' HD2' ' A' ' 554' ' ' LYS . 59.7 m -89.0 84.2 6.6 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 108.773 -0.825 . . . . 0.25 108.773 -179.472 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 533' ' ' THR . . . . . 0.47 ' O ' HG21 ' A' ' 537' ' ' VAL . 40.8 p -95.69 151.61 19.2 Favored 'General case' 0 N--CA 1.445 -0.703 0 C-N-CA 119.888 -0.725 . . . . 1.1 109.177 -177.768 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 534' ' ' GLU . . . . . 0.504 ' HA ' HD12 ' A' ' 552' ' ' LEU . 51.8 mt-10 -66.01 -34.46 78.13 Favored 'General case' 0 C--N 1.319 -0.756 0 N-CA-C 109.019 -0.734 . . . . 1.64 109.019 176.487 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 535' ' ' ASN . . . . . . . . . . . . . 4.9 m-20 -64.82 -48.94 72.59 Favored 'General case' 0 C--O 1.212 -0.874 0 CA-C-N 114.738 -1.119 . . . . 1.86 111.735 -177.088 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 536' ' ' ASP . . . . . . . . . . . . . 25.7 m-20 -69.32 -44.66 71.28 Favored 'General case' 0 N--CA 1.475 0.808 0 CA-C-N 118.602 0.637 . . . . 0.61 111.452 -172.723 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 537' ' ' VAL . . . . . 0.47 HG21 ' O ' ' A' ' 533' ' ' THR . 38.7 t -60.49 -48.05 90.08 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-N 115.178 -0.919 . . . . 1.03 109.914 -178.731 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 538' ' ' ILE . . . . . 0.64 HD12 ' CG ' ' A' ' 550' ' ' TYR . 70.6 mt -68.99 -33.37 58.61 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.744 0 CA-C-N 115.35 -0.841 . . . . 1.06 111.659 176.371 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 539' ' ' ASN . . . . . . . . . . . . . 11.6 m120 -57.82 -27.74 63.43 Favored 'General case' 0 CA--C 1.511 -0.536 0 N-CA-C 109.932 -0.395 . . . . 0.25 109.932 176.264 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 540' ' ' LEU . . . . . 0.403 HD13 HD11 ' A' ' 588' ' ' LEU . 87.6 mt -75.37 -40.81 57.62 Favored 'General case' 0 N--CA 1.445 -0.722 0 N-CA-C 109.796 -0.446 . . . . 1.11 109.796 175.407 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 541' ' ' GLY . . . . . 0.506 ' HA2' ' SD ' ' A' ' 572' ' ' MET . . . -68.81 -53.51 19.3 Favored Glycine 0 CA--C 1.526 0.73 0 N-CA-C 115.688 1.035 . . . . 0.19 115.688 -179.713 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 542' ' ' LEU . . . . . 0.481 ' HA ' ' O ' ' A' ' 545' ' ' GLY . 40.4 mt -55.28 -45.94 99.77 Favored Pre-proline 0 N--CA 1.472 0.63 0 N-CA-C 114.97 1.47 . . . . 1.06 114.97 -168.039 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 543' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -60.7 -25.53 81.16 Favored 'Trans proline' 0 C--N 1.347 0.46 0 C-N-CA 122.207 1.938 . . . . 0.25 113.366 -178.751 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 544' ' ' PHE . . . . . 0.431 ' HB2' ' HE1' ' A' ' 572' ' ' MET . 99.2 m-85 -98.77 -15.82 19.16 Favored 'General case' 0 C--N 1.331 -0.233 0 O-C-N 122.078 -0.388 . . . . 0.38 111.378 177.54 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 545' ' ' GLY . . . . . 0.481 ' O ' ' HA ' ' A' ' 542' ' ' LEU . . . 177.34 151.67 9.34 Favored Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 120.894 -0.67 . . . . 0.44 112.028 -179.668 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 546' ' ' LYS . . . . . . . . . . . . . 39.7 ttmt -66.33 128.39 35.97 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 120.974 0.416 . . . . 2.62 110.893 -178.308 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 547' ' ' VAL . . . . . 0.559 ' HB ' HG11 ' A' ' 608' ' ' VAL . 69.6 t -86.8 115.37 27.56 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 CA-C-N 115.87 -0.604 . . . . 1.05 110.341 178.879 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 548' ' ' THR . . . . . . . . . . . . . 25.5 p -93.91 -35.05 12.86 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.948 -0.569 . . . . 1.11 111.492 -179.51 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 549' ' ' ASN . . . . . 0.438 HD21 ' HG ' ' A' ' 601' ' ' LEU . 17.6 m120 -143.83 153.36 42.28 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.843 -0.617 . . . . 1.49 110.109 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 550' ' ' TYR . . . . . 0.64 ' CG ' HD12 ' A' ' 538' ' ' ILE . 6.1 p90 -156.09 151.43 26.76 Favored 'General case' 0 C--N 1.317 -0.809 0 N-CA-C 109.544 -0.539 . . . . 0.96 109.544 178.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 551' ' ' ILE . . . . . 0.458 ' HB ' ' HB2' ' A' ' 560' ' ' PHE . 43.1 mt -142.64 124.32 12.38 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 N-CA-C 108.619 -0.882 . . . . 1.1 108.619 -178.382 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 552' ' ' LEU . . . . . 0.504 HD12 ' HA ' ' A' ' 534' ' ' GLU . 20.2 mt -107.58 120.76 43.11 Favored 'General case' 0 C--N 1.317 -0.841 0 C-N-CA 120.388 -0.525 . . . . 1.17 111.282 -177.055 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 553' ' ' MET . . . . . 0.605 ' HA ' " H4'" ' B' ' 5' ' ' ' U' . 72.1 mtm -111.68 81.65 1.49 Allowed 'General case' 0 C--N 1.324 -0.503 0 C-N-CA 119.831 -0.748 . . . . 1.55 109.224 176.496 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 554' ' ' LYS . . . . . 0.442 ' HD2' ' HB2' ' A' ' 532' ' ' CYS . 1.0 OUTLIER -54.07 -28.71 40.61 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.192 -0.913 . . . . 1.63 111.968 173.841 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 555' ' ' SER . . . . . . . . . . . . . 63.6 p -69.13 -42.97 75.3 Favored 'General case' 0 N--CA 1.451 -0.419 0 CA-C-O 120.842 0.353 . . . . 0.7 111.159 -173.053 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 556' ' ' THR . . . . . 0.446 ' O ' ' HG3' ' A' ' 558' ' ' GLN . 41.6 p -98.37 4.72 48.56 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.359 -0.382 . . . . 1.14 111.815 -177.352 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 557' ' ' ASN . . . . . 0.463 ' N ' HD21 ' A' ' 557' ' ' ASN . 0.9 OUTLIER 59.45 39.13 22.3 Favored 'General case' 0 N--CA 1.468 0.473 0 CA-C-O 121.534 0.683 . . . . 2.03 110.259 -177.177 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 558' ' ' GLN . . . . . 0.446 ' HG3' ' O ' ' A' ' 556' ' ' THR . 76.4 mt-30 -140.99 164.35 30.51 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.177 -0.92 . . . . 1.24 109.861 -176.063 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 559' ' ' ALA . . . . . . . . . . . . . . . -158.06 165.48 34.94 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 121.2 0.524 . . . . 1.04 111.37 -179.692 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 560' ' ' PHE . . . . . 0.458 ' HB2' ' HB ' ' A' ' 551' ' ' ILE . 90.9 m-85 -120.28 145.96 46.56 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.717 -0.674 . . . . 0.46 110.754 178.057 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 561' ' ' LEU . . . . . 0.559 ' O ' ' HB ' ' A' ' 522' ' ' VAL . 50.7 tp -137.45 118.76 14.63 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.876 -0.602 . . . . 1.06 110.314 -178.659 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 562' ' ' GLU . . . . . 0.407 ' CB ' ' HB2' ' A' ' 549' ' ' ASN . 0.1 OUTLIER -104.07 136.43 43.72 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.15 -0.477 . . . . 2.09 109.834 176.67 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 563' ' ' MET . . . . . 0.65 ' SD ' ' HA ' ' A' ' 569' ' ' ALA . 26.7 mtt -121.27 163.74 18.09 Favored 'General case' 0 C--N 1.316 -0.889 0 CA-C-N 115.61 -0.723 . . . . 1.06 109.644 -171.578 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 564' ' ' ALA . . . . . . . . . . . . . . . -63.05 -43.46 98.57 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 118.398 0.545 . . . . 1.25 111.633 -172.866 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 565' ' ' TYR . . . . . . . . . . . . . 99.7 m-85 -131.58 158.75 40.17 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.298 -0.41 . . . . 1.39 110.654 -178.059 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 566' ' ' THR . . . . . . . . . . . . . 8.1 t -66.71 -27.26 67.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.773 -0.648 . . . . 1.24 110.349 -178.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 567' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -57.13 -32.43 66.34 Favored 'General case' 0 C--O 1.232 0.135 0 CA-C-N 115.783 -0.644 . . . . 0.89 110.965 176.233 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 568' ' ' ALA . . . . . 0.668 ' O ' ' HG3' ' A' ' 572' ' ' MET . . . -72.92 -42.77 63.16 Favored 'General case' 0 N--CA 1.45 -0.447 0 CA-C-N 116.031 -0.531 . . . . 1.08 110.029 -177.438 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 569' ' ' ALA . . . . . 0.65 ' HA ' ' SD ' ' A' ' 563' ' ' MET . . . -62.74 -46.03 89.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.937 -0.574 . . . . 1.0 111.404 -176.231 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 570' ' ' GLN . . . . . . . . . . . . . 18.0 pt20 -69.4 -35.56 75.89 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.198 -0.455 . . . . 1.72 110.679 -178.236 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 571' ' ' ALA . . . . . . . . . . . . . . . -64.95 -43.47 92.58 Favored 'General case' 0 N--CA 1.455 -0.2 0 CA-C-N 116.273 -0.422 . . . . 1.08 110.931 178.716 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 572' ' ' MET . . . . . 0.668 ' HG3' ' O ' ' A' ' 568' ' ' ALA . 29.5 mtt -67.25 -44.03 80.43 Favored 'General case' 0 CA--C 1.516 -0.337 0 CA-C-N 116.385 -0.37 . . . . 1.05 110.481 179.881 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 573' ' ' VAL . . . . . 0.575 HG22 ' O ' ' A' ' 569' ' ' ALA . 82.3 t -58.2 -47.37 87.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 N-CA-C 110.004 -0.369 . . . . 1.08 110.004 179.778 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 574' ' ' GLN . . . . . . . . . . . . . 28.4 mm-40 -61.6 -36.94 82.16 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.534 -0.303 . . . . 2.79 111.208 179.256 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 575' ' ' TYR . . . . . . . . . . . . . 72.2 t80 -68.02 -53.07 28.56 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.303 -0.408 . . . . 1.09 110.756 179.24 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 576' ' ' TYR . . . . . 0.459 ' CD2' HD11 ' A' ' 590' ' ' ILE . 97.1 m-85 -74.81 -14.29 60.68 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 112.629 0.603 . . . . 1.03 112.629 -176.139 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 577' ' ' GLN . . . . . 0.523 ' HG2' ' O ' ' A' ' 573' ' ' VAL . 15.9 mm-40 -65.76 -42.9 90.32 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 109.66 -0.496 . . . . 2.14 109.66 169.895 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 578' ' ' GLU . . . . . . . . . . . . . 24.3 mm-40 -90.89 -39.08 12.5 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.443 -0.799 . . . . 2.14 111.946 -177.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 579' ' ' LYS . . . . . . . . . . . . . 64.3 mttp -129.77 86.97 53.7 Favored Pre-proline 0 C--N 1.325 -0.473 0 CA-C-O 120.82 0.343 . . . . 2.95 110.286 178.195 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 580' ' ' PRO . . . . . . . . . . . . . 55.9 Cg_endo -70.78 161.25 46.73 Favored 'Trans proline' 0 C--O 1.235 0.341 0 C-N-CA 122.656 2.237 . . . . 0.51 112.083 179.675 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 581' ' ' ALA . . . . . . . . . . . . . . . -93.14 136.55 33.3 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 109.127 -0.694 . . . . 1.09 109.127 178.835 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 582' ' ' ILE . . . . . . . . . . . . . 55.2 mt -105.84 124.87 61.24 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.787 0 C-N-CA 120.811 -0.355 . . . . 1.19 111.177 -175.523 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 583' ' ' ILE . . . . . . . . . . . . . 28.2 mm -129.77 114.21 29.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 116.069 -0.514 . . . . 1.21 109.869 177.33 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 584' ' ' ASN . . . . . . . . . . . . . 93.6 m-20 55.24 34.73 23.38 Favored 'General case' 0 N--CA 1.468 0.444 0 CA-C-O 121.202 0.525 . . . . 1.34 111.209 -178.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 585' ' ' GLY . . . . . . . . . . . . . . . 86.59 0.56 86.19 Favored Glycine 0 N--CA 1.448 -0.553 0 CA-C-N 115.682 -0.69 . . . . 0.51 113.414 177.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 586' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -104.09 124.26 48.73 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 117.199 0.5 . . . . 1.79 110.093 178.55 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 587' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -78.64 123.65 27.34 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.097 0.475 . . . . 2.25 111.038 174.75 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 588' ' ' LEU . . . . . 0.403 HD11 HD13 ' A' ' 540' ' ' LEU . 39.8 mt -80.55 137.7 36.43 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.619 -0.719 . . . . 1.03 110.397 -177.279 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 589' ' ' LEU . . . . . 0.593 ' HB3' ' SG ' ' A' ' 525' ' ' CYS . 28.6 tp -112.83 111.81 22.85 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.955 -0.566 . . . . 1.13 110.531 -177.781 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 590' ' ' ILE . . . . . 0.459 HD11 ' CD2' ' A' ' 576' ' ' TYR . 18.9 mt -103.03 118.7 50.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 N-CA-C 110.15 -0.315 . . . . 1.08 110.15 176.375 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 591' ' ' ARG . . . . . 0.403 ' HE ' HD12 ' A' ' 589' ' ' LEU . 89.6 mtt180 -145.87 165.84 27.71 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 109.852 -0.425 . . . . 3.18 109.852 -179.472 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 592' ' ' MET . . . . . . . . . . . . . 57.4 mtt -81.0 135.93 35.93 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 109.892 -0.41 . . . . 1.13 109.892 -179.046 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 593' ' ' SER . . . . . . . . . . . . . 47.6 t -73.32 135.94 44.43 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.38 0.609 . . . . 1.65 111.171 -179.283 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 594' ' ' THR . . . . . . . . . . . . . 18.7 p -91.11 -14.26 31.53 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 114.512 -1.222 . . . . 1.14 111.518 178.004 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 595' ' ' ARG . . . . . . . . . . . . . 62.5 mtp180 -100.77 -29.9 12.01 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 112.58 0.585 . . . . 3.37 112.58 -169.167 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 596' ' ' TYR . . . . . . . . . . . . . 95.9 m-85 -128.0 147.34 50.5 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 120.908 0.385 . . . . 1.15 111.744 -177.149 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 597' ' ' LYS . . . . . 0.445 ' N ' ' HD2' ' A' ' 597' ' ' LYS . 9.8 mptt -109.65 -10.06 14.84 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.744 -0.662 . . . . 2.63 112.671 179.84 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 598' ' ' GLU . . . . . . . . . . . . . 45.9 tt0 -144.01 149.6 36.96 Favored 'General case' 0 C--N 1.329 -0.295 0 C-N-CA 120.253 -0.579 . . . . 0.95 111.156 178.37 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 599' ' ' LEU . . . . . 0.507 HD22 HG13 ' A' ' 521' ' ' VAL . 64.0 mt -110.41 126.85 54.73 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.302 -0.863 . . . . 1.18 110.934 177.093 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 600' ' ' GLN . . . . . . . . . . . . . 46.0 tt0 -113.8 137.14 52.06 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.693 -0.685 . . . . 1.65 110.222 177.091 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 601' ' ' LEU . . . . . 0.438 ' HG ' HD21 ' A' ' 549' ' ' ASN . 70.3 mt -90.24 98.14 11.6 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.201 0.524 . . . . 1.23 111.123 177.685 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 602' ' ' LYS . . . . . . . . . . . . . 93.7 mttt -81.05 -16.31 53.61 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.585 0.707 . . . . 2.22 109.198 173.794 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 603' ' ' LYS . . . . . . . . . . . . . 75.5 mmtt -121.42 131.67 24.4 Favored Pre-proline 0 C--N 1.324 -0.519 0 CA-C-N 115.009 -0.996 . . . . 2.26 109.751 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 604' ' ' PRO . . . . . . . . . . . . . 37.2 Cg_endo -66.32 151.23 83.83 Favored 'Trans proline' 0 N--CA 1.462 -0.353 0 C-N-CA 122.452 2.102 . . . . 1.26 111.712 177.035 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 605' ' ' GLY . . . . . . . . . . . . . . . -131.06 -176.68 14.51 Favored Glycine 0 N--CA 1.44 -1.044 0 C-N-CA 120.975 -0.631 . . . . 1.23 111.747 -176.217 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 606' ' ' LYS . . . . . . . . . . . . . 49.3 mtmt -91.64 158.46 16.4 Favored 'General case' 0 C--N 1.309 -1.167 0 N-CA-C 109.234 -0.654 . . . . 3.96 109.234 177.774 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 607' ' ' ASN . . . . . . . . . . . . . 4.1 m-20 -60.41 121.32 11.77 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.173 0.511 . . . . 1.8 110.608 174.186 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 608' ' ' VAL . . . . . 0.559 HG11 ' HB ' ' A' ' 547' ' ' VAL . 69.6 t -74.22 -20.54 17.44 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.796 0 CA-C-N 115.339 -0.846 . . . . 1.07 110.878 -177.31 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 609' ' ' ALA . . . . . . . . . . . . . . . -60.79 -38.04 83.97 Favored 'General case' 0 C--O 1.242 0.693 0 CA-C-O 121.301 0.572 . . . . 1.27 110.946 175.62 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 610' ' ' ALA . . . . . . . . . . . . . . . -63.28 -29.07 70.46 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.884 -0.598 . . . . 1.14 110.383 177.173 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 611' ' ' ILE . . . . . . . . . . . . . 73.7 mt -71.38 -30.1 38.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 115.902 -0.59 . . . . 1.03 109.781 179.787 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 612' ' ' ILE . . . . . . . . . . . . . 62.1 mt -61.28 -43.48 96.61 Favored 'Isoleucine or valine' 0 C--O 1.234 0.285 0 N-CA-C 109.799 -0.445 . . . . 1.11 109.799 172.789 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 613' ' ' GLN . . . . . . . . . . . . . 19.3 mt-30 -62.79 -34.08 76.52 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.516 0.674 . . . . 3.02 109.593 177.252 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 614' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -65.42 -45.73 82.76 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 114.646 -1.161 . . . . 1.95 110.946 -178.253 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 615' ' ' ILE . . . . . 0.455 ' CD1' ' HB2' ' A' ' 542' ' ' LEU . 85.4 mt -59.49 -47.33 91.21 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.346 -0.388 . . . . 1.08 110.684 179.359 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 616' ' ' HIS . . . . . . . . . . . . . 62.0 m-70 -65.39 -31.9 73.24 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.804 -0.635 . . . . 1.73 111.352 179.386 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 617' ' ' SER . . . . . . . . . . . . . 48.9 m -71.04 -36.5 72.37 Favored 'General case' 0 N--CA 1.452 -0.346 0 CA-C-N 116.685 -0.234 . . . . 1.77 110.419 177.688 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 618' ' ' GLN . . . . . . . . . . . . . 78.6 mt-30 72.55 -43.27 0.56 Allowed 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 123.695 0.798 . . . . 5.45 111.926 177.313 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 619' ' ' ARG . . . . . . . . . . . . . 27.3 mmm180 -81.99 126.92 32.53 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 116.238 -0.437 . . . . 8.54 110.455 179.29 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 620' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -70.27 106.98 3.53 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.161 0.505 . . . . 7.92 110.044 175.859 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 621' ' ' ARG . . . . . . . . . . . . . 21.5 mmm180 . . . . . 0 C--O 1.249 1.057 0 CA-C-O 118.362 -0.827 . . . . 11.52 110.309 -177.561 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 1' ' ' ADN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 2' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.934 0 C3'-C2'-C1' 100.158 -1.491 . 0.0 '__' . 2.99 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 3' ' ' ' C' . . . . . 0.434 " H2'" ' HD2' ' A' ' 595' ' ' ARG . . . . . . . . 0 O5'--C5' 1.426 -0.895 0 O4'-C1'-N19 109.626 1.426 . 0.0 OUTLIER . 1.58 . . . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 4' ' ' ' U' . . . . . 0.439 " C5'" ' HE1' ' A' ' 553' ' ' MET . . . . . . . . 0 O5'--C5' 1.425 -0.947 0 C3'-C2'-C1' 99.739 -1.956 . 0.0 OUTLIER . 1.21 . . . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 5' ' ' ' U' . . . . . 0.537 " O5'" ' H2 ' ' B' ' 6' ' ' ' A' . . . . . . . . 0 O5'--C5' 1.425 -0.953 0 C4'-C3'-C2' 104.126 1.426 . 0.0 OUTLIER alpha 1.33 . . . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 6' ' ' ' A' . . . . . 0.537 ' H2 ' " O5'" ' B' ' 5' ' ' ' U' . . . . . . . . 0 O5'--C5' 1.426 -0.886 0 C3'-C2'-C1' 100.493 -1.119 . 0.0 OUTLIER . 4.58 . . . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 510' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.694 0 N-CA-C 111.754 -0.539 . . . . 9.27 111.754 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 511' ' ' ALA . . . . . . . . . . . . . . . 73.21 -47.55 0.67 Allowed 'General case' 0 N--CA 1.47 0.552 0 C-N-CA 123.627 0.771 . . . . 6.96 112.827 175.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 512' ' ' MET . . . . . . . . . . . . . 16.1 tpt -61.43 -60.33 3.88 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.158 0.504 . . . . 6.68 110.515 -179.267 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 513' ' ' ALA . . . . . . . . . . . . . . . -104.31 113.69 27.42 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.691 -0.686 . . . . 4.66 109.329 175.635 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 514' ' ' GLN . . . . . 0.454 ' HA ' ' OE1' ' A' ' 514' ' ' GLN . 13.5 mm-40 -68.08 132.45 47.25 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 120.93 0.395 . . . . 2.88 110.672 -176.698 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 515' ' ' ARG . . . . . . . . . . . . . 79.3 mtp180 -59.92 130.53 47.22 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.526 -0.761 . . . . 4.64 111.343 -177.415 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 516' ' ' LYS . . . . . . . . . . . . . 75.0 mmtt -129.02 42.49 3.31 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.623 -0.717 . . . . 2.38 109.681 178.131 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 517' ' ' GLY . . . . . . . . . . . . . . . -114.7 -75.7 0.65 Allowed Glycine 0 N--CA 1.448 -0.506 0 C-N-CA 120.773 -0.727 . . . . 2.04 111.798 -179.412 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 518' ' ' ALA . . . . . . . . . . . . . . . -92.23 60.0 3.61 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.444 0.64 . . . . 1.94 109.811 177.851 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 519' ' ' GLY . . . . . . . . . . . . . . . 134.13 115.09 1.53 Allowed Glycine 0 N--CA 1.446 -0.697 0 N-CA-C 110.836 -0.906 . . . . 0.98 110.836 -173.756 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 520' ' ' ARG . . . . . 0.621 ' NH1' ' HA ' ' A' ' 566' ' ' THR . 19.7 mtm105 -134.87 136.92 42.78 Favored 'General case' 0 C--N 1.323 -0.561 0 C-N-CA 120.178 -0.609 . . . . 2.86 111.391 179.439 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 521' ' ' VAL . . . . . 0.532 HG11 HD21 ' A' ' 599' ' ' LEU . 72.3 t -116.08 123.93 71.84 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.837 0 CA-C-N 115.057 -0.974 . . . . 1.14 110.253 169.45 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 522' ' ' VAL . . . . . 0.445 ' HB ' ' O ' ' A' ' 561' ' ' LEU . 35.0 t -120.24 121.17 65.02 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.692 0 N-CA-C 107.803 -1.184 . . . . 1.05 107.803 174.526 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 523' ' ' HIS . . . . . . . . . . . . . 50.6 t-80 -107.89 133.49 52.18 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-O 121.085 0.469 . . . . 0.57 110.744 -171.663 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 524' ' ' ILE . . . . . . . . . . . . . 30.4 mt -111.44 140.46 30.75 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.914 0 N-CA-C 108.492 -0.929 . . . . 1.06 108.492 177.073 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 525' ' ' CYS . . . . . 0.486 ' O ' ' HB2' ' A' ' 526' ' ' ASN . 2.3 p -140.95 167.35 22.4 Favored 'General case' 0 C--N 1.312 -1.023 0 C-N-CA 120.453 -0.499 . . . . 1.75 111.323 -175.915 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 526' ' ' ASN . . . . . 0.486 ' HB2' ' O ' ' A' ' 525' ' ' CYS . 91.4 m-20 85.66 29.58 0.05 OUTLIER 'General case' 0 N--CA 1.467 0.384 0 O-C-N 124.922 1.389 . . . . 0.28 110.116 178.28 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 527' ' ' LEU . . . . . 0.485 ' O ' ' HB3' ' A' ' 557' ' ' ASN . 79.7 mt -91.19 122.81 65.84 Favored Pre-proline 0 C--N 1.325 -0.5 0 N-CA-C 108.706 -0.85 . . . . 1.04 108.706 177.056 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 528' ' ' PRO . . . . . . . . . . . . . 12.5 Cg_exo -68.69 135.24 32.56 Favored 'Trans proline' 0 N--CA 1.46 -0.483 0 C-N-CA 121.622 1.548 . . . . 0.5 111.623 -179.161 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 529' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -64.65 131.93 48.31 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 109.691 -0.485 . . . . 1.6 109.691 176.351 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 530' ' ' GLY . . . . . . . . . . . . . . . 89.69 2.76 75.26 Favored Glycine 0 N--CA 1.446 -0.639 0 N-CA-C 110.553 -1.019 . . . . 0.52 110.553 -173.662 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 531' ' ' SER . . . . . . . . . . . . . 20.3 m -141.27 7.06 1.96 Allowed 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.263 0.554 . . . . 1.49 109.699 -178.129 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 532' ' ' CYS . . . . . . . . . . . . . 70.5 m -89.07 89.45 7.97 Favored 'General case' 0 CA--C 1.515 -0.39 0 N-CA-C 108.913 -0.773 . . . . 0.25 108.913 -179.384 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 533' ' ' THR . . . . . 0.565 ' O ' HG23 ' A' ' 537' ' ' VAL . 82.0 p -102.57 149.39 24.46 Favored 'General case' 0 C--N 1.317 -0.816 0 N-CA-C 109.281 -0.636 . . . . 1.1 109.281 -179.212 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 534' ' ' GLU . . . . . 0.505 ' N ' HD12 ' A' ' 552' ' ' LEU . 39.2 mt-10 -68.56 -35.0 76.81 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 121.282 0.563 . . . . 1.64 110.028 -179.638 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 535' ' ' ASN . . . . . 0.418 ' OD1' HG23 ' A' ' 611' ' ' ILE . 66.0 t30 -64.02 -48.74 75.13 Favored 'General case' 0 C--O 1.216 -0.683 0 CA-C-N 115.2 -0.909 . . . . 1.86 111.006 -174.485 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 536' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -69.22 -40.57 77.9 Favored 'General case' 0 N--CA 1.469 0.479 0 CA-C-O 121.112 0.482 . . . . 0.61 111.275 -172.576 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 537' ' ' VAL . . . . . 0.565 HG23 ' O ' ' A' ' 533' ' ' THR . 35.9 t -61.32 -48.03 90.78 Favored 'Isoleucine or valine' 0 C--O 1.242 0.679 0 CA-C-N 115.154 -0.93 . . . . 1.03 109.836 179.791 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 538' ' ' ILE . . . . . 0.67 HD12 ' CG ' ' A' ' 550' ' ' TYR . 64.0 mt -68.16 -33.94 63.7 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.716 0 CA-C-N 115.273 -0.876 . . . . 1.06 111.367 176.313 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 539' ' ' ASN . . . . . 0.444 ' HA ' HD13 ' A' ' 615' ' ' ILE . 11.6 m120 -58.53 -26.05 63.1 Favored 'General case' 0 CA--C 1.515 -0.376 0 CA-C-O 120.637 0.256 . . . . 0.25 110.375 176.571 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 540' ' ' LEU . . . . . 0.429 HD11 HD12 ' A' ' 588' ' ' LEU . 85.4 mt -74.83 -42.5 57.88 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 109.59 -0.522 . . . . 1.11 109.59 173.237 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 541' ' ' GLY . . . . . 0.401 ' CA ' HD22 ' A' ' 561' ' ' LEU . . . -66.53 -52.76 32.52 Favored Glycine 0 CA--C 1.525 0.663 0 N-CA-C 115.817 1.087 . . . . 0.19 115.817 -178.579 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 542' ' ' LEU . . . . . 0.475 ' HB2' ' CD1' ' A' ' 615' ' ' ILE . 41.1 mt -57.67 -48.29 97.47 Favored Pre-proline 0 C--N 1.323 -0.577 0 N-CA-C 114.969 1.47 . . . . 1.06 114.969 -167.901 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 543' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_exo -59.41 -24.08 73.13 Favored 'Trans proline' 0 C--N 1.346 0.405 0 C-N-CA 122.266 1.977 . . . . 0.25 113.587 -176.449 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 544' ' ' PHE . . . . . 0.459 ' HB2' ' HE1' ' A' ' 572' ' ' MET . 95.3 m-85 -100.51 -15.81 17.74 Favored 'General case' 0 C--N 1.331 -0.218 0 C-N-CA 120.845 -0.342 . . . . 0.38 111.265 177.169 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 545' ' ' GLY . . . . . 0.468 ' O ' ' HA ' ' A' ' 542' ' ' LEU . . . 177.31 156.06 15.19 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.709 -0.758 . . . . 0.44 112.318 179.202 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 546' ' ' LYS . . . . . . . . . . . . . 28.1 tptp -66.3 128.13 34.96 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.471 0.653 . . . . 2.62 111.395 -177.24 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 547' ' ' VAL . . . . . 0.521 ' HB ' HG11 ' A' ' 608' ' ' VAL . 70.3 t -89.13 116.23 30.28 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-N 114.965 -1.016 . . . . 1.05 109.925 177.115 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 548' ' ' THR . . . . . . . . . . . . . 22.7 p -94.87 -36.03 11.8 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.037 -0.528 . . . . 1.11 111.724 179.741 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 549' ' ' ASN . . . . . . . . . . . . . 92.1 m-20 -143.29 160.96 39.53 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.217 -0.447 . . . . 1.49 110.558 179.462 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 550' ' ' TYR . . . . . 0.67 ' CG ' HD12 ' A' ' 538' ' ' ILE . 3.3 p90 -161.41 151.72 17.52 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.502 -0.772 . . . . 0.96 109.582 -179.269 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 551' ' ' ILE . . . . . 0.471 ' HB ' ' HB2' ' A' ' 560' ' ' PHE . 50.0 mt -144.28 127.46 11.9 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 N-CA-C 108.289 -1.004 . . . . 1.1 108.289 -176.882 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 552' ' ' LEU . . . . . 0.505 HD12 ' N ' ' A' ' 534' ' ' GLU . 26.7 mt -106.73 119.71 40.06 Favored 'General case' 0 C--N 1.313 -0.998 0 C-N-CA 119.926 -0.71 . . . . 1.17 110.394 179.852 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 553' ' ' MET . . . . . 0.494 ' HA ' " H4'" ' B' ' 5' ' ' ' U' . 30.7 mtp -101.95 80.44 2.0 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 108.253 -1.017 . . . . 1.55 108.253 -178.7 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 554' ' ' LYS . . . . . 0.473 ' HB2' " C5'" ' B' ' 6' ' ' ' A' . 26.4 mmtp -53.93 -29.56 42.87 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 114.632 -1.167 . . . . 1.63 113.3 178.318 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 555' ' ' SER . . . . . . . . . . . . . 63.4 p -70.02 -45.08 67.96 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 120.693 0.282 . . . . 0.7 111.758 -174.05 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 556' ' ' THR . . . . . . . . . . . . . 42.6 p -100.27 7.95 44.07 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 112.711 0.634 . . . . 1.14 112.711 -174.753 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 557' ' ' ASN . . . . . 0.485 ' HB3' ' O ' ' A' ' 527' ' ' LEU . 34.6 m-80 59.92 39.59 20.07 Favored 'General case' 0 N--CA 1.468 0.46 0 CA-C-O 121.523 0.678 . . . . 2.03 109.936 -177.575 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 558' ' ' GLN . . . . . . . . . . . . . 76.6 mt-30 -135.83 168.29 19.58 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.344 -0.844 . . . . 1.24 109.908 -175.332 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 559' ' ' ALA . . . . . . . . . . . . . . . -158.66 165.63 33.96 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.19 0.519 . . . . 1.04 111.709 179.187 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 560' ' ' PHE . . . . . 0.471 ' HB2' ' HB ' ' A' ' 551' ' ' ILE . 88.1 m-85 -119.93 144.33 47.5 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.975 -0.557 . . . . 0.46 110.707 176.548 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 561' ' ' LEU . . . . . 0.445 ' O ' ' HB ' ' A' ' 522' ' ' VAL . 56.1 tp -132.62 118.8 19.62 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.709 -0.678 . . . . 1.06 109.955 179.415 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 562' ' ' GLU . . . . . . . . . . . . . 26.5 tt0 -101.0 124.32 46.54 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.428 0.632 . . . . 2.09 110.391 179.353 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 563' ' ' MET . . . . . 0.577 ' HB2' ' NH2' ' A' ' 520' ' ' ARG . 20.9 mtt -110.73 154.62 23.64 Favored 'General case' 0 C--N 1.317 -0.83 0 CA-C-N 115.074 -0.966 . . . . 1.06 108.762 -177.855 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 564' ' ' ALA . . . . . . . . . . . . . . . -73.21 -25.43 60.76 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 123.217 0.323 . . . . 1.25 111.768 -170.708 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 565' ' ' TYR . . . . . . . . . . . . . 68.2 m-85 -139.23 149.34 44.23 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.017 0.437 . . . . 1.39 110.437 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 566' ' ' THR . . . . . 0.621 ' HA ' ' NH1' ' A' ' 520' ' ' ARG . 2.2 t -67.88 -26.35 65.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.632 -0.713 . . . . 1.24 110.497 -177.672 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 567' ' ' GLU . . . . . 0.539 ' HA ' HE21 ' A' ' 570' ' ' GLN . 13.1 pt-20 -56.0 -32.64 64.13 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 115.75 -0.659 . . . . 0.89 111.128 177.518 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 568' ' ' ALA . . . . . 0.674 ' O ' ' HG3' ' A' ' 572' ' ' MET . . . -73.26 -40.81 64.31 Favored 'General case' 0 N--CA 1.45 -0.436 0 CA-C-N 116.294 -0.412 . . . . 1.08 110.798 -176.202 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 569' ' ' ALA . . . . . 0.526 ' CB ' HH12 ' A' ' 520' ' ' ARG . . . -65.55 -44.95 85.22 Favored 'General case' 0 CA--C 1.516 -0.36 0 CA-C-N 116.319 -0.401 . . . . 1.0 111.731 -174.43 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 570' ' ' GLN . . . . . 0.539 HE21 ' HA ' ' A' ' 567' ' ' GLU . 15.7 pt20 -66.97 -35.4 79.88 Favored 'General case' 0 C--N 1.326 -0.421 0 C-N-CA 120.834 -0.346 . . . . 1.72 110.165 -179.176 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 571' ' ' ALA . . . . . . . . . . . . . . . -64.16 -44.05 93.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.118 -0.492 . . . . 1.08 110.758 176.562 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 572' ' ' MET . . . . . 0.674 ' HG3' ' O ' ' A' ' 568' ' ' ALA . 31.7 mtt -66.38 -45.8 78.85 Favored 'General case' 0 CA--C 1.521 -0.155 0 CA-C-N 116.362 -0.381 . . . . 1.05 110.806 179.877 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 573' ' ' VAL . . . . . 0.501 HG22 ' O ' ' A' ' 569' ' ' ALA . 89.8 t -58.54 -46.69 89.79 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.182 0 N-CA-C 110.301 -0.259 . . . . 1.08 110.301 -178.635 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 574' ' ' GLN . . . . . . . . . . . . . 27.9 mt-30 -60.93 -37.98 84.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.031 0.443 . . . . 2.79 110.751 178.584 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 575' ' ' TYR . . . . . . . . . . . . . 92.7 t80 -69.03 -52.86 24.22 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.757 -0.656 . . . . 1.09 110.851 -178.78 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 576' ' ' TYR . . . . . 0.486 ' HA ' ' O ' ' A' ' 579' ' ' LYS . 84.1 m-85 -75.2 -13.48 60.46 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 113.024 0.75 . . . . 1.03 113.024 -175.527 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 577' ' ' GLN . . . . . 0.43 ' HG2' ' O ' ' A' ' 573' ' ' VAL . 13.9 mm-40 -74.07 -41.96 60.92 Favored 'General case' 0 C--N 1.321 -0.634 0 C-N-CA 120.288 -0.565 . . . . 2.14 109.836 171.601 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 578' ' ' GLU . . . . . . . . . . . . . 40.3 mm-40 -84.53 -39.3 18.97 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.325 -0.398 . . . . 2.14 110.731 178.879 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 579' ' ' LYS . . . . . 0.486 ' O ' ' HA ' ' A' ' 576' ' ' TYR . 54.6 mtpt -130.85 91.28 37.35 Favored Pre-proline 0 C--O 1.234 0.289 0 C-N-CA 122.732 0.413 . . . . 2.95 110.324 176.697 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 580' ' ' PRO . . . . . 0.409 ' HB2' ' HB3' ' A' ' 587' ' ' LYS . 57.7 Cg_endo -71.38 162.04 43.66 Favored 'Trans proline' 0 C--O 1.237 0.441 0 C-N-CA 122.667 2.245 . . . . 0.51 112.383 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 581' ' ' ALA . . . . . 0.402 ' O ' ' HG ' ' A' ' 588' ' ' LEU . . . -92.25 135.11 34.27 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 109.567 -0.531 . . . . 1.09 109.567 178.842 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 582' ' ' ILE . . . . . . . . . . . . . 37.9 mt -98.28 124.04 51.15 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 CA-C-O 120.72 0.295 . . . . 1.19 111.137 -175.63 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 583' ' ' ILE . . . . . . . . . . . . . 30.4 mm -130.65 112.54 22.81 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 N-CA-C 109.802 -0.444 . . . . 1.21 109.802 174.158 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 584' ' ' ASN . . . . . 0.517 HD21 ' N ' ' A' ' 584' ' ' ASN . 0.8 OUTLIER 57.79 33.53 23.33 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-N 115.867 -0.606 . . . . 1.34 110.731 177.585 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 585' ' ' GLY . . . . . . . . . . . . . . . 86.15 5.5 82.91 Favored Glycine 0 N--CA 1.444 -0.773 0 CA-C-N 115.415 -0.812 . . . . 0.51 113.82 177.374 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 586' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -113.73 127.75 56.15 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 117.6 0.7 . . . . 1.79 111.093 176.853 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 587' ' ' LYS . . . . . 0.409 ' HB3' ' HB2' ' A' ' 580' ' ' PRO . 40.7 mmtm -73.56 126.96 31.45 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.965 -0.561 . . . . 2.25 110.911 176.627 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 588' ' ' LEU . . . . . 0.429 HD12 HD11 ' A' ' 540' ' ' LEU . 40.0 mt -82.89 139.86 33.19 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.896 0.379 . . . . 1.03 111.173 -179.153 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 589' ' ' LEU . . . . . . . . . . . . . 65.0 tp -113.62 114.19 26.1 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.711 -0.677 . . . . 1.13 110.853 -179.828 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 590' ' ' ILE . . . . . 0.45 HD13 ' CD2' ' A' ' 576' ' ' TYR . 24.9 mt -100.19 128.6 51.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 N-CA-C 110.231 -0.285 . . . . 1.08 110.231 175.886 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 591' ' ' ARG . . . . . . . . . . . . . 80.5 mtp180 -146.36 159.12 43.79 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.404 -0.362 . . . . 3.18 110.629 -176.898 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 592' ' ' MET . . . . . . . . . . . . . 49.7 mtt -83.24 129.28 35.0 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 109.912 -0.403 . . . . 1.13 109.912 176.025 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 593' ' ' SER . . . . . . . . . . . . . 46.3 t -65.24 129.81 41.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.359 0.6 . . . . 1.65 111.651 -177.048 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 594' ' ' THR . . . . . . . . . . . . . 17.0 p -90.09 -11.74 40.44 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-N 114.711 -1.131 . . . . 1.14 111.712 178.738 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 595' ' ' ARG . . . . . 0.434 ' HD2' " H2'" ' B' ' 3' ' ' ' C' . 99.4 mtt180 -104.4 -30.81 9.84 Favored 'General case' 0 CA--C 1.531 0.241 0 N-CA-C 113.172 0.805 . . . . 3.37 113.172 -173.915 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 596' ' ' TYR . . . . . . . . . . . . . 65.1 m-85 -120.27 146.43 46.09 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 112.433 0.531 . . . . 1.15 112.433 -174.875 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 597' ' ' LYS . . . . . 0.514 ' N ' ' HD2' ' A' ' 597' ' ' LYS . 0.1 OUTLIER -109.82 -8.31 14.92 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.352 -0.84 . . . . 2.63 111.979 -178.721 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 598' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 -144.07 151.46 39.67 Favored 'General case' 0 C--N 1.328 -0.351 0 C-N-CA 120.599 -0.44 . . . . 0.95 111.556 -177.515 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 599' ' ' LEU . . . . . 0.532 HD21 HG11 ' A' ' 521' ' ' VAL . 72.1 mt -114.43 122.59 47.1 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.597 -0.728 . . . . 1.18 110.893 175.689 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 600' ' ' GLN . . . . . . . . . . . . . 29.3 tt0 -114.27 123.81 50.46 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.761 -0.654 . . . . 1.65 110.394 178.032 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 601' ' ' LEU . . . . . . . . . . . . . 40.2 mt -78.2 93.63 4.62 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.917 0.389 . . . . 1.23 111.084 179.763 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 602' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -70.74 -23.46 62.43 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.389 0.614 . . . . 2.22 109.885 174.787 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 603' ' ' LYS . . . . . . . . . . . . . 35.2 mmtp -115.72 142.18 28.58 Favored Pre-proline 0 C--N 1.323 -0.569 0 CA-C-N 115.313 -0.858 . . . . 2.26 109.363 177.479 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 604' ' ' PRO . . . . . . . . . . . . . 44.0 Cg_endo -68.68 156.33 65.88 Favored 'Trans proline' 0 N--CA 1.464 -0.219 0 C-N-CA 122.412 2.075 . . . . 1.26 111.404 177.531 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 605' ' ' GLY . . . . . . . . . . . . . . . -131.71 147.92 18.82 Favored Glycine 0 N--CA 1.438 -1.227 0 C-N-CA 120.518 -0.849 . . . . 1.23 112.446 -176.065 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 606' ' ' LYS . . . . . . . . . . . . . 47.2 mtmt -68.98 159.26 33.11 Favored 'General case' 0 C--N 1.319 -0.726 0 N-CA-C 109.695 -0.483 . . . . 3.96 109.695 175.057 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 607' ' ' ASN . . . . . . . . . . . . . 37.6 t30 -60.41 121.98 13.43 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.893 0.378 . . . . 1.8 111.016 178.101 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 608' ' ' VAL . . . . . 0.521 HG11 ' HB ' ' A' ' 547' ' ' VAL . 96.5 t -77.47 -21.74 14.15 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-N 115.77 -0.65 . . . . 1.07 111.158 -176.295 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 609' ' ' ALA . . . . . . . . . . . . . . . -61.41 -32.54 72.48 Favored 'General case' 0 C--O 1.236 0.392 0 CA-C-O 121.202 0.525 . . . . 1.27 110.859 175.809 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 610' ' ' ALA . . . . . . . . . . . . . . . -64.83 -29.71 70.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.835 -0.62 . . . . 1.14 110.188 176.067 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 611' ' ' ILE . . . . . 0.418 HG23 ' OD1' ' A' ' 535' ' ' ASN . 76.7 mt -71.5 -30.65 39.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 115.371 -0.831 . . . . 1.03 110.018 179.044 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 612' ' ' ILE . . . . . . . . . . . . . 71.2 mt -60.98 -43.61 96.39 Favored 'Isoleucine or valine' 0 C--O 1.235 0.317 0 CA-C-O 121.168 0.508 . . . . 1.11 109.952 172.743 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 613' ' ' GLN . . . . . . . . . . . . . 11.6 mm100 -63.46 -30.3 71.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.491 -0.777 . . . . 3.02 109.872 177.159 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 614' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -71.38 -46.14 61.08 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 114.868 -1.06 . . . . 1.95 110.718 -178.251 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 615' ' ' ILE . . . . . 0.475 ' CD1' ' HB2' ' A' ' 542' ' ' LEU . 88.0 mt -61.01 -47.18 94.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.061 -0.518 . . . . 1.08 110.74 179.365 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 616' ' ' HIS . . . . . . . . . . . . . 40.9 m170 -64.56 -38.05 89.66 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.45 -0.795 . . . . 1.73 111.779 -177.595 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 617' ' ' SER . . . . . 0.423 ' HB2' ' CB ' ' A' ' 620' ' ' GLU . 20.9 p -75.25 -34.79 61.43 Favored 'General case' 0 C--N 1.325 -0.47 0 C-N-CA 120.936 -0.306 . . . . 1.77 111.24 -178.803 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 618' ' ' GLN . . . . . . . . . . . . . 77.4 mt-30 66.87 -83.33 0.03 OUTLIER 'General case' 0 N--CA 1.468 0.431 0 C-N-CA 123.353 0.661 . . . . 5.45 112.222 174.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 619' ' ' ARG . . . . . . . . . . . . . 96.4 mtt180 -92.87 34.33 1.1 Allowed 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.256 0.55 . . . . 8.54 110.825 -173.856 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 620' ' ' GLU . . . . . 0.423 ' CB ' ' HB2' ' A' ' 617' ' ' SER . 29.0 tt0 -114.85 63.11 0.67 Allowed 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 108.665 -0.865 . . . . 7.92 108.665 178.487 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 621' ' ' ARG . . . . . . . . . . . . . 9.3 tpp180 . . . . . 0 C--O 1.246 0.872 0 CA-C-N 115.004 -0.998 . . . . 11.52 110.858 -173.389 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 1' ' ' ADN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 2' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.906 0 N19-C1'-C2' 114.662 0.789 . 0.0 '__' . 2.99 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 3' ' ' ' C' . . . . . 0.545 " H4'" ' HE3' ' A' ' 553' ' ' MET . . . . . . . . 0 O5'--C5' 1.425 -0.926 0 O4'-C1'-N19 109.172 0.972 . 0.0 OUTLIER . 1.58 . . . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 4' ' ' ' U' . . . . . 0.454 ' O4 ' ' HA ' ' A' ' 599' ' ' LEU . . . . . . . . 0 O5'--C5' 1.428 -0.772 0 C3'-C2'-C1' 100.667 -0.925 . 0.0 OUTLIER gamma 1.21 . . . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 5' ' ' ' U' . . . . . 0.764 " H4'" ' HA ' ' A' ' 553' ' ' MET . . . . . . . . 0 O5'--C5' 1.424 -0.997 0 C4'-C3'-C2' 104.243 1.543 . 0.0 OUTLIER gamma 1.33 . . . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 6' ' ' ' A' . . . . . 0.565 " H5'" " O2'" ' B' ' 5' ' ' ' U' . . . . . . . . 0 O5'--C5' 1.425 -0.912 0 C3'-C2'-C1' 99.923 -1.753 . 0.031 2[ . 4.58 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 510' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.709 0 N-CA-C 111.773 -0.531 . . . . 9.27 111.773 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 511' ' ' ALA . . . . . . . . . . . . . . . -93.75 110.5 22.13 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.721 0.296 . . . . 6.96 110.903 -179.106 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 512' ' ' MET . . . . . . . . . . . . . 40.0 tpp -78.47 -41.98 31.08 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.379 0.609 . . . . 6.68 109.59 176.185 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 513' ' ' ALA . . . . . . . . . . . . . . . -100.17 169.2 9.32 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.439 -0.8 . . . . 4.66 109.287 173.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 514' ' ' GLN . . . . . . . . . . . . . 15.2 mm100 63.35 102.14 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.31 0 CA-C-O 121.554 0.692 . . . . 2.88 110.799 -176.69 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 515' ' ' ARG . . . . . . . . . . . . . 90.0 mtt180 -88.96 -63.86 1.23 Allowed 'General case' 0 C--N 1.316 -0.882 0 CA-C-N 115.473 -0.785 . . . . 4.64 110.151 -176.653 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 516' ' ' LYS . . . . . . . . . . . . . 39.4 mmtm 55.9 49.99 14.86 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-N 116.038 -0.528 . . . . 2.38 111.444 176.059 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 517' ' ' GLY . . . . . . . . . . . . . . . -109.44 -79.42 1.1 Allowed Glycine 0 N--CA 1.448 -0.514 0 N-CA-C 111.127 -0.789 . . . . 2.04 111.127 175.825 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 518' ' ' ALA . . . . . . . . . . . . . . . -88.19 92.26 9.09 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 108.937 -0.764 . . . . 1.94 108.937 173.099 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 519' ' ' GLY . . . . . . . . . . . . . . . 105.93 99.16 2.59 Favored Glycine 0 N--CA 1.445 -0.715 0 N-CA-C 110.144 -1.182 . . . . 0.98 110.144 -170.322 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 520' ' ' ARG . . . . . . . . . . . . . 45.8 mtm-85 -119.93 132.81 55.64 Favored 'General case' 0 C--N 1.323 -0.579 0 C-N-CA 119.975 -0.69 . . . . 2.86 111.105 -179.039 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 521' ' ' VAL . . . . . 0.483 HG11 HD21 ' A' ' 599' ' ' LEU . 84.0 t -118.26 123.18 71.22 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.71 0 CA-C-N 115.27 -0.877 . . . . 1.14 110.509 170.135 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 522' ' ' VAL . . . . . 0.572 ' HB ' ' O ' ' A' ' 561' ' ' LEU . 24.5 t -120.03 121.87 67.01 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.924 0 N-CA-C 107.9 -1.148 . . . . 1.05 107.9 174.525 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 523' ' ' HIS . . . . . . . . . . . . . 39.8 t-80 -105.75 131.02 53.61 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-O 121.152 0.501 . . . . 0.57 110.276 -174.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 524' ' ' ILE . . . . . . . . . . . . . 40.3 mt -110.38 138.88 36.32 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.039 0 N-CA-C 108.372 -0.973 . . . . 1.06 108.372 178.405 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 525' ' ' CYS . . . . . 0.468 ' O ' ' HB2' ' A' ' 526' ' ' ASN . 3.8 p -138.24 163.54 31.48 Favored 'General case' 0 C--N 1.31 -1.115 0 C-N-CA 120.638 -0.425 . . . . 1.75 111.419 -175.709 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 526' ' ' ASN . . . . . 0.468 ' HB2' ' O ' ' A' ' 525' ' ' CYS . 90.4 m-20 83.45 27.08 0.1 Allowed 'General case' 0 CA--C 1.516 -0.341 0 O-C-N 124.766 1.292 . . . . 0.28 110.561 175.813 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 527' ' ' LEU . . . . . 0.483 ' O ' ' HB3' ' A' ' 557' ' ' ASN . 90.3 mt -82.14 125.32 77.36 Favored Pre-proline 0 C--N 1.325 -0.465 0 N-CA-C 108.352 -0.981 . . . . 1.04 108.352 176.684 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 528' ' ' PRO . . . . . 0.418 ' HB3' ' OE2' ' A' ' 586' ' ' GLU . 37.3 Cg_endo -74.85 134.59 18.28 Favored 'Trans proline' 0 N--CA 1.457 -0.675 0 C-N-CA 121.324 1.35 . . . . 0.5 112.469 -179.09 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 529' ' ' GLU . . . . . . . . . . . . . 7.7 tp10 -65.14 139.68 58.71 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.629 -0.714 . . . . 1.6 109.525 175.826 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 530' ' ' GLY . . . . . . . . . . . . . . . 91.13 4.3 68.98 Favored Glycine 0 N--CA 1.443 -0.892 0 N-CA-C 110.806 -0.918 . . . . 0.52 110.806 -173.21 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 531' ' ' SER . . . . . 0.402 ' HB3' ' HG2' ' A' ' 528' ' ' PRO . 39.3 t -156.48 9.05 0.22 Allowed 'General case' 0 N--CA 1.449 -0.51 0 CA-C-O 120.867 0.365 . . . . 1.49 110.467 -174.012 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 532' ' ' CYS . . . . . . . . . . . . . 74.8 m -89.25 81.2 6.73 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 109.229 -0.656 . . . . 0.25 109.229 178.658 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 533' ' ' THR . . . . . 0.44 ' O ' HG21 ' A' ' 537' ' ' VAL . 27.2 p -104.15 153.7 20.63 Favored 'General case' 0 N--CA 1.445 -0.685 0 C-N-CA 119.575 -0.85 . . . . 1.1 109.228 -178.5 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 534' ' ' GLU . . . . . 0.532 ' HA ' HD13 ' A' ' 552' ' ' LEU . 20.7 mp0 -63.27 -32.62 74.08 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-O 121.259 0.552 . . . . 1.64 109.756 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 535' ' ' ASN . . . . . . . . . . . . . 63.6 t30 -62.67 -48.88 77.38 Favored 'General case' 0 C--O 1.216 -0.663 0 CA-C-N 115.177 -0.92 . . . . 1.86 111.133 -178.205 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 536' ' ' ASP . . . . . . . . . . . . . 65.2 m-20 -68.86 -46.11 69.33 Favored 'General case' 0 N--CA 1.472 0.66 0 CA-C-O 121.648 0.737 . . . . 0.61 110.77 -171.588 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 537' ' ' VAL . . . . . 0.44 HG21 ' O ' ' A' ' 533' ' ' THR . 26.6 t -60.18 -48.41 88.19 Favored 'Isoleucine or valine' 0 C--O 1.241 0.644 0 CA-C-N 114.339 -1.301 . . . . 1.03 109.888 -177.298 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 538' ' ' ILE . . . . . 0.596 HD13 ' CG ' ' A' ' 550' ' ' TYR . 59.2 mt -69.33 -34.19 61.44 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.764 0 CA-C-N 115.274 -0.876 . . . . 1.06 111.917 177.107 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 539' ' ' ASN . . . . . 0.471 ' HA ' HD11 ' A' ' 615' ' ' ILE . 10.2 m120 -59.02 -26.48 64.59 Favored 'General case' 0 CA--C 1.515 -0.403 0 O-C-N 122.227 -0.296 . . . . 0.25 110.641 177.601 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 540' ' ' LEU . . . . . 0.546 ' HB3' ' HH ' ' A' ' 576' ' ' TYR . 89.0 mt -75.67 -42.17 51.99 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 109.719 -0.474 . . . . 1.11 109.719 172.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 541' ' ' GLY . . . . . 0.494 ' HA2' ' SD ' ' A' ' 572' ' ' MET . . . -63.96 -52.07 48.02 Favored Glycine 0 CA--C 1.523 0.547 0 N-CA-C 115.36 0.904 . . . . 0.19 115.36 -179.665 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 542' ' ' LEU . . . . . 0.411 ' HB2' ' CD1' ' A' ' 615' ' ' ILE . 74.7 mt -56.15 -45.38 99.92 Favored Pre-proline 0 C--N 1.322 -0.608 0 N-CA-C 114.917 1.451 . . . . 1.06 114.917 -168.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 543' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_exo -60.23 -26.99 83.97 Favored 'Trans proline' 0 C--N 1.347 0.463 0 C-N-CA 122.067 1.845 . . . . 0.25 113.676 -178.129 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 544' ' ' PHE . . . . . 0.514 ' HB2' ' HE1' ' A' ' 572' ' ' MET . 90.6 m-85 -100.81 -7.22 23.83 Favored 'General case' 0 C--N 1.33 -0.269 0 C-N-CA 120.866 -0.334 . . . . 0.38 111.239 179.67 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 545' ' ' GLY . . . . . . . . . . . . . . . 168.86 151.55 7.26 Favored Glycine 0 N--CA 1.449 -0.463 0 C-N-CA 120.554 -0.832 . . . . 0.44 112.24 -179.374 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 546' ' ' LYS . . . . . . . . . . . . . 37.0 ttpt -66.13 128.78 37.44 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.033 0.444 . . . . 2.62 111.15 -178.119 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 547' ' ' VAL . . . . . 0.544 ' HB ' HG12 ' A' ' 608' ' ' VAL . 72.3 t -88.33 115.68 28.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-N 115.445 -0.798 . . . . 1.05 110.4 177.447 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 548' ' ' THR . . . . . . . . . . . . . 20.5 p -95.2 -36.75 11.33 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.213 -0.448 . . . . 1.11 111.944 179.337 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 549' ' ' ASN . . . . . 0.431 ' HB2' ' CB ' ' A' ' 562' ' ' GLU . 7.3 m-20 -141.09 153.94 45.69 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 109.372 -0.603 . . . . 1.49 109.372 -177.778 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 550' ' ' TYR . . . . . 0.596 ' CG ' HD13 ' A' ' 538' ' ' ILE . 3.3 p90 -159.44 151.99 21.4 Favored 'General case' 0 C--N 1.318 -0.782 0 N-CA-C 109.743 -0.465 . . . . 0.96 109.743 179.583 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 551' ' ' ILE . . . . . 0.645 HG23 ' N3 ' ' B' ' 5' ' ' ' U' . 55.4 mt -143.23 121.65 7.33 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 N-CA-C 107.844 -1.169 . . . . 1.1 107.844 -179.217 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 552' ' ' LEU . . . . . 0.532 HD13 ' HA ' ' A' ' 534' ' ' GLU . 20.6 mt -109.97 126.64 54.14 Favored 'General case' 0 C--N 1.315 -0.92 0 C-N-CA 119.273 -0.971 . . . . 1.17 110.152 -179.768 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 553' ' ' MET . . . . . 0.764 ' HA ' " H4'" ' B' ' 5' ' ' ' U' . 62.8 mtm -109.29 83.89 1.83 Allowed 'General case' 0 C--N 1.318 -0.763 0 N-CA-C 108.853 -0.795 . . . . 1.55 108.853 -179.615 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 554' ' ' LYS . . . . . . . . . . . . . 21.9 mmtp -53.12 -28.04 23.78 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 114.807 -1.088 . . . . 1.63 112.314 176.277 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 555' ' ' SER . . . . . . . . . . . . . 66.2 p -69.21 -44.35 72.27 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.963 0.411 . . . . 0.7 111.415 -175.316 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 556' ' ' THR . . . . . . . . . . . . . 41.1 p -99.05 2.61 46.32 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.378 -0.373 . . . . 1.14 111.829 -176.462 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 557' ' ' ASN . . . . . 0.483 ' HB3' ' O ' ' A' ' 527' ' ' LEU . 3.4 m-20 57.88 38.51 27.11 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-O 121.796 0.807 . . . . 2.03 110.304 -177.783 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 558' ' ' GLN . . . . . . . . . . . . . 79.8 mt-30 -139.12 164.47 29.7 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 114.848 -1.069 . . . . 1.24 108.717 -178.045 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 559' ' ' ALA . . . . . . . . . . . . . . . -157.74 166.51 32.57 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 121.235 0.541 . . . . 1.04 112.331 -174.741 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 560' ' ' PHE . . . . . 0.434 ' HB2' ' HB ' ' A' ' 551' ' ' ILE . 92.8 m-85 -122.12 146.65 47.02 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.494 -0.776 . . . . 0.46 110.923 176.208 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 561' ' ' LEU . . . . . 0.572 ' O ' ' HB ' ' A' ' 522' ' ' VAL . 50.4 tp -137.37 120.15 16.3 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.572 -0.74 . . . . 1.06 110.1 -178.249 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 562' ' ' GLU . . . . . 0.439 ' HB2' HD13 ' A' ' 599' ' ' LEU . 29.2 tt0 -99.72 129.83 45.88 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.442 0.639 . . . . 2.09 110.386 177.862 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 563' ' ' MET . . . . . 0.642 ' SD ' ' HA ' ' A' ' 569' ' ' ALA . 27.7 mtt -115.95 155.92 27.16 Favored 'General case' 0 C--N 1.316 -0.88 0 CA-C-N 114.999 -1.001 . . . . 1.06 109.399 -176.276 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 564' ' ' ALA . . . . . . . . . . . . . . . -72.85 -18.71 61.42 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 112.394 0.516 . . . . 1.25 112.394 -170.002 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 565' ' ' TYR . . . . . 0.438 ' CB ' ' HG2' ' A' ' 567' ' ' GLU . 95.8 m-85 -145.21 155.91 43.54 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.68 0.276 . . . . 1.39 110.478 -179.534 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 566' ' ' THR . . . . . . . . . . . . . 3.9 t -68.06 -27.82 66.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.985 -0.552 . . . . 1.24 109.804 179.521 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 567' ' ' GLU . . . . . 0.438 ' HG2' ' CB ' ' A' ' 565' ' ' TYR . 12.8 pt-20 -59.51 -32.71 70.54 Favored 'General case' 0 C--O 1.231 0.096 0 CA-C-N 115.523 -0.762 . . . . 0.89 110.895 176.827 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 568' ' ' ALA . . . . . 0.649 ' O ' ' HG3' ' A' ' 572' ' ' MET . . . -73.06 -40.91 64.67 Favored 'General case' 0 N--CA 1.45 -0.425 0 CA-C-N 115.936 -0.575 . . . . 1.08 109.85 -177.729 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 569' ' ' ALA . . . . . 0.642 ' HA ' ' SD ' ' A' ' 563' ' ' MET . . . -64.9 -45.77 84.52 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.662 -0.699 . . . . 1.0 111.066 -177.517 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 570' ' ' GLN . . . . . . . . . . . . . 20.5 pt20 -68.9 -36.68 78.32 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.036 -0.529 . . . . 1.72 110.575 -179.066 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 571' ' ' ALA . . . . . . . . . . . . . . . -63.89 -45.9 87.29 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-N 116.498 -0.319 . . . . 1.08 111.271 -178.549 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 572' ' ' MET . . . . . 0.649 ' HG3' ' O ' ' A' ' 568' ' ' ALA . 29.2 mtt -67.4 -43.36 81.49 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.523 -0.308 . . . . 1.05 110.682 -177.88 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 573' ' ' VAL . . . . . 0.594 ' O ' ' HG3' ' A' ' 577' ' ' GLN . 97.8 t -59.61 -48.04 88.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-O 120.679 0.276 . . . . 1.08 110.283 179.074 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 574' ' ' GLN . . . . . . . . . . . . . 84.5 mm-40 -62.51 -36.83 83.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.274 -0.421 . . . . 2.79 111.148 -179.833 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 575' ' ' TYR . . . . . . . . . . . . . 88.9 t80 -68.21 -52.06 38.51 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.971 -0.559 . . . . 1.09 110.548 -178.894 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 576' ' ' TYR . . . . . 0.557 ' CE1' ' HB3' ' A' ' 581' ' ' ALA . 62.7 m-85 -76.51 -13.23 60.11 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 113.14 0.793 . . . . 1.03 113.14 -176.076 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 577' ' ' GLN . . . . . 0.594 ' HG3' ' O ' ' A' ' 573' ' ' VAL . 92.6 mt-30 -68.29 -42.34 79.65 Favored 'General case' 0 C--N 1.325 -0.471 0 C-N-CA 120.363 -0.535 . . . . 2.14 109.725 171.523 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 578' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -92.28 -37.27 12.75 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.849 -0.614 . . . . 2.14 111.608 -179.865 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 579' ' ' LYS . . . . . 0.419 ' O ' ' HA ' ' A' ' 576' ' ' TYR . 56.4 mtpt -128.76 84.39 63.26 Favored Pre-proline 0 C--N 1.327 -0.404 0 N-CA-C 110.237 -0.283 . . . . 2.95 110.237 175.179 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 580' ' ' PRO . . . . . . . . . . . . . 30.6 Cg_endo -64.44 160.51 39.06 Favored 'Trans proline' 0 C--O 1.234 0.312 0 C-N-CA 122.634 2.222 . . . . 0.51 112.536 -178.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 581' ' ' ALA . . . . . 0.557 ' HB3' ' CE1' ' A' ' 576' ' ' TYR . . . -90.58 134.54 34.31 Favored 'General case' 0 CA--C 1.517 -0.297 0 N-CA-C 109.721 -0.474 . . . . 1.09 109.721 178.631 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 582' ' ' ILE . . . . . . . . . . . . . 23.0 mt -103.93 120.83 54.68 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.741 0 CA-C-N 116.357 -0.383 . . . . 1.19 111.519 -174.669 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 583' ' ' ILE . . . . . . . . . . . . . 29.2 mm -124.7 112.6 32.65 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 N-CA-C 109.473 -0.566 . . . . 1.21 109.473 173.822 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 584' ' ' ASN . . . . . . . . . . . . . 96.0 m-20 59.19 34.03 22.99 Favored 'General case' 0 N--CA 1.468 0.448 0 CA-C-O 121.404 0.621 . . . . 1.34 110.606 -178.32 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 585' ' ' GLY . . . . . . . . . . . . . . . 79.8 4.69 89.52 Favored Glycine 0 N--CA 1.447 -0.586 0 CA-C-N 115.397 -0.82 . . . . 0.51 113.25 179.298 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 586' ' ' GLU . . . . . 0.418 ' OE2' ' HB3' ' A' ' 528' ' ' PRO . 47.3 mt-10 -105.09 125.85 51.43 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.013 0.435 . . . . 1.79 110.534 178.477 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 587' ' ' LYS . . . . . . . . . . . . . 33.1 mmtp -75.66 125.8 29.77 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.427 -0.806 . . . . 2.25 111.385 -178.505 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 588' ' ' LEU . . . . . 0.41 HD11 HD12 ' A' ' 540' ' ' LEU . 41.6 mt -89.41 138.86 31.08 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.993 -0.549 . . . . 1.03 110.734 179.331 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 589' ' ' LEU . . . . . 0.442 ' HB3' ' SG ' ' A' ' 525' ' ' CYS . 58.4 tp -113.99 116.18 28.8 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.252 -0.431 . . . . 1.13 110.881 178.535 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 590' ' ' ILE . . . . . 0.445 HD11 ' CE2' ' A' ' 576' ' ' TYR . 26.6 mt -101.34 127.48 54.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 N-CA-C 109.952 -0.388 . . . . 1.08 109.952 174.801 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 591' ' ' ARG . . . . . . . . . . . . . 64.4 mtt-85 -147.39 165.11 31.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.806 0.336 . . . . 3.18 110.812 -177.156 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 592' ' ' MET . . . . . . . . . . . . . 65.1 mtt -82.26 141.17 33.17 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 109.442 -0.577 . . . . 1.13 109.442 176.413 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 593' ' ' SER . . . . . . . . . . . . . 38.5 t -79.4 135.88 36.81 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.32 0.581 . . . . 1.65 110.733 -178.517 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 594' ' ' THR . . . . . . . . . . . . . 22.9 p -89.91 -18.61 25.8 Favored 'General case' 0 C--N 1.316 -0.858 0 CA-C-N 115.043 -0.98 . . . . 1.14 111.229 -179.285 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 595' ' ' ARG . . . . . . . . . . . . . 97.8 mtt180 -103.23 -27.84 12.26 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.984 -0.553 . . . . 3.37 112.177 -169.409 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 596' ' ' TYR . . . . . . . . . . . . . 32.7 m-85 -116.86 144.13 44.87 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.129 0.49 . . . . 1.15 111.912 -177.875 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 597' ' ' LYS . . . . . 0.4 ' HD2' ' N ' ' A' ' 597' ' ' LYS . 0.6 OUTLIER -106.11 -24.25 12.41 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.486 -0.779 . . . . 2.63 111.357 178.757 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 598' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -142.68 149.11 38.42 Favored 'General case' 0 C--N 1.327 -0.402 0 C-N-CA 120.412 -0.515 . . . . 0.95 111.269 179.243 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 599' ' ' LEU . . . . . 0.483 HD21 HG11 ' A' ' 521' ' ' VAL . 59.7 mt -100.49 121.79 42.15 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.35 -0.841 . . . . 1.18 111.383 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 600' ' ' GLN . . . . . . . . . . . . . 45.0 tt0 -101.42 117.53 35.14 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.832 -0.622 . . . . 1.65 110.072 177.881 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 601' ' ' LEU . . . . . . . . . . . . . 79.2 mt -77.21 95.5 4.32 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 120.661 0.267 . . . . 1.23 110.438 177.185 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 602' ' ' LYS . . . . . . . . . . . . . 52.6 mttp -81.13 -18.61 45.83 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.231 0.539 . . . . 2.22 109.892 175.463 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 603' ' ' LYS . . . . . . . . . . . . . 75.1 mmtt -114.74 151.15 45.1 Favored Pre-proline 0 C--N 1.323 -0.572 0 CA-C-N 115.448 -0.796 . . . . 2.26 109.928 -179.46 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 604' ' ' PRO . . . . . . . . . . . . . 39.3 Cg_endo -66.56 148.63 83.82 Favored 'Trans proline' 0 C--O 1.236 0.405 0 C-N-CA 122.773 2.315 . . . . 1.26 112.028 178.782 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 605' ' ' GLY . . . . . . . . . . . . . . . -123.04 128.27 6.98 Favored Glycine 0 N--CA 1.442 -0.946 0 C-N-CA 120.839 -0.696 . . . . 1.23 112.283 -177.6 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 606' ' ' LYS . . . . . . . . . . . . . 34.5 mmtp -60.59 151.7 28.14 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 109.199 -0.667 . . . . 3.96 109.199 174.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 607' ' ' ASN . . . . . . . . . . . . . 28.5 t-20 -57.48 120.8 8.89 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.238 0.542 . . . . 1.8 110.514 177.102 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 608' ' ' VAL . . . . . 0.544 HG12 ' HB ' ' A' ' 547' ' ' VAL . 98.3 t -81.18 -20.44 11.11 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-N 115.406 -0.815 . . . . 1.07 111.443 -173.598 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 609' ' ' ALA . . . . . . . . . . . . . . . -63.7 -34.93 78.96 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.492 0.663 . . . . 1.27 110.234 175.068 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 610' ' ' ALA . . . . . . . . . . . . . . . -66.48 -27.37 67.74 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.584 -0.735 . . . . 1.14 110.301 176.153 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 611' ' ' ILE . . . . . . . . . . . . . 72.8 mt -70.75 -30.76 43.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 N-CA-C 109.501 -0.555 . . . . 1.03 109.501 177.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 612' ' ' ILE . . . . . . . . . . . . . 66.4 mt -61.25 -39.22 81.82 Favored 'Isoleucine or valine' 0 C--O 1.233 0.198 0 N-CA-C 109.583 -0.525 . . . . 1.11 109.583 171.13 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 613' ' ' GLN . . . . . . . . . . . . . 12.0 mm100 -65.12 -32.55 74.31 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.752 -0.658 . . . . 3.02 110.125 176.912 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 614' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -66.14 -37.96 86.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.568 -0.742 . . . . 1.95 110.403 176.608 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 615' ' ' ILE . . . . . 0.471 HD11 ' HA ' ' A' ' 539' ' ' ASN . 84.1 mt -68.06 -34.34 66.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 115.998 -0.547 . . . . 1.08 110.188 176.182 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 616' ' ' HIS . . . . . . . . . . . . . 62.3 m170 -63.16 -36.52 83.89 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.961 -0.563 . . . . 1.73 110.56 179.224 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 617' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -75.04 -36.54 61.86 Favored 'General case' 0 N--CA 1.448 -0.566 0 CA-C-N 116.58 -0.282 . . . . 1.77 111.444 176.109 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 618' ' ' GLN . . . . . . . . . . . . . 96.6 mt-30 -138.04 102.89 4.81 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-O 120.828 0.346 . . . . 5.45 111.922 -178.021 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 619' ' ' ARG . . . . . . . . . . . . . 6.3 mpt_? -84.17 152.05 24.5 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.165 -0.47 . . . . 8.54 110.717 172.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 620' ' ' GLU . . . . . . . . . . . . . 33.5 mm-40 54.57 79.94 0.13 Allowed 'General case' 0 CA--C 1.521 -0.167 0 O-C-N 123.755 0.659 . . . . 7.92 110.729 -178.255 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 621' ' ' ARG . . . . . . . . . . . . . 25.0 tpt180 . . . . . 0 C--O 1.247 0.97 0 CA-C-O 118.248 -0.882 . . . . 11.52 110.872 -176.774 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 1' ' ' ADN . . . . . 0.564 HN61 HG21 ' A' ' 594' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 2' ' ' ' U' . . . . . 0.549 ' H6 ' " O3'" ' B' ' 1' ' ' ADN . . . . . . . . 0 O5'--C5' 1.425 -0.918 0 C3'-C2'-C1' 99.537 -2.181 . 0.0 '__' . 2.99 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 3' ' ' ' C' . . . . . 0.482 ' H41' ' C4 ' ' B' ' 1' ' ' ADN . . . . . . . . 0 O5'--C5' 1.427 -0.821 0 C3'-C2'-C1' 100.466 -1.149 . 0.0 OUTLIER gamma 1.58 . . . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 4' ' ' ' U' . . . . . 0.401 " H5'" ' SD ' ' A' ' 553' ' ' MET . . . . . . . . 0 O5'--C5' 1.426 -0.899 0 C3'-C2'-C1' 100.808 -0.769 . 0.06 0b . 1.21 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 5' ' ' ' U' . . . . . 0.598 ' O4 ' ' HA ' ' A' ' 601' ' ' LEU . . . . . . . . 0 O5'--C5' 1.426 -0.847 0 C3'-C2'-C1' 100.313 -1.319 . 0.01 0b . 1.33 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 6' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.428 -0.726 0 C3'-C2'-C1' 100.861 -0.71 . 0.0 OUTLIER beta 4.58 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 510' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.751 0 N-CA-C 111.59 -0.604 . . . . 9.27 111.59 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 511' ' ' ALA . . . . . . . . . . . . . . . 66.7 -77.85 0.04 OUTLIER 'General case' 0 N--CA 1.466 0.338 0 C-N-CA 123.13 0.572 . . . . 6.96 111.382 -179.283 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 512' ' ' MET . . . . . . . . . . . . . 26.0 ptt? -99.79 -178.89 4.01 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 109.541 -0.54 . . . . 6.68 109.541 177.669 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 513' ' ' ALA . . . . . . . . . . . . . . . 59.19 45.19 14.7 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-O 121.36 0.6 . . . . 4.66 110.421 -178.262 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 514' ' ' GLN . . . . . . . . . . . . . 23.5 mt-30 -74.57 158.93 32.87 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.509 -0.769 . . . . 2.88 110.601 -177.913 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 515' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -84.19 54.1 2.84 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.959 -0.564 . . . . 4.64 110.685 -175.78 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 516' ' ' LYS . . . . . . . . . . . . . 67.7 mmtt -115.64 20.85 14.39 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.722 -0.672 . . . . 2.38 109.734 179.014 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 517' ' ' GLY . . . . . . . . . . . . . . . -91.34 43.14 2.8 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.933 -0.651 . . . . 2.04 112.964 -175.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 518' ' ' ALA . . . . . . . . . . . . . . . -175.1 -43.45 0.01 OUTLIER 'General case' 0 CA--C 1.511 -0.54 0 CA-C-O 122.292 1.044 . . . . 1.94 108.972 179.863 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 519' ' ' GLY . . . . . . . . . . . . . . . -136.77 148.49 19.76 Favored Glycine 0 N--CA 1.44 -1.062 0 CA-C-N 113.339 -1.755 . . . . 0.98 109.729 174.439 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 520' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -134.34 135.35 42.67 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 117.917 0.858 . . . . 2.86 110.784 178.701 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 521' ' ' VAL . . . . . 0.506 HG12 HD23 ' A' ' 599' ' ' LEU . 59.2 t -115.18 118.43 58.78 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.753 0 N-CA-C 109.113 -0.699 . . . . 1.14 109.113 169.404 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 522' ' ' VAL . . . . . 0.852 HG21 ' SD ' ' A' ' 563' ' ' MET . 21.9 t -121.59 123.5 69.62 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.976 0 N-CA-C 107.773 -1.195 . . . . 1.05 107.773 178.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 523' ' ' HIS . . . . . . . . . . . . . 48.0 t-80 -104.71 128.77 52.9 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-O 121.054 0.454 . . . . 0.57 109.928 -173.894 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 524' ' ' ILE . . . . . 0.415 HG12 HG12 ' A' ' 590' ' ' ILE . 31.6 mt -111.61 139.67 34.72 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.081 0 N-CA-C 108.352 -0.981 . . . . 1.06 108.352 178.745 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 525' ' ' CYS . . . . . 0.592 ' SG ' ' HB3' ' A' ' 589' ' ' LEU . 6.0 p -138.07 165.54 26.36 Favored 'General case' 0 C--N 1.313 -0.989 0 C-N-CA 120.448 -0.501 . . . . 1.75 111.342 -177.604 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 526' ' ' ASN . . . . . 0.492 ' HB2' ' O ' ' A' ' 525' ' ' CYS . 93.0 m-20 86.5 25.98 0.05 Allowed 'General case' 0 N--CA 1.468 0.47 0 O-C-N 124.985 1.428 . . . . 0.28 109.969 176.272 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 527' ' ' LEU . . . . . 0.522 ' HB3' ' SG ' ' A' ' 532' ' ' CYS . 79.2 mt -84.97 125.35 70.84 Favored Pre-proline 0 C--N 1.323 -0.57 0 CA-C-N 114.929 -1.032 . . . . 1.04 108.612 175.885 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 528' ' ' PRO . . . . . 0.415 ' HD3' ' HA ' ' A' ' 527' ' ' LEU . 2.6 Cg_exo -73.91 133.93 19.06 Favored 'Trans proline' 0 N--CA 1.457 -0.627 0 C-N-CA 121.509 1.473 . . . . 0.5 111.265 179.061 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 529' ' ' GLU . . . . . . . . . . . . . 66.9 tt0 -64.69 138.75 58.57 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 109.509 -0.552 . . . . 1.6 109.509 177.117 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 530' ' ' GLY . . . . . . . . . . . . . . . 87.7 3.52 80.55 Favored Glycine 0 N--CA 1.444 -0.782 0 C-N-CA 120.286 -0.959 . . . . 0.52 110.923 -173.034 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 531' ' ' SER . . . . . . . . . . . . . 48.8 m -148.04 2.74 0.69 Allowed 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.03 0.443 . . . . 1.49 110.358 -174.483 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 532' ' ' CYS . . . . . 0.522 ' SG ' ' HB3' ' A' ' 527' ' ' LEU . 35.0 m -89.08 85.72 6.74 Favored 'General case' 0 CA--C 1.513 -0.446 0 N-CA-C 108.404 -0.961 . . . . 0.25 108.404 178.712 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 533' ' ' THR . . . . . 0.561 ' O ' HG22 ' A' ' 537' ' ' VAL . 46.2 p -97.07 151.93 19.27 Favored 'General case' 0 C--N 1.314 -0.941 0 C-N-CA 119.737 -0.785 . . . . 1.1 109.015 -178.4 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 534' ' ' GLU . . . . . 0.495 ' N ' HD13 ' A' ' 552' ' ' LEU . 37.2 mt-10 -65.58 -33.27 75.51 Favored 'General case' 0 C--N 1.318 -0.764 0 N-CA-C 108.537 -0.912 . . . . 1.64 108.537 176.233 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 535' ' ' ASN . . . . . . . . . . . . . 12.6 m120 -62.39 -49.55 75.05 Favored 'General case' 0 C--O 1.213 -0.848 0 CA-C-N 114.682 -1.145 . . . . 1.86 111.644 -179.84 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 536' ' ' ASP . . . . . . . . . . . . . 18.6 m-20 -69.18 -45.67 69.4 Favored 'General case' 0 N--CA 1.47 0.568 0 CA-C-N 118.672 0.669 . . . . 0.61 111.101 -173.554 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 537' ' ' VAL . . . . . 0.561 HG22 ' O ' ' A' ' 533' ' ' THR . 35.7 t -59.77 -48.73 86.49 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 CA-C-N 114.938 -1.028 . . . . 1.03 110.055 -178.053 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 538' ' ' ILE . . . . . 0.697 HD11 ' CG ' ' A' ' 550' ' ' TYR . 41.7 mt -69.42 -34.48 62.43 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.658 0 CA-C-N 115.59 -0.732 . . . . 1.06 112.042 176.782 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 539' ' ' ASN . . . . . 0.432 ' HA ' HD11 ' A' ' 615' ' ' ILE . 9.2 m120 -59.21 -26.58 64.96 Favored 'General case' 0 CA--C 1.515 -0.37 0 O-C-N 122.239 -0.288 . . . . 0.25 110.661 178.476 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 540' ' ' LEU . . . . . . . . . . . . . 97.3 mt -75.83 -42.05 50.77 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 109.867 -0.419 . . . . 1.11 109.867 172.382 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 541' ' ' GLY . . . . . 0.477 ' HA3' HD23 ' A' ' 561' ' ' LEU . . . -63.31 -51.37 55.32 Favored Glycine 0 CA--C 1.524 0.607 0 N-CA-C 115.489 0.955 . . . . 0.19 115.489 -179.759 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 542' ' ' LEU . . . . . 0.438 ' HB2' ' CD1' ' A' ' 615' ' ' ILE . 74.1 mt -56.25 -45.82 99.87 Favored Pre-proline 0 C--N 1.319 -0.736 0 N-CA-C 114.548 1.314 . . . . 1.06 114.548 -169.339 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 543' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_exo -59.11 -25.55 78.38 Favored 'Trans proline' 0 C--N 1.349 0.574 0 C-N-CA 122.272 1.981 . . . . 0.25 114.143 -177.654 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 544' ' ' PHE . . . . . 0.471 ' HB2' ' HE2' ' A' ' 572' ' ' MET . 67.2 m-85 -98.93 -11.33 21.73 Favored 'General case' 0 C--N 1.331 -0.202 0 O-C-N 121.916 -0.49 . . . . 0.38 111.071 178.65 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 545' ' ' GLY . . . . . . . . . . . . . . . 169.78 154.47 9.29 Favored Glycine 0 N--CA 1.449 -0.444 0 C-N-CA 120.976 -0.63 . . . . 0.44 112.122 -177.298 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 546' ' ' LYS . . . . . . . . . . . . . 40.4 ttmt -66.11 131.95 47.37 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 120.754 0.311 . . . . 2.62 111.066 -178.662 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 547' ' ' VAL . . . . . 0.558 ' HB ' HG11 ' A' ' 608' ' ' VAL . 69.9 t -90.08 116.72 31.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-N 116.01 -0.541 . . . . 1.05 111.034 177.517 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 548' ' ' THR . . . . . . . . . . . . . 21.4 p -94.65 -35.18 12.3 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 112.122 0.416 . . . . 1.11 112.122 178.14 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 549' ' ' ASN . . . . . 0.462 ' HB2' ' HB3' ' A' ' 562' ' ' GLU . 4.8 m-20 -140.9 150.09 42.74 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.828 0.347 . . . . 1.49 110.402 -176.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 550' ' ' TYR . . . . . 0.697 ' CG ' HD11 ' A' ' 538' ' ' ILE . 3.7 p90 -157.62 151.01 23.63 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.98 -0.555 . . . . 0.96 109.955 179.321 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 551' ' ' ILE . . . . . 0.554 HG23 ' C6 ' ' B' ' 5' ' ' ' U' . 72.1 mt -144.48 124.05 7.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 N-CA-C 108.801 -0.814 . . . . 1.1 108.801 -175.201 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 552' ' ' LEU . . . . . 0.495 HD13 ' N ' ' A' ' 534' ' ' GLU . 26.7 mt -108.32 119.03 38.31 Favored 'General case' 0 C--N 1.319 -0.752 0 C-N-CA 120.398 -0.521 . . . . 1.17 110.718 -179.034 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 553' ' ' MET . . . . . 0.426 ' HE1' " H4'" ' B' ' 3' ' ' ' C' . 61.2 mtm -109.54 83.38 1.74 Allowed 'General case' 0 C--N 1.32 -0.7 0 C-N-CA 119.676 -0.809 . . . . 1.55 109.252 178.837 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 554' ' ' LYS . . . . . 0.406 ' HD2' ' HB2' ' A' ' 532' ' ' CYS . 23.9 mmtp -53.35 -27.16 22.09 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 114.698 -1.137 . . . . 1.63 112.262 174.669 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 555' ' ' SER . . . . . . . . . . . . . 66.5 p -68.77 -44.14 74.3 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.986 0.422 . . . . 0.7 110.977 -175.593 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 556' ' ' THR . . . . . 0.456 ' O ' ' HG3' ' A' ' 558' ' ' GLN . 40.6 p -98.68 2.32 47.03 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 112.311 0.486 . . . . 1.14 112.311 -176.869 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 557' ' ' ASN . . . . . . . . . . . . . 36.5 m-80 58.31 39.16 25.81 Favored 'General case' 0 N--CA 1.467 0.424 0 CA-C-O 121.986 0.898 . . . . 2.03 110.104 -177.001 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 558' ' ' GLN . . . . . 0.456 ' HG3' ' O ' ' A' ' 556' ' ' THR . 73.0 mt-30 -139.83 164.35 30.21 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 114.593 -1.185 . . . . 1.24 108.988 -176.385 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 559' ' ' ALA . . . . . . . . . . . . . . . -157.02 164.63 37.76 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 120.942 0.401 . . . . 1.04 111.455 -177.503 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 560' ' ' PHE . . . . . 0.477 ' HB2' ' HB ' ' A' ' 551' ' ' ILE . 91.0 m-85 -120.96 148.78 43.62 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.013 -0.539 . . . . 0.46 110.953 177.3 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 561' ' ' LEU . . . . . 0.619 ' O ' ' HB ' ' A' ' 522' ' ' VAL . 55.5 tp -143.03 118.2 10.14 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.492 -0.776 . . . . 1.06 109.897 -178.73 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 562' ' ' GLU . . . . . 0.462 ' HB3' ' HB2' ' A' ' 549' ' ' ASN . 43.7 tt0 -101.14 131.22 47.19 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.44 0.638 . . . . 2.09 111.113 174.795 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 563' ' ' MET . . . . . 0.852 ' SD ' HG21 ' A' ' 522' ' ' VAL . 2.1 mpt? -102.9 146.81 27.74 Favored 'General case' 0 C--N 1.314 -0.947 0 CA-C-N 114.806 -1.088 . . . . 1.06 108.79 175.332 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 564' ' ' ALA . . . . . . . . . . . . . . . -66.56 -15.98 63.82 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.015 -0.539 . . . . 1.25 111.48 -172.785 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 565' ' ' TYR . . . . . 0.452 ' HB3' ' HG2' ' A' ' 567' ' ' GLU . 74.8 m-85 -138.89 138.27 37.27 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 109.111 -0.699 . . . . 1.39 109.111 -178.125 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 566' ' ' THR . . . . . . . . . . . . . 15.2 t -63.84 -26.59 68.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.145 -0.48 . . . . 1.24 110.726 -177.484 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 567' ' ' GLU . . . . . 0.452 ' HG2' ' HB3' ' A' ' 565' ' ' TYR . 4.0 pt-20 -55.99 -33.71 65.11 Favored 'General case' 0 C--N 1.334 -0.107 0 CA-C-N 116.07 -0.514 . . . . 0.89 111.25 175.722 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 568' ' ' ALA . . . . . 0.654 ' O ' ' HG3' ' A' ' 572' ' ' MET . . . -73.52 -42.65 61.49 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.027 -0.533 . . . . 1.08 110.472 -176.34 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 569' ' ' ALA . . . . . 0.501 ' O ' HG22 ' A' ' 573' ' ' VAL . . . -64.95 -45.39 85.96 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.003 -0.544 . . . . 1.0 111.039 -176.816 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 570' ' ' GLN . . . . . . . . . . . . . 18.6 pt20 -68.57 -35.87 77.98 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.037 -0.529 . . . . 1.72 110.779 -179.161 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 571' ' ' ALA . . . . . . . . . . . . . . . -62.53 -41.76 99.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.858 0.361 . . . . 1.08 110.747 177.764 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 572' ' ' MET . . . . . 0.774 ' SD ' ' HE3' ' A' ' 563' ' ' MET . 52.6 mtt -65.35 -43.44 90.85 Favored 'General case' 0 CA--C 1.516 -0.349 0 CA-C-N 116.105 -0.498 . . . . 1.05 110.744 -179.51 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 573' ' ' VAL . . . . . 0.517 ' O ' ' HG2' ' A' ' 577' ' ' GLN . 57.4 t -58.71 -47.13 89.91 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.371 0 N-CA-C 109.817 -0.438 . . . . 1.08 109.817 179.663 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 574' ' ' GLN . . . . . . . . . . . . . 45.2 mt-30 -60.81 -39.84 90.49 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.949 0.404 . . . . 2.79 110.719 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 575' ' ' TYR . . . . . . . . . . . . . 76.1 t80 -69.08 -51.97 33.19 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.879 -0.601 . . . . 1.09 111.035 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 576' ' ' TYR . . . . . 0.541 ' CE2' HD13 ' A' ' 590' ' ' ILE . 70.1 m-85 -76.42 -14.21 60.07 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 113.23 0.826 . . . . 1.03 113.23 -175.586 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 577' ' ' GLN . . . . . 0.517 ' HG2' ' O ' ' A' ' 573' ' ' VAL . 14.6 mm100 -68.46 -40.96 80.87 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 108.999 -0.741 . . . . 2.14 108.999 169.64 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 578' ' ' GLU . . . . . . . . . . . . . 8.5 mm-40 -85.22 -38.94 18.36 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-N 115.574 -0.739 . . . . 2.14 110.957 -179.849 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 579' ' ' LYS . . . . . 0.47 ' O ' ' HA ' ' A' ' 576' ' ' TYR . 28.6 mtpp -137.54 95.41 11.37 Favored Pre-proline 0 C--N 1.328 -0.339 0 C-N-CA 122.433 0.293 . . . . 2.95 110.844 178.067 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 580' ' ' PRO . . . . . . . . . . . . . 42.4 Cg_endo -67.06 160.78 45.69 Favored 'Trans proline' 0 C--O 1.235 0.36 0 C-N-CA 122.329 2.019 . . . . 0.51 111.614 176.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 581' ' ' ALA . . . . . 0.428 ' HB2' ' CE1' ' A' ' 576' ' ' TYR . . . -91.15 136.17 33.27 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 110.045 -0.354 . . . . 1.09 110.045 -177.481 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 582' ' ' ILE . . . . . . . . . . . . . 60.4 mt -101.05 118.44 47.78 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.935 0 CA-C-O 120.887 0.375 . . . . 1.19 111.233 -174.318 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 583' ' ' ILE . . . . . . . . . . . . . 28.5 mm -125.62 112.4 30.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-N 116.015 -0.539 . . . . 1.21 109.763 173.699 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 584' ' ' ASN . . . . . . . . . . . . . 3.3 m-20 57.97 36.59 26.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.42 0.629 . . . . 1.34 110.266 178.236 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 585' ' ' GLY . . . . . . . . . . . . . . . 84.52 -2.29 88.1 Favored Glycine 0 N--CA 1.445 -0.706 0 CA-C-N 115.08 -0.964 . . . . 0.51 113.358 179.67 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 586' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -101.05 125.71 47.68 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 117.236 0.518 . . . . 1.79 111.232 -178.179 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 587' ' ' LYS . . . . . . . . . . . . . 96.7 mttt -81.01 114.72 20.07 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.17 -0.923 . . . . 2.25 111.423 178.181 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 588' ' ' LEU . . . . . . . . . . . . . 35.7 mt -78.59 141.59 37.95 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.396 -0.82 . . . . 1.03 111.206 -177.235 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 589' ' ' LEU . . . . . 0.592 ' HB3' ' SG ' ' A' ' 525' ' ' CYS . 62.3 tp -112.89 112.03 23.21 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.702 -0.681 . . . . 1.13 110.324 177.413 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 590' ' ' ILE . . . . . 0.541 HD13 ' CE2' ' A' ' 576' ' ' TYR . 19.4 mt -102.21 117.87 48.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 N-CA-C 109.883 -0.414 . . . . 1.08 109.883 175.569 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 591' ' ' ARG . . . . . 0.465 ' NE ' HD11 ' A' ' 589' ' ' LEU . 99.4 mtt180 -145.95 165.97 27.41 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 109.741 -0.466 . . . . 3.18 109.741 -179.677 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 592' ' ' MET . . . . . . . . . . . . . 58.9 mtt -81.43 150.76 28.2 Favored 'General case' 0 C--N 1.323 -0.587 0 N-CA-C 110.262 -0.273 . . . . 1.13 110.262 -176.382 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 593' ' ' SER . . . . . . . . . . . . . 18.7 m -94.41 135.45 35.82 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.496 0.665 . . . . 1.65 111.089 -177.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 594' ' ' THR . . . . . 0.564 HG21 HN61 ' B' ' 1' ' ' ADN . 40.2 p -90.25 -9.18 48.92 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-N 114.343 -1.299 . . . . 1.14 112.425 -171.278 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 595' ' ' ARG . . . . . . . . . . . . . 68.2 mtp180 -102.94 -29.07 11.64 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 112.565 0.58 . . . . 3.37 112.565 -171.611 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 596' ' ' TYR . . . . . . . . . . . . . 97.7 m-85 -127.23 157.46 39.74 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.249 0.547 . . . . 1.15 112.051 -172.714 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 597' ' ' LYS . . . . . 0.421 ' C ' HG23 ' A' ' 521' ' ' VAL . 49.9 mtmt -107.89 -21.95 12.64 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.148 -0.933 . . . . 2.63 111.499 176.828 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 598' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -141.84 150.15 41.24 Favored 'General case' 0 C--N 1.33 -0.246 0 C-N-CA 120.262 -0.575 . . . . 0.95 111.61 -177.198 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 599' ' ' LEU . . . . . 0.506 HD23 HG12 ' A' ' 521' ' ' VAL . 63.2 mt -93.29 125.98 38.18 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.252 -0.885 . . . . 1.18 110.963 176.854 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 600' ' ' GLN . . . . . . . . . . . . . 53.2 tt0 -95.01 110.03 21.99 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.083 -0.508 . . . . 1.65 110.249 178.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 601' ' ' LEU . . . . . 0.598 ' HA ' ' O4 ' ' B' ' 5' ' ' ' U' . 81.9 mt -75.23 88.57 2.51 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.973 -0.558 . . . . 1.23 111.214 -178.002 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 602' ' ' LYS . . . . . . . . . . . . . 60.7 mttm -76.44 -15.25 59.97 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.492 -0.776 . . . . 2.22 110.728 176.643 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 603' ' ' LYS . . . . . . . . . . . . . 74.4 mmtt -113.91 154.73 45.91 Favored Pre-proline 0 C--N 1.323 -0.574 0 CA-C-N 116.077 -0.511 . . . . 2.26 110.59 -176.642 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 604' ' ' PRO . . . . . . . . . . . . . 58.1 Cg_endo -71.49 65.05 2.93 Favored 'Trans proline' 0 C--N 1.348 0.501 0 C-N-CA 123.319 2.679 . . . . 1.26 112.756 -178.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 605' ' ' GLY . . . . . . . . . . . . . . . -48.66 113.26 1.48 Allowed Glycine 0 N--CA 1.445 -0.706 0 CA-C-N 115.704 -0.68 . . . . 1.23 112.561 177.709 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 606' ' ' LYS . . . . . . . . . . . . . 26.7 mtpp -63.76 167.37 6.02 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 115.233 -0.484 . . . . 3.96 110.925 179.41 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 607' ' ' ASN . . . . . . . . . . . . . 62.3 t30 -62.15 120.52 11.07 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 121.014 0.435 . . . . 1.8 110.627 -178.836 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 608' ' ' VAL . . . . . 0.558 HG11 ' HB ' ' A' ' 547' ' ' VAL . 58.1 t -77.57 -19.48 14.04 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-N 115.901 -0.591 . . . . 1.07 111.32 -173.892 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 609' ' ' ALA . . . . . . . . . . . . . . . -59.74 -35.78 75.26 Favored 'General case' 0 C--O 1.237 0.414 0 CA-C-O 121.179 0.514 . . . . 1.27 111.017 176.552 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 610' ' ' ALA . . . . . . . . . . . . . . . -64.02 -29.12 70.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.976 -0.556 . . . . 1.14 110.507 178.385 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 611' ' ' ILE . . . . . 0.425 ' CD1' HD13 ' A' ' 538' ' ' ILE . 73.1 mt -71.18 -30.93 42.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-N 115.714 -0.676 . . . . 1.03 109.933 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 612' ' ' ILE . . . . . 0.421 HG12 HD13 ' A' ' 542' ' ' LEU . 55.0 mt -61.73 -40.19 85.94 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.22 0 CA-C-O 121.32 0.581 . . . . 1.11 109.596 172.07 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 613' ' ' GLN . . . . . . . . . . . . . 18.2 mt-30 -63.24 -34.81 78.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.504 -0.771 . . . . 3.02 109.705 177.215 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 614' ' ' ASP . . . . . 0.505 ' O ' ' HG2' ' A' ' 618' ' ' GLN . 2.6 m-20 -65.32 -40.55 93.87 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.035 -0.984 . . . . 1.95 110.427 178.097 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 615' ' ' ILE . . . . . 0.438 ' CD1' ' HB2' ' A' ' 542' ' ' LEU . 73.9 mt -63.15 -35.28 71.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-O 121.022 0.439 . . . . 1.08 110.347 177.114 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 616' ' ' HIS . . . . . . . . . . . . . 63.4 m170 -63.93 -38.96 92.99 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.989 -0.551 . . . . 1.73 110.868 -178.791 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 617' ' ' SER . . . . . . . . . . . . . 1.3 p -75.73 -33.8 60.31 Favored 'General case' 0 N--CA 1.453 -0.288 0 CA-C-O 120.762 0.315 . . . . 1.77 111.226 176.504 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 618' ' ' GLN . . . . . 0.505 ' HG2' ' O ' ' A' ' 614' ' ' ASP . 84.8 mm-40 -70.03 -34.75 73.65 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.157 -0.474 . . . . 5.45 110.844 178.236 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 619' ' ' ARG . . . . . 0.407 ' HA ' ' NE ' ' A' ' 619' ' ' ARG . 3.1 mmp_? 59.8 64.49 1.28 Allowed 'General case' 0 C--O 1.234 0.262 0 CA-C-O 121.287 0.565 . . . . 8.54 110.222 -178.181 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 620' ' ' GLU . . . . . 0.409 ' OE2' ' HD2' ' A' ' 621' ' ' ARG . 8.6 tp10 -75.3 154.99 37.08 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.323 -0.853 . . . . 7.92 110.676 -176.829 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 621' ' ' ARG . . . . . 0.491 ' HD2' ' N ' ' A' ' 621' ' ' ARG . 0.4 OUTLIER . . . . . 0 C--O 1.251 1.165 0 CA-C-O 118.571 -0.728 . . . . 11.52 109.501 -176.822 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 1' ' ' ADN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 2' ' ' ' U' . . . . . 0.401 ' C2 ' ' SG ' ' A' ' 525' ' ' CYS . . . . . . . . 0 O5'--C5' 1.428 -0.78 0 C3'-C2'-C1' 99.373 -2.363 . 0.0 '__' . 2.99 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 3' ' ' ' C' . . . . . 0.59 " H4'" ' HE1' ' A' ' 553' ' ' MET . . . . . . . . 0 O5'--C5' 1.426 -0.848 0 O4'-C1'-N19 109.04 0.84 . 0.0 OUTLIER . 1.58 . . . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 4' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.802 0 C3'-C2'-C1' 99.442 -2.287 . 0.0 OUTLIER gamma 1.21 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 5' ' ' ' U' . . . . . 0.652 " H4'" ' HA ' ' A' ' 553' ' ' MET . . . . . . . . 0 O5'--C5' 1.426 -0.874 0 O4'-C1'-N19 109.664 1.464 . 0.0 OUTLIER gamma 1.33 . . . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 6' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.424 -1.014 0 P-O3'-C3' 120.603 0.752 . 0.0 OUTLIER . 4.58 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 510' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.725 0 N-CA-C 112.121 -0.392 . . . . 9.27 112.121 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 511' ' ' ALA . . . . . . . . . . . . . . . -67.94 -19.37 64.97 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.771 0.319 . . . . 6.96 111.251 -179.146 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 512' ' ' MET . . . . . . . . . . . . . 26.4 ptt? -81.9 -8.19 59.66 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.365 -0.379 . . . . 6.68 111.179 -179.659 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 513' ' ' ALA . . . . . 0.427 ' O ' ' HB2' ' A' ' 514' ' ' GLN . . . -119.85 117.45 28.18 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.58 -0.282 . . . . 4.66 111.128 -176.522 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 514' ' ' GLN . . . . . 0.427 ' HB2' ' O ' ' A' ' 513' ' ' ALA . 67.8 mm-40 71.45 139.72 0.05 OUTLIER 'General case' 0 N--CA 1.467 0.412 0 O-C-N 123.87 0.731 . . . . 2.88 112.123 178.742 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 515' ' ' ARG . . . . . . . . . . . . . 6.5 mmp_? -79.67 88.94 5.14 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.754 -0.657 . . . . 4.64 109.695 175.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 516' ' ' LYS . . . . . 0.429 ' HZ1' ' HB3' ' A' ' 592' ' ' MET . 18.6 mmtp -126.36 30.61 5.55 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.271 0.558 . . . . 2.38 111.181 -176.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 517' ' ' GLY . . . . . . . . . . . . . . . -107.45 124.91 7.78 Favored Glycine 0 N--CA 1.446 -0.698 0 N-CA-C 110.954 -0.858 . . . . 2.04 110.954 175.64 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 518' ' ' ALA . . . . . . . . . . . . . . . 59.09 55.97 4.16 Favored 'General case' 0 C--O 1.233 0.199 0 CA-C-O 121.466 0.651 . . . . 1.94 110.226 -175.631 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 519' ' ' GLY . . . . . . . . . . . . . . . 137.36 121.6 2.03 Favored Glycine 0 N--CA 1.448 -0.545 0 CA-C-N 115.333 -0.849 . . . . 0.98 111.288 -175.676 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 520' ' ' ARG . . . . . . . . . . . . . 37.9 mtm-85 -139.41 134.21 32.09 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 117.093 0.446 . . . . 2.86 111.137 178.866 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 521' ' ' VAL . . . . . 0.477 HG11 HD23 ' A' ' 599' ' ' LEU . 86.8 t -118.03 123.78 72.15 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 CA-C-N 115.651 -0.704 . . . . 1.14 110.484 167.426 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 522' ' ' VAL . . . . . 0.517 ' HB ' ' O ' ' A' ' 561' ' ' LEU . 21.5 t -120.32 122.97 69.62 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.863 0 N-CA-C 107.725 -1.213 . . . . 1.05 107.725 176.172 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 523' ' ' HIS . . . . . . . . . . . . . 43.5 t-80 -104.92 132.84 50.65 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 121.301 0.572 . . . . 0.57 110.785 -171.873 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 524' ' ' ILE . . . . . 0.407 HG12 HG12 ' A' ' 590' ' ' ILE . 33.1 mt -111.03 139.59 34.21 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.824 0 CA-C-N 115.233 -0.894 . . . . 1.06 108.919 179.119 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 525' ' ' CYS . . . . . 0.427 ' O ' ' HB2' ' A' ' 526' ' ' ASN . 38.4 t -134.12 160.43 37.82 Favored 'General case' 0 C--N 1.314 -0.95 0 CA-C-N 116.656 -0.247 . . . . 1.75 110.594 -177.692 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 526' ' ' ASN . . . . . 0.427 ' HB2' ' O ' ' A' ' 525' ' ' CYS . 84.0 m-20 83.92 29.61 0.07 Allowed 'General case' 0 N--CA 1.468 0.466 0 O-C-N 124.599 1.187 . . . . 0.28 110.613 173.363 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 527' ' ' LEU . . . . . 0.551 ' HB3' ' SG ' ' A' ' 532' ' ' CYS . 80.9 mt -88.01 124.45 66.89 Favored Pre-proline 0 C--N 1.323 -0.585 0 N-CA-C 108.291 -1.003 . . . . 1.04 108.291 174.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 528' ' ' PRO . . . . . 0.43 ' HD3' ' HA ' ' A' ' 527' ' ' LEU . 2.8 Cg_exo -74.44 133.7 17.83 Favored 'Trans proline' 0 N--CA 1.459 -0.523 0 C-N-CA 121.674 1.583 . . . . 0.5 112.145 -178.405 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 529' ' ' GLU . . . . . . . . . . . . . 45.4 tt0 -64.96 130.93 45.18 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.5 -0.555 . . . . 1.6 109.5 176.794 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 530' ' ' GLY . . . . . . . . . . . . . . . 94.48 2.76 63.33 Favored Glycine 0 N--CA 1.447 -0.62 0 C-N-CA 120.497 -0.859 . . . . 0.52 110.965 -173.208 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 531' ' ' SER . . . . . . . . . . . . . 28.5 t -144.46 2.72 1.11 Allowed 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.515 0.674 . . . . 1.49 109.484 -178.15 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 532' ' ' CYS . . . . . 0.551 ' SG ' ' HB3' ' A' ' 527' ' ' LEU . 84.1 m -89.82 87.12 6.84 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 108.915 -0.772 . . . . 0.25 108.915 -178.5 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 533' ' ' THR . . . . . 0.454 ' O ' HG23 ' A' ' 537' ' ' VAL . 26.5 p -101.63 152.38 20.89 Favored 'General case' 0 C--N 1.318 -0.77 0 N-CA-C 108.705 -0.85 . . . . 1.1 108.705 -179.709 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 534' ' ' GLU . . . . . 0.52 ' HA ' HD11 ' A' ' 552' ' ' LEU . 1.7 mp0 -63.74 -34.15 77.24 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 121.329 0.585 . . . . 1.64 109.491 177.673 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 535' ' ' ASN . . . . . . . . . . . . . 4.9 t30 -63.25 -48.09 79.7 Favored 'General case' 0 N--CA 1.445 -0.69 0 CA-C-N 114.932 -1.031 . . . . 1.86 111.161 -177.247 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 536' ' ' ASP . . . . . . . . . . . . . 34.1 m-20 -69.71 -45.65 67.76 Favored 'General case' 0 N--CA 1.476 0.839 0 CA-C-O 121.536 0.684 . . . . 0.61 111.348 -173.391 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 537' ' ' VAL . . . . . 0.454 HG23 ' O ' ' A' ' 533' ' ' THR . 38.4 t -59.62 -45.67 93.96 Favored 'Isoleucine or valine' 0 C--O 1.242 0.66 0 CA-C-N 114.916 -1.038 . . . . 1.03 109.631 -179.056 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 538' ' ' ILE . . . . . 0.506 HG21 HG21 ' A' ' 547' ' ' VAL . 62.0 mt -67.84 -33.45 61.61 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 CA-C-N 115.25 -0.886 . . . . 1.06 111.23 175.338 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 539' ' ' ASN . . . . . 0.45 ' HA ' HD11 ' A' ' 615' ' ' ILE . 11.9 m120 -58.02 -28.42 64.44 Favored 'General case' 0 CA--C 1.512 -0.503 0 O-C-N 122.372 -0.205 . . . . 0.25 110.571 178.015 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 540' ' ' LEU . . . . . 0.438 HD23 ' OH ' ' A' ' 576' ' ' TYR . 93.8 mt -76.32 -41.41 48.59 Favored 'General case' 0 C--N 1.323 -0.575 0 C-N-CA 120.607 -0.437 . . . . 1.11 110.177 174.152 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 541' ' ' GLY . . . . . 0.525 ' O ' ' HE3' ' A' ' 572' ' ' MET . . . -60.96 -51.45 58.52 Favored Glycine 0 CA--C 1.522 0.514 0 N-CA-C 115.443 0.937 . . . . 0.19 115.443 179.839 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 542' ' ' LEU . . . . . 0.51 ' HA ' ' O ' ' A' ' 545' ' ' GLY . 81.8 mt -60.26 -43.74 94.31 Favored Pre-proline 0 CA--C 1.542 0.637 0 N-CA-C 115.038 1.495 . . . . 1.06 115.038 -168.084 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 543' ' ' PRO . . . . . . . . . . . . . 58.6 Cg_exo -58.04 -27.22 78.66 Favored 'Trans proline' 0 C--N 1.35 0.614 0 C-N-CA 122.169 1.913 . . . . 0.25 113.852 -177.906 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 544' ' ' PHE . . . . . 0.52 ' HB2' ' CE ' ' A' ' 572' ' ' MET . 81.8 m-85 -100.64 -16.64 17.36 Favored 'General case' 0 C--N 1.33 -0.242 0 O-C-N 122.043 -0.411 . . . . 0.38 111.109 178.502 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 545' ' ' GLY . . . . . 0.51 ' O ' ' HA ' ' A' ' 542' ' ' LEU . . . 179.3 156.19 16.86 Favored Glycine 0 N--CA 1.449 -0.479 0 C-N-CA 120.541 -0.838 . . . . 0.44 112.486 179.016 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 546' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -67.08 132.03 47.02 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 120.915 0.388 . . . . 2.62 110.815 -178.647 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 547' ' ' VAL . . . . . 0.506 HG21 HG21 ' A' ' 538' ' ' ILE . 70.9 t -87.7 115.28 27.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-N 116.038 -0.528 . . . . 1.05 110.34 178.743 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 548' ' ' THR . . . . . . . . . . . . . 20.6 p -98.33 -33.86 10.9 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.978 -0.556 . . . . 1.11 111.648 178.47 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 549' ' ' ASN . . . . . 0.403 ' HB2' ' CD ' ' A' ' 562' ' ' GLU . 90.3 m-20 -141.84 157.34 45.11 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.18 0.514 . . . . 1.49 110.635 176.189 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 550' ' ' TYR . . . . . . . . . . . . . 3.3 p90 -162.22 151.53 15.75 Favored 'General case' 0 C--N 1.317 -0.832 0 CA-C-N 115.427 -0.806 . . . . 0.96 109.035 179.284 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 551' ' ' ILE . . . . . 0.474 HG22 ' N3 ' ' B' ' 5' ' ' ' U' . 35.9 mt -142.84 122.43 9.25 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 N-CA-C 108.081 -1.081 . . . . 1.1 108.081 179.292 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 552' ' ' LEU . . . . . 0.52 HD11 ' HA ' ' A' ' 534' ' ' GLU . 20.5 mt -110.33 127.29 54.96 Favored 'General case' 0 C--N 1.312 -1.044 0 C-N-CA 119.194 -1.002 . . . . 1.17 110.086 -178.84 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 553' ' ' MET . . . . . 0.652 ' HA ' " H4'" ' B' ' 5' ' ' ' U' . 65.5 mtm -108.84 83.74 1.81 Allowed 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 108.505 -0.924 . . . . 1.55 108.505 178.49 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 554' ' ' LYS . . . . . 0.476 ' HD2' ' HB2' ' A' ' 532' ' ' CYS . 16.1 mmtp -53.25 -29.06 30.7 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 114.997 -1.002 . . . . 1.63 111.938 177.124 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 555' ' ' SER . . . . . . . . . . . . . 67.2 p -70.8 -40.89 72.25 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 120.695 0.283 . . . . 0.7 111.739 -174.818 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 556' ' ' THR . . . . . . . . . . . . . 42.1 p -98.5 3.99 48.25 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 112.064 0.394 . . . . 1.14 112.064 -176.168 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 557' ' ' ASN . . . . . . . . . . . . . 30.1 m-80 58.17 38.43 26.33 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-O 121.392 0.615 . . . . 2.03 110.555 -177.163 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 558' ' ' GLN . . . . . . . . . . . . . 77.8 mt-30 -143.3 164.35 30.48 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.554 -0.748 . . . . 1.24 109.665 -176.516 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 559' ' ' ALA . . . . . . . . . . . . . . . -157.44 166.22 33.59 Favored 'General case' 0 N--CA 1.451 -0.421 0 CA-C-O 121.594 0.711 . . . . 1.04 112.882 -176.255 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 560' ' ' PHE . . . . . . . . . . . . . 97.7 m-85 -120.61 139.18 53.35 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 114.902 -1.044 . . . . 0.46 109.838 175.446 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 561' ' ' LEU . . . . . 0.517 ' O ' ' HB ' ' A' ' 522' ' ' VAL . 45.7 tp -134.33 119.47 18.71 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 120.988 0.423 . . . . 1.06 110.313 -179.724 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 562' ' ' GLU . . . . . 0.49 ' HB2' HD11 ' A' ' 599' ' ' LEU . 34.5 tt0 -100.55 122.57 43.47 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.478 0.656 . . . . 2.09 111.021 -179.327 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 563' ' ' MET . . . . . 0.512 ' SD ' HG22 ' A' ' 522' ' ' VAL . 0.0 OUTLIER -102.49 157.76 16.69 Favored 'General case' 0 C--N 1.317 -0.821 0 CA-C-N 114.865 -1.061 . . . . 1.06 108.781 177.654 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 564' ' ' ALA . . . . . . . . . . . . . . . -76.91 -16.32 59.42 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 111.869 0.322 . . . . 1.25 111.869 -172.542 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 565' ' ' TYR . . . . . 0.406 ' HB3' ' HG2' ' A' ' 567' ' ' GLU . 77.8 m-85 -141.13 150.06 42.34 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.018 0.437 . . . . 1.39 110.509 178.102 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 566' ' ' THR . . . . . . . . . . . . . 12.2 t -67.91 -26.93 66.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.687 -0.688 . . . . 1.24 110.363 -179.74 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 567' ' ' GLU . . . . . 0.48 ' HA ' HE21 ' A' ' 570' ' ' GLN . 10.9 pt-20 -57.04 -32.57 66.33 Favored 'General case' 0 CA--C 1.524 -0.054 0 CA-C-N 115.951 -0.568 . . . . 0.89 110.703 175.39 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 568' ' ' ALA . . . . . 0.75 ' O ' ' HG2' ' A' ' 572' ' ' MET . . . -73.61 -42.38 61.58 Favored 'General case' 0 N--CA 1.449 -0.524 0 CA-C-N 115.678 -0.692 . . . . 1.08 109.852 -179.6 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 569' ' ' ALA . . . . . 0.447 ' HA ' ' SD ' ' A' ' 563' ' ' MET . . . -63.55 -45.25 91.4 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.771 -0.649 . . . . 1.0 111.526 -175.282 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 570' ' ' GLN . . . . . 0.494 ' O ' ' HG2' ' A' ' 574' ' ' GLN . 25.5 pt20 -68.83 -35.24 76.72 Favored 'General case' 0 C--N 1.328 -0.369 0 C-N-CA 120.657 -0.417 . . . . 1.72 110.365 178.522 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 571' ' ' ALA . . . . . . . . . . . . . . . -61.54 -38.2 86.57 Favored 'General case' 0 N--CA 1.454 -0.262 0 CA-C-N 116.391 -0.368 . . . . 1.08 110.322 177.525 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 572' ' ' MET . . . . . 0.75 ' HG2' ' O ' ' A' ' 568' ' ' ALA . 17.7 mmt -60.08 -49.76 76.39 Favored 'General case' 0 CA--C 1.517 -0.305 0 CA-C-N 116.171 -0.468 . . . . 1.05 109.775 176.339 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 573' ' ' VAL . . . . . 0.46 HG23 ' HA ' ' A' ' 591' ' ' ARG . 58.5 t -63.57 -49.28 83.12 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.376 0 CA-C-N 115.506 -0.77 . . . . 1.08 110.193 -175.735 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 574' ' ' GLN . . . . . 0.494 ' HG2' ' O ' ' A' ' 570' ' ' GLN . 16.2 mm100 -62.26 -37.97 87.5 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.369 -0.378 . . . . 2.79 110.608 -178.027 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 575' ' ' TYR . . . . . . . . . . . . . 62.5 t80 -69.79 -54.44 13.64 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.151 -0.477 . . . . 1.09 111.257 -178.177 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 576' ' ' TYR . . . . . 0.559 ' CE2' HD11 ' A' ' 590' ' ' ILE . 65.3 m-85 -77.94 -14.1 59.65 Favored 'General case' 0 N--CA 1.465 0.295 0 N-CA-C 113.474 0.916 . . . . 1.03 113.474 -173.829 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 577' ' ' GLN . . . . . 0.441 ' HG2' ' O ' ' A' ' 573' ' ' VAL . 13.9 mm100 -67.28 -42.83 83.14 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 109.439 -0.578 . . . . 2.14 109.439 172.125 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 578' ' ' GLU . . . . . . . . . . . . . 31.1 mm-40 -91.5 -38.17 12.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.812 -0.631 . . . . 2.14 111.495 -179.745 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 579' ' ' LYS . . . . . 0.42 ' O ' ' HA ' ' A' ' 576' ' ' TYR . 62.6 mttp -128.16 85.36 60.72 Favored Pre-proline 0 C--N 1.329 -0.301 0 N-CA-C 110.043 -0.355 . . . . 2.95 110.043 177.476 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 580' ' ' PRO . . . . . . . . . . . . . 37.6 Cg_endo -66.11 159.34 50.01 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.375 2.05 . . . . 0.51 112.601 -177.836 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 581' ' ' ALA . . . . . 0.528 ' HB2' ' CE1' ' A' ' 576' ' ' TYR . . . -92.11 134.89 34.43 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 109.632 -0.507 . . . . 1.09 109.632 177.942 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 582' ' ' ILE . . . . . . . . . . . . . 67.8 mt -104.02 120.37 54.13 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.704 0 CA-C-O 120.791 0.329 . . . . 1.19 111.594 -175.214 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 583' ' ' ILE . . . . . 0.417 ' CG1' HD12 ' A' ' 588' ' ' LEU . 28.1 mm -125.56 115.11 42.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 N-CA-C 109.618 -0.512 . . . . 1.21 109.618 173.844 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 584' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 58.47 33.55 23.21 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.286 0.565 . . . . 1.34 110.197 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 585' ' ' GLY . . . . . . . . . . . . . . . 85.57 -0.16 88.18 Favored Glycine 0 N--CA 1.446 -0.666 0 CA-C-N 115.457 -0.792 . . . . 0.51 113.534 178.697 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 586' ' ' GLU . . . . . . . . . . . . . 76.3 mm-40 -101.48 126.79 48.32 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 117.412 0.606 . . . . 1.79 111.262 -179.2 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 587' ' ' LYS . . . . . . . . . . . . . 58.9 mttp -73.98 113.77 11.54 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.446 -0.797 . . . . 2.25 110.595 174.443 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 588' ' ' LEU . . . . . 0.428 HD11 HD11 ' A' ' 540' ' ' LEU . 45.3 mt -75.86 141.03 42.52 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 116.018 -0.537 . . . . 1.03 110.76 -178.596 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 589' ' ' LEU . . . . . 0.457 HD13 ' CZ ' ' A' ' 591' ' ' ARG . 35.5 tp -112.23 111.08 21.71 Favored 'General case' 0 C--N 1.317 -0.84 0 CA-C-N 115.765 -0.652 . . . . 1.13 110.467 -179.937 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 590' ' ' ILE . . . . . 0.559 HD11 ' CE2' ' A' ' 576' ' ' TYR . 17.4 mt -107.21 118.58 55.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 N-CA-C 110.193 -0.299 . . . . 1.08 110.193 175.862 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 591' ' ' ARG . . . . . 0.46 ' HA ' HG23 ' A' ' 573' ' ' VAL . 97.4 mtt180 -145.23 166.45 25.45 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 109.763 -0.458 . . . . 3.18 109.763 -178.405 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 592' ' ' MET . . . . . 0.429 ' HB3' ' HZ1' ' A' ' 516' ' ' LYS . 39.5 mtt -76.92 151.24 35.84 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 120.717 0.294 . . . . 1.13 110.639 -177.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 593' ' ' SER . . . . . . . . . . . . . 45.3 t -87.14 134.86 33.47 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.264 0.554 . . . . 1.65 110.872 -179.616 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 594' ' ' THR . . . . . . . . . . . . . 19.3 p -90.83 -16.27 28.56 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 114.932 -1.031 . . . . 1.14 110.927 177.28 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 595' ' ' ARG . . . . . . . . . . . . . 98.2 mtt180 -102.9 -28.61 11.94 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 112.697 0.629 . . . . 3.37 112.697 -169.118 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 596' ' ' TYR . . . . . . . . . . . . . 96.9 m-85 -127.82 144.02 51.1 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.79 0.328 . . . . 1.15 111.778 -176.738 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 597' ' ' LYS . . . . . 0.404 ' HD2' ' N ' ' A' ' 597' ' ' LYS . 9.0 mptt -109.05 -9.95 15.04 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.065 -0.516 . . . . 2.63 111.552 175.604 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 598' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -143.84 149.51 37.08 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 120.488 -0.485 . . . . 0.95 110.808 -178.466 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 599' ' ' LEU . . . . . 0.49 HD11 ' HB2' ' A' ' 562' ' ' GLU . 33.3 mt -101.02 123.03 44.58 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.789 -0.641 . . . . 1.18 111.45 176.289 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 600' ' ' GLN . . . . . . . . . . . . . 50.3 tt0 -102.56 110.65 22.66 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.58 -0.736 . . . . 1.65 109.813 176.044 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 601' ' ' LEU . . . . . . . . . . . . . 29.7 mt -77.53 104.33 7.99 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.528 -0.306 . . . . 1.23 111.36 -178.336 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 602' ' ' LYS . . . . . . . . . . . . . 33.8 mtmt -82.57 -20.06 37.27 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 109.409 -0.589 . . . . 2.22 109.409 172.079 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 603' ' ' LYS . . . . . . . . . . . . . 34.4 mmtp -116.27 145.15 34.41 Favored Pre-proline 0 C--N 1.326 -0.441 0 CA-C-N 115.357 -0.838 . . . . 2.26 110.049 -178.694 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 604' ' ' PRO . . . . . . . . . . . . . 19.8 Cg_endo -62.16 150.57 86.26 Favored 'Trans proline' 0 C--N 1.342 0.232 0 C-N-CA 122.897 2.398 . . . . 1.26 112.267 178.755 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 605' ' ' GLY . . . . . . . . . . . . . . . -110.44 -47.19 0.81 Allowed Glycine 0 N--CA 1.445 -0.757 0 CA-C-N 115.575 -0.739 . . . . 1.23 112.04 -176.856 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 606' ' ' LYS . . . . . . . . . . . . . 27.3 mtmm 76.29 -176.13 0.12 Allowed 'General case' 0 N--CA 1.469 0.48 0 CA-C-N 114.835 -0.682 . . . . 3.96 109.502 -177.308 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 607' ' ' ASN . . . . . . . . . . . . . 47.0 t30 -62.28 121.23 12.63 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.026 0.441 . . . . 1.8 111.425 178.169 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 608' ' ' VAL . . . . . 0.504 HG13 ' HB ' ' A' ' 547' ' ' VAL . 56.6 t -95.36 -22.48 5.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 115.849 -0.614 . . . . 1.07 110.359 178.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 609' ' ' ALA . . . . . . . . . . . . . . . -58.35 -29.07 65.68 Favored 'General case' 0 C--O 1.236 0.394 0 CA-C-O 121.381 0.61 . . . . 1.27 111.229 176.641 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 610' ' ' ALA . . . . . . . . . . . . . . . -64.16 -28.2 69.59 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.968 -0.56 . . . . 1.14 110.192 177.351 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 611' ' ' ILE . . . . . 0.439 ' O ' HG13 ' A' ' 615' ' ' ILE . 74.6 mt -71.37 -29.71 36.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 115.72 -0.673 . . . . 1.03 109.894 177.856 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 612' ' ' ILE . . . . . 0.433 ' CG1' HD13 ' A' ' 542' ' ' LEU . 79.1 mt -60.82 -44.3 97.31 Favored 'Isoleucine or valine' 0 C--O 1.234 0.273 0 CA-C-O 121.284 0.564 . . . . 1.11 109.681 173.538 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 613' ' ' GLN . . . . . . . . . . . . . 74.5 mt-30 -65.67 -31.23 72.13 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.562 -0.744 . . . . 3.02 110.186 177.48 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 614' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -65.8 -44.36 85.91 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.249 -0.887 . . . . 1.95 109.824 178.013 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 615' ' ' ILE . . . . . 0.45 HD11 ' HA ' ' A' ' 539' ' ' ASN . 85.9 mt -59.43 -46.14 92.99 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-N 115.739 -0.664 . . . . 1.08 110.488 176.878 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 616' ' ' HIS . . . . . . . . . . . . . 27.8 m-70 -64.01 -27.85 69.4 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.267 -0.424 . . . . 1.73 111.569 -179.565 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 617' ' ' SER . . . . . . . . . . . . . 45.9 m -73.62 -35.71 65.36 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 120.917 0.389 . . . . 1.77 110.633 178.196 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 618' ' ' GLN . . . . . . . . . . . . . 51.1 mt-30 -83.93 -33.81 24.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.148 -0.478 . . . . 5.45 111.027 179.521 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 619' ' ' ARG . . . . . . . . . . . . . 60.7 mtt180 62.93 63.49 0.95 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 121.399 0.619 . . . . 8.54 109.711 -175.478 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 620' ' ' GLU . . . . . . . . . . . . . 21.1 mm-40 -88.64 68.15 8.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.458 -0.792 . . . . 7.92 111.64 -174.158 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 621' ' ' ARG . . . . . . . . . . . . . 66.9 ttt180 . . . . . 0 C--O 1.25 1.128 0 O-C-N 123.71 0.631 . . . . 11.52 111.592 174.607 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 1' ' ' ADN . . . . . 0.476 HO2' " C5'" ' B' ' 2' ' ' ' U' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 2' ' ' ' U' . . . . . 0.503 ' C2 ' ' SG ' ' A' ' 525' ' ' CYS . . . . . . . . 0 O5'--C5' 1.423 -1.049 0 C3'-C2'-C1' 99.593 -2.118 . 0.0 '__' . 2.99 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 3' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.801 0 C3'-C2'-C1' 100.54 -1.067 . 0.0 OUTLIER '7D dist 2[' 1.58 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 4' ' ' ' U' . . . . . 0.49 ' O2 ' ' HD3' ' A' ' 602' ' ' LYS . . . . . . . . 0 O5'--C5' 1.427 -0.83 0 C3'-C2'-C1' 100.263 -1.375 . 0.0 OUTLIER gamma 1.21 . . . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 5' ' ' ' U' . . . . . 0.62 ' N3 ' HG21 ' A' ' 551' ' ' ILE . . . . . . . . 0 O5'--C5' 1.424 -0.987 0 C3'-C2'-C1' 99.342 -2.397 . 0.529 4b . 1.33 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 6' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.911 0 C3'-C2'-C1' 100.236 -1.405 . 0.0 OUTLIER . 4.58 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 510' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.743 0 N-CA-C 111.83 -0.508 . . . . 9.27 111.83 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 511' ' ' ALA . . . . . . . . . . . . . . . -82.72 57.61 3.87 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.386 0.612 . . . . 6.96 110.675 -179.577 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 512' ' ' MET . . . . . . . . . . . . . 50.3 ttm -168.38 142.88 3.37 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.338 -0.846 . . . . 6.68 108.938 -179.773 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 513' ' ' ALA . . . . . . . . . . . . . . . 55.9 57.86 4.85 Favored 'General case' 0 C--O 1.232 0.177 0 CA-C-O 121.252 0.548 . . . . 4.66 110.037 -176.722 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 514' ' ' GLN . . . . . . . . . . . . . 2.0 mp0 -64.93 133.27 51.44 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.365 -0.834 . . . . 2.88 110.908 -176.655 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 515' ' ' ARG . . . . . 0.456 ' O ' ' HD3' ' A' ' 516' ' ' LYS . 17.7 mtp180 -72.65 120.41 18.23 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.179 -0.464 . . . . 4.64 110.445 177.609 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 516' ' ' LYS . . . . . 0.456 ' HD3' ' O ' ' A' ' 515' ' ' ARG . 66.8 mmtt -127.03 44.28 2.94 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.082 0.468 . . . . 2.38 109.947 179.032 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 517' ' ' GLY . . . . . . . . . . . . . . . -88.01 -68.7 1.29 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.866 -0.683 . . . . 2.04 112.233 -179.324 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 518' ' ' ALA . . . . . . . . . . . . . . . -93.86 59.33 2.76 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.387 0.613 . . . . 1.94 110.045 177.607 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 519' ' ' GLY . . . . . . . . . . . . . . . 134.45 130.67 3.02 Favored Glycine 0 N--CA 1.444 -0.793 0 N-CA-C 111.075 -0.81 . . . . 0.98 111.075 -175.018 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 520' ' ' ARG . . . . . 0.537 ' NH2' ' HB2' ' A' ' 563' ' ' MET . 20.0 mtm105 -132.95 136.59 46.19 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 117.381 0.591 . . . . 2.86 110.851 175.445 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 521' ' ' VAL . . . . . 0.543 HG12 HD22 ' A' ' 599' ' ' LEU . 99.7 t -116.39 122.75 70.44 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 CA-C-N 115.789 -0.641 . . . . 1.14 110.738 172.043 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 522' ' ' VAL . . . . . 0.551 ' HB ' ' O ' ' A' ' 561' ' ' LEU . 28.8 t -118.93 121.09 65.98 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.749 0 N-CA-C 107.216 -1.402 . . . . 1.05 107.216 172.639 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 523' ' ' HIS . . . . . 0.428 ' HE1' " O2'" ' B' ' 2' ' ' ' U' . 41.1 t-80 -106.37 132.72 52.07 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-O 121.178 0.513 . . . . 0.57 110.572 -171.902 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 524' ' ' ILE . . . . . . . . . . . . . 37.3 mt -111.19 139.33 35.65 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.915 0 N-CA-C 108.63 -0.878 . . . . 1.06 108.63 178.079 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 525' ' ' CYS . . . . . 0.503 ' SG ' ' C2 ' ' B' ' 2' ' ' ' U' . 46.8 t -134.41 162.03 33.36 Favored 'General case' 0 C--N 1.313 -1.007 0 C-N-CA 120.907 -0.317 . . . . 1.75 110.771 -176.475 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 526' ' ' ASN . . . . . 0.474 ' HB2' ' O ' ' A' ' 525' ' ' CYS . 88.1 m-20 85.91 28.19 0.05 OUTLIER 'General case' 0 N--CA 1.467 0.405 0 O-C-N 124.587 1.179 . . . . 0.28 110.586 172.587 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 527' ' ' LEU . . . . . . . . . . . . . 81.3 mt -89.43 123.88 65.77 Favored Pre-proline 0 C--N 1.323 -0.586 0 N-CA-C 108.621 -0.881 . . . . 1.04 108.621 177.201 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 528' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -73.19 134.14 20.62 Favored 'Trans proline' 0 N--CA 1.454 -0.8 0 C-N-CA 121.321 1.348 . . . . 0.5 111.934 -176.917 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 529' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -64.25 131.01 46.11 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 109.441 -0.577 . . . . 1.6 109.441 175.131 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 530' ' ' GLY . . . . . . . . . . . . . . . 92.87 3.62 65.84 Favored Glycine 0 N--CA 1.445 -0.747 0 N-CA-C 110.473 -1.051 . . . . 0.52 110.473 -171.873 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 531' ' ' SER . . . . . . . . . . . . . 49.3 m -148.9 7.33 0.72 Allowed 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.188 -0.506 . . . . 1.49 110.305 -177.112 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 532' ' ' CYS . . . . . 0.423 ' HB2' ' HG3' ' A' ' 554' ' ' LYS . 63.2 m -90.77 82.93 5.69 Favored 'General case' 0 CA--C 1.512 -0.498 0 N-CA-C 108.896 -0.779 . . . . 0.25 108.896 178.492 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 533' ' ' THR . . . . . 0.478 ' O ' HG22 ' A' ' 537' ' ' VAL . 27.9 p -96.75 151.81 19.28 Favored 'General case' 0 N--CA 1.442 -0.847 0 N-CA-C 108.7 -0.852 . . . . 1.1 108.7 -178.479 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 534' ' ' GLU . . . . . 0.481 ' HA ' HD11 ' A' ' 552' ' ' LEU . 45.7 mt-10 -65.97 -34.41 78.05 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-O 121.607 0.718 . . . . 1.64 109.181 177.437 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 535' ' ' ASN . . . . . . . . . . . . . 3.9 t30 -65.05 -48.71 72.86 Favored 'General case' 0 N--CA 1.445 -0.702 0 CA-C-N 114.531 -1.213 . . . . 1.86 111.347 -175.728 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 536' ' ' ASP . . . . . . . . . . . . . 28.6 m-20 -69.53 -43.98 71.9 Favored 'General case' 0 N--CA 1.476 0.834 0 CA-C-O 121.399 0.619 . . . . 0.61 111.341 -173.574 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 537' ' ' VAL . . . . . 0.478 HG22 ' O ' ' A' ' 533' ' ' THR . 49.8 t -59.69 -46.93 92.88 Favored 'Isoleucine or valine' 0 C--O 1.24 0.604 0 CA-C-N 115.088 -0.96 . . . . 1.03 110.043 -179.26 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 538' ' ' ILE . . . . . 0.517 HD11 ' CG ' ' A' ' 550' ' ' TYR . 51.6 mt -68.11 -33.0 58.44 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.8 0 CA-C-N 115.274 -0.875 . . . . 1.06 111.301 175.384 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 539' ' ' ASN . . . . . 0.465 ' HA ' HD11 ' A' ' 615' ' ' ILE . 11.5 m120 -57.81 -26.64 62.24 Favored 'General case' 0 N--CA 1.466 0.365 0 C-N-CA 121.023 -0.271 . . . . 0.25 110.508 176.223 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 540' ' ' LEU . . . . . 0.423 HD13 HD12 ' A' ' 588' ' ' LEU . 84.5 mt -75.97 -42.79 47.31 Favored 'General case' 0 C--N 1.323 -0.585 0 C-N-CA 120.453 -0.499 . . . . 1.11 110.013 173.568 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 541' ' ' GLY . . . . . . . . . . . . . . . -65.17 -50.8 55.12 Favored Glycine 0 CA--C 1.526 0.749 0 N-CA-C 115.834 1.094 . . . . 0.19 115.834 -178.053 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 542' ' ' LEU . . . . . 0.578 ' HB2' ' CD1' ' A' ' 615' ' ' ILE . 59.2 mt -63.22 -40.91 65.2 Favored Pre-proline 0 C--N 1.32 -0.687 0 N-CA-C 115.398 1.629 . . . . 1.06 115.398 -168.137 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 543' ' ' PRO . . . . . 0.493 ' HG3' HG23 ' A' ' 615' ' ' ILE . 40.7 Cg_exo -63.4 -26.15 70.88 Favored 'Trans proline' 0 CA--C 1.531 0.334 0 C-N-CA 121.518 1.479 . . . . 0.25 113.33 -178.879 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 544' ' ' PHE . . . . . 0.459 ' HB2' ' HE2' ' A' ' 572' ' ' MET . 87.5 m-85 -101.28 -15.83 17.15 Favored 'General case' 0 C--N 1.331 -0.201 0 C-N-CA 120.667 -0.413 . . . . 0.38 111.643 178.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 545' ' ' GLY . . . . . 0.508 ' O ' ' HA ' ' A' ' 542' ' ' LEU . . . -170.24 179.94 42.13 Favored Glycine 0 C--O 1.224 -0.494 0 C-N-CA 120.342 -0.933 . . . . 0.44 112.357 -176.242 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 546' ' ' LYS . . . . . . . . . . . . . 24.0 ttmm -94.82 122.43 37.44 Favored 'General case' 0 C--N 1.318 -0.783 0 N-CA-C 109.525 -0.546 . . . . 2.62 109.525 -178.034 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 547' ' ' VAL . . . . . 0.557 ' HB ' HG11 ' A' ' 608' ' ' VAL . 81.1 t -88.75 114.94 27.83 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-O 121.001 0.429 . . . . 1.05 110.757 177.62 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 548' ' ' THR . . . . . . . . . . . . . 23.8 p -101.34 -35.53 9.2 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.095 -0.502 . . . . 1.11 112.046 176.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 549' ' ' ASN . . . . . 0.406 ' HB2' ' HB3' ' A' ' 562' ' ' GLU . 6.4 m-20 -140.37 152.01 45.43 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.016 0.436 . . . . 1.49 109.956 -178.645 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 550' ' ' TYR . . . . . 0.517 ' CG ' HD11 ' A' ' 538' ' ' ILE . 7.3 p90 -161.13 151.11 17.31 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.685 -0.689 . . . . 0.96 109.684 -177.439 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 551' ' ' ILE . . . . . 0.62 HG21 ' N3 ' ' B' ' 5' ' ' ' U' . 64.5 mt -144.0 126.47 11.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 N-CA-C 108.346 -0.983 . . . . 1.1 108.346 -175.49 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 552' ' ' LEU . . . . . 0.481 HD11 ' HA ' ' A' ' 534' ' ' GLU . 21.9 mt -107.13 119.88 40.59 Favored 'General case' 0 C--N 1.313 -0.987 0 C-N-CA 120.243 -0.583 . . . . 1.17 111.094 -177.231 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 553' ' ' MET . . . . . 0.619 ' HA ' " H4'" ' B' ' 5' ' ' ' U' . 68.0 mtm -109.31 81.19 1.4 Allowed 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.911 0.862 . . . . 1.55 109.511 179.774 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 554' ' ' LYS . . . . . 0.542 ' CD ' ' H ' ' A' ' 554' ' ' LYS . 0.2 OUTLIER -53.56 -27.99 29.3 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 114.174 -1.376 . . . . 1.63 112.692 173.15 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 555' ' ' SER . . . . . . . . . . . . . 61.2 p -69.39 -44.24 71.88 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 120.848 0.356 . . . . 0.7 111.113 -174.617 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 556' ' ' THR . . . . . 0.401 ' O ' ' HG3' ' A' ' 558' ' ' GLN . 40.6 p -99.2 4.56 46.76 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 112.422 0.527 . . . . 1.14 112.422 -177.887 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 557' ' ' ASN . . . . . . . . . . . . . 40.0 m-80 59.69 39.84 20.58 Favored 'General case' 0 N--CA 1.468 0.453 0 CA-C-O 121.769 0.795 . . . . 2.03 110.145 -176.581 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 558' ' ' GLN . . . . . 0.496 ' HG2' ' SG ' ' A' ' 525' ' ' CYS . 75.2 mt-30 -139.82 167.74 21.42 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 114.844 -1.071 . . . . 1.24 109.705 -175.528 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 559' ' ' ALA . . . . . . . . . . . . . . . -158.34 166.66 31.73 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.061 0.457 . . . . 1.04 111.783 -179.56 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 560' ' ' PHE . . . . . 0.485 ' HB2' ' HB ' ' A' ' 551' ' ' ILE . 76.7 m-85 -119.15 147.0 44.67 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.916 -0.584 . . . . 0.46 110.785 177.527 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 561' ' ' LEU . . . . . 0.551 ' O ' ' HB ' ' A' ' 522' ' ' VAL . 51.8 tp -138.49 119.59 14.51 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.72 -0.673 . . . . 1.06 110.547 -178.929 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 562' ' ' GLU . . . . . 0.406 ' HB3' ' HB2' ' A' ' 549' ' ' ASN . 43.5 tt0 -99.99 122.67 43.25 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.359 0.599 . . . . 2.09 110.324 176.271 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 563' ' ' MET . . . . . 0.537 ' HB2' ' NH2' ' A' ' 520' ' ' ARG . 18.9 mtt -110.74 147.59 34.11 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.184 -0.916 . . . . 1.06 108.827 -178.836 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 564' ' ' ALA . . . . . . . . . . . . . . . -58.66 -44.85 90.27 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 118.049 0.386 . . . . 1.25 111.626 -168.772 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 565' ' ' TYR . . . . . 0.412 ' CB ' ' HG2' ' A' ' 567' ' ' GLU . 85.5 m-85 -121.97 155.01 36.43 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.314 0.578 . . . . 1.39 111.12 -178.421 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 566' ' ' THR . . . . . 0.495 ' HA ' ' NH1' ' A' ' 520' ' ' ARG . 9.7 t -65.22 -27.37 68.62 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.175 -0.921 . . . . 1.24 110.574 -179.403 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 567' ' ' GLU . . . . . 0.412 ' HG2' ' CB ' ' A' ' 565' ' ' TYR . 10.3 pt-20 -57.32 -31.3 65.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.477 -0.783 . . . . 0.89 111.23 176.877 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 568' ' ' ALA . . . . . 0.644 ' O ' ' HG3' ' A' ' 572' ' ' MET . . . -72.55 -44.0 62.71 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.308 -0.405 . . . . 1.08 110.435 -177.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 569' ' ' ALA . . . . . 0.495 ' HA ' ' SD ' ' A' ' 563' ' ' MET . . . -63.14 -44.27 96.0 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.161 -0.472 . . . . 1.0 111.451 -176.407 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 570' ' ' GLN . . . . . . . . . . . . . 12.9 pt20 -64.94 -40.33 94.86 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.455 -0.338 . . . . 1.72 110.406 -178.547 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 571' ' ' ALA . . . . . . . . . . . . . . . -65.46 -43.4 90.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.113 -0.494 . . . . 1.08 111.116 -178.412 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 572' ' ' MET . . . . . 0.644 ' HG3' ' O ' ' A' ' 568' ' ' ALA . 26.9 mtt -66.32 -47.69 72.72 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.362 -0.381 . . . . 1.05 110.737 -179.37 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 573' ' ' VAL . . . . . 0.629 ' O ' ' HG2' ' A' ' 577' ' ' GLN . 86.7 t -58.43 -46.84 89.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 C-N-CA 121.03 -0.268 . . . . 1.08 110.413 -178.745 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 574' ' ' GLN . . . . . . . . . . . . . 98.4 mt-30 -61.42 -37.13 82.39 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.779 0.323 . . . . 2.79 110.947 178.667 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 575' ' ' TYR . . . . . . . . . . . . . 84.2 t80 -67.08 -51.78 50.15 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.292 -0.413 . . . . 1.09 110.036 179.882 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 576' ' ' TYR . . . . . 0.584 ' HA ' ' O ' ' A' ' 579' ' ' LYS . 65.6 m-85 -72.38 -13.52 61.49 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 112.709 0.633 . . . . 1.03 112.709 -178.08 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 577' ' ' GLN . . . . . 0.629 ' HG2' ' O ' ' A' ' 573' ' ' VAL . 26.5 mm-40 -67.74 -42.97 81.01 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.093 0.473 . . . . 2.14 109.826 170.468 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 578' ' ' GLU . . . . . . . . . . . . . 12.0 mm-40 -85.85 -38.45 18.1 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.843 -0.617 . . . . 2.14 111.3 178.125 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 579' ' ' LYS . . . . . 0.584 ' O ' ' HA ' ' A' ' 576' ' ' TYR . 24.7 mtpp -135.47 93.97 15.83 Favored Pre-proline 0 C--N 1.327 -0.412 0 CA-C-N 116.746 -0.206 . . . . 2.95 110.576 176.236 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 580' ' ' PRO . . . . . . . . . . . . . 43.4 Cg_endo -67.76 161.72 42.59 Favored 'Trans proline' 0 N--CA 1.461 -0.415 0 C-N-CA 122.23 1.953 . . . . 0.51 111.072 174.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 581' ' ' ALA . . . . . 0.443 ' O ' ' HG ' ' A' ' 588' ' ' LEU . . . -90.03 136.18 33.2 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 109.828 -0.434 . . . . 1.09 109.828 -175.859 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 582' ' ' ILE . . . . . . . . . . . . . 30.7 mt -101.26 118.57 48.2 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.77 0 CA-C-N 116.322 -0.399 . . . . 1.19 111.717 -172.784 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 583' ' ' ILE . . . . . . . . . . . . . 29.4 mm -126.75 114.46 37.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 N-CA-C 109.31 -0.626 . . . . 1.21 109.31 174.332 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 584' ' ' ASN . . . . . . . . . . . . . 79.0 m-20 59.66 32.45 21.5 Favored 'General case' 0 N--CA 1.467 0.413 0 CA-C-O 121.217 0.532 . . . . 1.34 110.065 -175.9 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 585' ' ' GLY . . . . . . . . . . . . . . . 76.98 7.77 86.68 Favored Glycine 0 N--CA 1.448 -0.545 0 CA-C-N 115.759 -0.655 . . . . 0.51 112.812 -179.539 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 586' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -105.45 127.41 52.98 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.882 0.372 . . . . 1.79 110.465 179.379 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 587' ' ' LYS . . . . . . . . . . . . . 44.2 mmtm -75.53 127.16 32.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.889 -0.596 . . . . 2.25 111.6 -178.249 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 588' ' ' LEU . . . . . 0.443 ' HG ' ' O ' ' A' ' 581' ' ' ALA . 43.7 mt -89.17 138.19 31.65 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.029 -0.532 . . . . 1.03 110.586 178.691 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 589' ' ' LEU . . . . . . . . . . . . . 51.1 tp -113.9 114.8 26.73 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.281 -0.418 . . . . 1.13 111.076 -179.011 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 590' ' ' ILE . . . . . 0.434 HD11 ' CE2' ' A' ' 576' ' ' TYR . 22.8 mt -102.35 129.98 52.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 N-CA-C 110.198 -0.297 . . . . 1.08 110.198 176.014 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 591' ' ' ARG . . . . . . . . . . . . . 60.0 mtp180 -145.47 163.51 34.46 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.385 -0.371 . . . . 3.18 110.393 -178.077 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 592' ' ' MET . . . . . . . . . . . . . 61.1 mtt -82.72 143.94 30.56 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 109.429 -0.582 . . . . 1.13 109.429 174.196 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 593' ' ' SER . . . . . . . . . . . . . 43.1 t -85.69 130.97 34.43 Favored 'General case' 0 C--O 1.237 0.441 0 CA-C-O 121.541 0.686 . . . . 1.65 111.815 -175.428 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 594' ' ' THR . . . . . . . . . . . . . 19.2 p -89.68 -11.73 41.59 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 114.384 -1.28 . . . . 1.14 110.908 177.458 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 595' ' ' ARG . . . . . . . . . . . . . 62.4 mtp180 -101.02 -29.9 11.92 Favored 'General case' 0 C--N 1.331 -0.201 0 N-CA-C 112.911 0.708 . . . . 3.37 112.911 -171.025 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 596' ' ' TYR . . . . . . . . . . . . . 62.5 m-85 -127.7 152.3 47.9 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 112.69 0.626 . . . . 1.15 112.69 -174.908 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 597' ' ' LYS . . . . . . . . . . . . . 97.2 mttt -108.54 -19.99 13.25 Favored 'General case' 0 C--O 1.222 -0.39 0 CA-C-N 115.144 -0.934 . . . . 2.63 112.173 -179.356 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 598' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -142.05 151.36 42.33 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.295 0.569 . . . . 0.95 111.592 -175.324 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 599' ' ' LEU . . . . . 0.543 HD22 HG12 ' A' ' 521' ' ' VAL . 93.0 mt -117.1 120.84 39.57 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 114.992 -1.003 . . . . 1.18 110.41 177.692 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 600' ' ' GLN . . . . . . . . . . . . . 20.4 pt20 -113.61 137.97 50.84 Favored 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 109.906 -0.405 . . . . 1.65 109.906 179.002 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 601' ' ' LEU . . . . . . . . . . . . . 82.2 mt -87.13 91.86 8.86 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 121.27 0.557 . . . . 1.23 111.238 -177.491 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 602' ' ' LYS . . . . . 0.49 ' HD3' ' O2 ' ' B' ' 4' ' ' ' U' . 56.9 mtpt -77.67 -13.6 59.86 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.477 -0.783 . . . . 2.22 110.588 177.248 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 603' ' ' LYS . . . . . . . . . . . . . 34.5 mmtp -122.45 141.74 35.56 Favored Pre-proline 0 C--N 1.324 -0.529 0 CA-C-N 115.743 -0.662 . . . . 2.26 109.621 177.83 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 604' ' ' PRO . . . . . . . . . . . . . 39.5 Cg_endo -67.4 149.41 80.56 Favored 'Trans proline' 0 C--O 1.233 0.27 0 C-N-CA 122.483 2.122 . . . . 1.26 111.574 177.225 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 605' ' ' GLY . . . . . . . . . . . . . . . -132.89 179.01 17.7 Favored Glycine 0 N--CA 1.439 -1.108 0 C-N-CA 120.651 -0.785 . . . . 1.23 112.097 -177.657 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 606' ' ' LYS . . . . . . . . . . . . . 36.8 mmtm -91.21 156.51 17.79 Favored 'General case' 0 C--N 1.315 -0.933 0 N-CA-C 108.987 -0.745 . . . . 3.96 108.987 179.07 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 607' ' ' ASN . . . . . . . . . . . . . 26.3 t-20 -62.37 122.08 14.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.952 0.406 . . . . 1.8 110.387 175.487 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 608' ' ' VAL . . . . . 0.557 HG11 ' HB ' ' A' ' 547' ' ' VAL . 43.7 t -76.74 -26.31 16.3 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 115.833 -0.621 . . . . 1.07 112.365 -171.687 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 609' ' ' ALA . . . . . . . . . . . . . . . -60.82 -36.48 79.19 Favored 'General case' 0 C--O 1.239 0.512 0 CA-C-O 121.631 0.729 . . . . 1.27 110.635 177.432 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 610' ' ' ALA . . . . . . . . . . . . . . . -65.51 -28.59 69.3 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.436 -0.802 . . . . 1.14 110.367 177.229 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 611' ' ' ILE . . . . . . . . . . . . . 72.3 mt -71.21 -29.83 37.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 115.849 -0.614 . . . . 1.03 109.716 178.273 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 612' ' ' ILE . . . . . 0.438 ' CG1' HD11 ' A' ' 542' ' ' LEU . 61.8 mt -60.72 -44.65 97.69 Favored 'Isoleucine or valine' 0 C--O 1.234 0.279 0 N-CA-C 109.529 -0.545 . . . . 1.11 109.529 173.819 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 613' ' ' GLN . . . . . 0.428 ' HA ' ' OE1' ' A' ' 613' ' ' GLN . 14.3 mm-40 -66.04 -29.72 70.13 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.517 -0.765 . . . . 3.02 110.407 178.241 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 614' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -65.94 -45.32 82.27 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.156 -0.929 . . . . 1.95 110.502 176.756 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 615' ' ' ILE . . . . . 0.578 ' CD1' ' HB2' ' A' ' 542' ' ' LEU . 85.3 mt -65.29 -41.76 92.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 120.976 0.417 . . . . 1.08 110.863 179.172 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 616' ' ' HIS . . . . . . . . . . . . . 26.4 m-70 -67.38 -26.83 66.65 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.9 -0.591 . . . . 1.73 110.917 178.752 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 617' ' ' SER . . . . . 0.441 ' O ' ' HB2' ' A' ' 618' ' ' GLN . 12.7 t -66.15 -24.5 66.67 Favored 'General case' 0 N--CA 1.454 -0.259 0 N-CA-C 109.167 -0.679 . . . . 1.77 109.167 172.227 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 618' ' ' GLN . . . . . 0.441 ' HB2' ' O ' ' A' ' 617' ' ' SER . 69.1 mt-30 82.7 104.88 0.06 Allowed 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 114.544 -1.207 . . . . 5.45 111.784 173.104 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 619' ' ' ARG . . . . . . . . . . . . . 22.1 mmm180 -96.67 30.55 2.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.011 -0.995 . . . . 8.54 110.462 -178.387 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 620' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -130.9 105.86 8.04 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 116.059 -0.519 . . . . 7.92 109.982 -179.88 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 621' ' ' ARG . . . . . . . . . . . . . 73.0 mtt180 . . . . . 0 C--O 1.249 1.057 0 CA-C-O 118.452 -0.785 . . . . 11.52 110.343 -177.244 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 1' ' ' ADN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 2' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.931 0 C3'-C2'-C1' 99.213 -2.541 . 0.0 '__' . 2.99 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 3' ' ' ' C' . . . . . 0.587 ' C2 ' ' HB3' ' A' ' 593' ' ' SER . . . . . . . . 0 O5'--C5' 1.427 -0.818 0 P-O3'-C3' 121.188 1.24 . 0.0 OUTLIER . 1.58 . . . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 4' ' ' ' U' . . . . . 0.462 ' O4 ' ' HA ' ' A' ' 599' ' ' LEU . . . . . . . . 0 O5'--C5' 1.428 -0.757 0 C4'-C3'-C2' 104.49 1.79 . 0.0 OUTLIER gamma 1.21 . . . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 5' ' ' ' U' . . . . . 0.565 ' N3 ' HG23 ' A' ' 551' ' ' ILE . . . . . . . . 0 O5'--C5' 1.422 -1.099 0 C4'-C3'-C2' 103.485 0.785 . 0.0 OUTLIER gamma 1.33 . . . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 6' ' ' ' A' . . . . . 0.409 ' OP1' ' HB2' ' A' ' 554' ' ' LYS . . . . . . . . 0 O5'--C5' 1.424 -1.022 0 C3'-C2'-C1' 100.39 -1.234 . 0.0 OUTLIER . 4.58 . . . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 510' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 1.463 0 N-CA-C 112.269 -0.333 . . . . 9.27 112.269 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 511' ' ' ALA . . . . . . . . . . . . . . . -103.65 161.64 13.74 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 110.513 -0.18 . . . . 6.96 110.513 179.63 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 512' ' ' MET . . . . . . . . . . . . . 24.9 ttt -150.11 153.6 36.66 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 110.005 -0.369 . . . . 6.68 110.005 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 513' ' ' ALA . . . . . . . . . . . . . . . -78.4 78.69 4.86 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.893 0.378 . . . . 4.66 110.242 177.121 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 514' ' ' GLN . . . . . . . . . . . . . 15.1 mm100 -64.13 136.99 57.74 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.618 -0.719 . . . . 2.88 111.227 -177.268 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 515' ' ' ARG . . . . . . . . . . . . . 30.0 mmt180 -86.15 145.67 26.92 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.208 -0.451 . . . . 4.64 110.098 176.746 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 516' ' ' LYS . . . . . 0.434 ' HB3' ' NH1' ' A' ' 520' ' ' ARG . 44.7 mmtm -136.7 28.27 2.97 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.313 -0.403 . . . . 2.38 110.06 174.899 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 517' ' ' GLY . . . . . . . . . . . . . . . -82.9 -99.69 0.51 Allowed Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.69 -0.767 . . . . 2.04 111.669 -178.589 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 518' ' ' ALA . . . . . . . . . . . . . . . -86.1 -16.33 38.37 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 121.838 0.827 . . . . 1.94 109.211 175.354 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 519' ' ' GLY . . . . . . . . . . . . . . . -109.52 110.58 2.98 Favored Glycine 0 N--CA 1.44 -1.073 0 CA-C-N 114.276 -1.329 . . . . 0.98 111.08 177.189 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 520' ' ' ARG . . . . . 0.434 ' NH1' ' HB3' ' A' ' 516' ' ' LYS . 36.6 mtp85 -131.38 132.95 44.79 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 109.705 -0.48 . . . . 2.86 109.705 173.873 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 521' ' ' VAL . . . . . 0.537 HG12 HD22 ' A' ' 599' ' ' LEU . 94.2 t -117.84 121.19 66.81 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.736 0 CA-C-N 116.104 -0.498 . . . . 1.14 111.26 175.043 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 522' ' ' VAL . . . . . . . . . . . . . 24.2 t -121.11 122.81 68.54 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.782 0 N-CA-C 107.73 -1.211 . . . . 1.05 107.73 172.703 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 523' ' ' HIS . . . . . 0.532 ' HB2' ' OG ' ' A' ' 593' ' ' SER . 50.7 t-80 -104.99 133.72 49.3 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.174 0.512 . . . . 0.57 110.854 -172.569 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 524' ' ' ILE . . . . . 0.441 HG12 HG12 ' A' ' 590' ' ' ILE . 29.2 mt -114.02 129.89 69.16 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.886 0 N-CA-C 108.412 -0.959 . . . . 1.06 108.412 177.265 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 525' ' ' CYS . . . . . 0.506 ' SG ' ' HB3' ' A' ' 589' ' ' LEU . 2.1 p -134.76 165.84 24.34 Favored 'General case' 0 C--N 1.315 -0.927 0 C-N-CA 120.513 -0.475 . . . . 1.75 111.57 -174.521 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 526' ' ' ASN . . . . . 0.476 ' HB2' ' O ' ' A' ' 525' ' ' CYS . 87.7 m-20 86.68 28.69 0.04 OUTLIER 'General case' 0 N--CA 1.468 0.443 0 O-C-N 124.998 1.436 . . . . 0.28 110.032 178.027 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 527' ' ' LEU . . . . . 0.558 ' HB3' ' SG ' ' A' ' 532' ' ' CYS . 82.1 mt -92.96 123.34 61.52 Favored Pre-proline 0 C--N 1.323 -0.544 0 CA-C-N 115.26 -0.882 . . . . 1.04 108.692 177.823 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 528' ' ' PRO . . . . . 0.412 ' HD3' ' HA ' ' A' ' 527' ' ' LEU . 4.3 Cg_exo -74.36 134.21 18.68 Favored 'Trans proline' 0 N--CA 1.461 -0.399 0 C-N-CA 121.54 1.494 . . . . 0.5 111.917 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 529' ' ' GLU . . . . . . . . . . . . . 28.0 tt0 -65.28 130.78 44.58 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 109.85 -0.426 . . . . 1.6 109.85 177.233 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 530' ' ' GLY . . . . . . . . . . . . . . . 94.55 3.24 62.91 Favored Glycine 0 N--CA 1.445 -0.757 0 N-CA-C 110.505 -1.038 . . . . 0.52 110.505 -172.434 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 531' ' ' SER . . . . . . . . . . . . . 50.7 m -145.97 7.61 1.07 Allowed 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.066 0.46 . . . . 1.49 110.385 -178.89 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 532' ' ' CYS . . . . . 0.558 ' SG ' ' HB3' ' A' ' 527' ' ' LEU . 57.5 m -94.18 90.7 6.45 Favored 'General case' 0 CA--C 1.515 -0.399 0 N-CA-C 108.953 -0.758 . . . . 0.25 108.953 179.744 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 533' ' ' THR . . . . . 0.471 ' O ' HG23 ' A' ' 537' ' ' VAL . 25.4 p -102.0 151.25 22.35 Favored 'General case' 0 N--CA 1.442 -0.833 0 C-N-CA 119.515 -0.874 . . . . 1.1 108.701 -178.798 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 534' ' ' GLU . . . . . 0.521 ' HA ' HD12 ' A' ' 552' ' ' LEU . 22.9 mp0 -64.95 -33.64 76.52 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 109.004 -0.739 . . . . 1.64 109.004 178.941 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 535' ' ' ASN . . . . . 0.439 HD22 ' CG ' ' A' ' 614' ' ' ASP . 26.1 t-20 -61.05 -49.05 78.93 Favored 'General case' 0 N--CA 1.443 -0.794 0 CA-C-N 114.506 -1.224 . . . . 1.86 111.535 -178.879 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 536' ' ' ASP . . . . . . . . . . . . . 57.4 m-20 -69.63 -46.22 66.71 Favored 'General case' 0 N--CA 1.473 0.714 0 CA-C-O 121.523 0.678 . . . . 0.61 111.154 -173.916 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 537' ' ' VAL . . . . . 0.471 HG23 ' O ' ' A' ' 533' ' ' THR . 28.0 t -61.32 -47.53 93.05 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 CA-C-N 114.719 -1.128 . . . . 1.03 110.115 -177.356 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 538' ' ' ILE . . . . . 0.534 HD12 ' CD1' ' A' ' 550' ' ' TYR . 62.6 mt -68.41 -33.31 59.53 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-N 115.695 -0.684 . . . . 1.06 111.28 176.525 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 539' ' ' ASN . . . . . . . . . . . . . 9.7 m120 -58.25 -26.41 62.89 Favored 'General case' 0 N--CA 1.468 0.446 0 C-N-CA 120.797 -0.361 . . . . 0.25 110.364 175.874 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 540' ' ' LEU . . . . . . . . . . . . . 87.4 mt -75.51 -41.38 55.34 Favored 'General case' 0 C--N 1.323 -0.556 0 C-N-CA 120.475 -0.49 . . . . 1.11 110.241 174.218 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 541' ' ' GLY . . . . . 0.547 ' HA2' ' SD ' ' A' ' 572' ' ' MET . . . -67.43 -51.69 35.64 Favored Glycine 0 CA--C 1.527 0.824 0 N-CA-C 116.278 1.271 . . . . 0.19 116.278 -178.939 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 542' ' ' LEU . . . . . 0.485 ' HB2' ' CD1' ' A' ' 615' ' ' ILE . 49.7 mt -61.95 -39.63 60.82 Favored Pre-proline 0 C--N 1.319 -0.749 0 N-CA-C 115.628 1.714 . . . . 1.06 115.628 -168.15 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 543' ' ' PRO . . . . . 0.426 ' HG3' HG22 ' A' ' 615' ' ' ILE . 52.5 Cg_exo -60.5 -25.39 80.49 Favored 'Trans proline' 0 C--N 1.345 0.359 0 C-N-CA 121.476 1.451 . . . . 0.25 112.995 -179.197 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 544' ' ' PHE . . . . . . . . . . . . . 92.5 m-85 -103.44 -4.06 24.58 Favored 'General case' 0 C--O 1.233 0.199 0 N-CA-C 111.877 0.325 . . . . 0.38 111.877 -179.178 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 545' ' ' GLY . . . . . . . . . . . . . . . 172.72 -171.14 44.17 Favored Glycine 0 N--CA 1.448 -0.506 0 C-N-CA 119.726 -1.226 . . . . 0.44 113.192 -179.524 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 546' ' ' LYS . . . . . . . . . . . . . 63.3 tttp -95.26 121.96 37.45 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 110.211 -0.292 . . . . 2.62 110.211 -177.706 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 547' ' ' VAL . . . . . 0.536 ' HB ' HG12 ' A' ' 608' ' ' VAL . 77.2 t -87.83 113.85 25.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-N 116.411 -0.359 . . . . 1.05 110.209 174.057 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 548' ' ' THR . . . . . . . . . . . . . 20.8 p -96.9 -35.09 11.01 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.066 -0.516 . . . . 1.11 111.643 177.171 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 549' ' ' ASN . . . . . 0.52 ' OD1' HD11 ' A' ' 601' ' ' LEU . 89.8 m-20 -142.03 160.68 39.72 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.43 0.633 . . . . 1.49 110.623 178.523 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 550' ' ' TYR . . . . . 0.534 ' CD1' HD12 ' A' ' 538' ' ' ILE . 1.6 p90 -160.86 150.75 17.46 Favored 'General case' 0 C--N 1.315 -0.904 0 CA-C-N 114.988 -1.005 . . . . 0.96 109.016 -179.582 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 551' ' ' ILE . . . . . 0.565 HG23 ' N3 ' ' B' ' 5' ' ' ' U' . 77.5 mt -140.01 121.43 15.24 Favored 'Isoleucine or valine' 0 CA--C 1.506 -0.725 0 N-CA-C 108.144 -1.058 . . . . 1.1 108.144 178.664 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 552' ' ' LEU . . . . . 0.521 HD12 ' HA ' ' A' ' 534' ' ' GLU . 18.6 mt -111.76 111.7 22.86 Favored 'General case' 0 C--N 1.311 -1.079 0 C-N-CA 119.497 -0.881 . . . . 1.17 109.544 178.796 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 553' ' ' MET . . . . . 0.429 ' HG2' " C4'" ' B' ' 4' ' ' ' U' . 2.9 mpp? -100.67 84.42 2.73 Favored 'General case' 0 C--N 1.317 -0.838 0 N-CA-C 108.028 -1.101 . . . . 1.55 108.028 -176.531 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 554' ' ' LYS . . . . . 0.506 ' HD2' ' HB2' ' A' ' 532' ' ' CYS . 19.6 mmtp -52.43 -29.57 25.11 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 114.343 -1.299 . . . . 1.63 111.995 -179.596 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 555' ' ' SER . . . . . . . . . . . . . 63.5 p -69.85 -39.14 76.58 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 120.932 0.396 . . . . 0.7 111.207 -175.64 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 556' ' ' THR . . . . . . . . . . . . . 62.9 p -97.21 3.04 51.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.289 -0.414 . . . . 1.14 111.904 -177.306 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 557' ' ' ASN . . . . . 0.53 ' N ' HD21 ' A' ' 557' ' ' ASN . 0.9 OUTLIER 56.4 38.18 29.48 Favored 'General case' 0 N--CA 1.469 0.508 0 CA-C-O 121.505 0.669 . . . . 2.03 110.727 -178.63 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 558' ' ' GLN . . . . . . . . . . . . . 48.8 mt-30 -144.57 166.79 24.17 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.308 -0.86 . . . . 1.24 109.719 -176.672 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 559' ' ' ALA . . . . . . . . . . . . . . . -156.38 164.36 38.38 Favored 'General case' 0 N--CA 1.449 -0.503 0 CA-C-O 121.487 0.66 . . . . 1.04 112.475 -176.155 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 560' ' ' PHE . . . . . 0.448 ' HB2' ' HB ' ' A' ' 551' ' ' ILE . 91.4 m-85 -120.85 151.43 39.65 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.146 -0.933 . . . . 0.46 110.899 176.351 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 561' ' ' LEU . . . . . . . . . . . . . 47.8 tp -137.39 120.77 17.0 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.788 -0.642 . . . . 1.06 110.029 -179.512 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 562' ' ' GLU . . . . . . . . . . . . . 31.5 tt0 -98.41 132.4 43.9 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.349 0.595 . . . . 2.09 110.425 179.059 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 563' ' ' MET . . . . . 0.543 ' SD ' ' HA ' ' A' ' 569' ' ' ALA . 40.9 mtt -122.28 135.13 54.69 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.119 -0.946 . . . . 1.06 109.769 -174.377 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 564' ' ' ALA . . . . . . . . . . . . . . . -74.44 -16.51 60.86 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 112.694 0.627 . . . . 1.25 112.694 -170.176 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 565' ' ' TYR . . . . . . . . . . . . . 98.5 m-85 -138.16 148.09 44.54 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 120.799 0.333 . . . . 1.39 110.303 -176.436 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 566' ' ' THR . . . . . . . . . . . . . 14.0 t -63.89 -27.38 69.12 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.818 -0.628 . . . . 1.24 110.787 -179.341 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 567' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -56.55 -34.12 66.76 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.592 -0.731 . . . . 0.89 110.926 176.735 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 568' ' ' ALA . . . . . 0.626 ' O ' ' HG3' ' A' ' 572' ' ' MET . . . -74.23 -45.83 45.57 Favored 'General case' 0 N--CA 1.45 -0.444 0 CA-C-N 115.963 -0.562 . . . . 1.08 111.49 -172.672 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 569' ' ' ALA . . . . . 0.543 ' HA ' ' SD ' ' A' ' 563' ' ' MET . . . -65.28 -44.86 86.67 Favored 'General case' 0 N--CA 1.453 -0.282 0 CA-C-N 116.574 -0.284 . . . . 1.0 111.216 -176.256 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 570' ' ' GLN . . . . . . . . . . . . . 13.4 pt20 -68.14 -36.29 79.45 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.558 -0.292 . . . . 1.72 111.123 -179.448 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 571' ' ' ALA . . . . . . . . . . . . . . . -65.56 -46.16 80.56 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-O 120.763 0.316 . . . . 1.08 111.135 -179.338 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 572' ' ' MET . . . . . 0.626 ' HG3' ' O ' ' A' ' 568' ' ' ALA . 23.5 mtt -68.9 -47.65 65.3 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.241 -0.436 . . . . 1.05 111.222 -177.028 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 573' ' ' VAL . . . . . 0.4 HG21 ' O ' ' A' ' 569' ' ' ALA . 81.3 t -58.49 -47.55 87.93 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.369 0 C-N-CA 120.83 -0.348 . . . . 1.08 110.556 -177.426 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 574' ' ' GLN . . . . . . . . . . . . . 49.6 mt-30 -61.32 -38.04 85.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.823 0.344 . . . . 2.79 110.855 179.865 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 575' ' ' TYR . . . . . . . . . . . . . 91.8 t80 -68.93 -53.29 21.76 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.082 -0.508 . . . . 1.09 110.879 -179.085 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 576' ' ' TYR . . . . . 0.434 ' CD2' HD11 ' A' ' 590' ' ' ILE . 84.8 m-85 -75.94 -14.39 60.25 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 112.901 0.704 . . . . 1.03 112.901 -174.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 577' ' ' GLN . . . . . . . . . . . . . 11.5 mm100 -68.78 -43.71 75.16 Favored 'General case' 0 C--N 1.328 -0.339 0 C-N-CA 120.509 -0.477 . . . . 2.14 109.962 172.397 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 578' ' ' GLU . . . . . . . . . . . . . 41.1 mm-40 -88.59 -37.57 15.56 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.037 -0.529 . . . . 2.14 111.747 179.557 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 579' ' ' LYS . . . . . . . . . . . . . 63.4 mttm -131.35 82.29 62.79 Favored Pre-proline 0 C--N 1.324 -0.542 0 N-CA-C 109.338 -0.615 . . . . 2.95 109.338 -177.846 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 580' ' ' PRO . . . . . . . . . . . . . 9.2 Cg_exo -67.86 161.34 44.43 Favored 'Trans proline' 0 N--CA 1.459 -0.553 0 C-N-CA 122.699 2.266 . . . . 0.51 111.831 -177.126 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 581' ' ' ALA . . . . . . . . . . . . . . . -90.71 136.85 32.8 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.363 -0.38 . . . . 1.09 110.127 -176.614 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 582' ' ' ILE . . . . . . . . . . . . . 63.7 mt -100.28 121.21 50.74 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.741 0 CA-C-N 116.212 -0.449 . . . . 1.19 111.402 -175.574 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 583' ' ' ILE . . . . . . . . . . . . . 5.5 mt -126.79 112.01 27.79 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 CA-C-N 115.924 -0.58 . . . . 1.21 109.726 170.31 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 584' ' ' ASN . . . . . . . . . . . . . 96.4 m-20 57.82 34.46 24.41 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-O 121.421 0.629 . . . . 1.34 110.66 -178.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 585' ' ' GLY . . . . . . . . . . . . . . . 84.98 4.29 87.13 Favored Glycine 0 N--CA 1.447 -0.632 0 CA-C-N 115.353 -0.839 . . . . 0.51 113.575 177.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 586' ' ' GLU . . . . . . . . . . . . . 75.1 mm-40 -100.91 126.71 47.56 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 117.163 0.481 . . . . 1.79 111.239 179.717 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 587' ' ' LYS . . . . . . . . . . . . . 72.6 mmtt -73.46 112.49 9.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.443 -0.799 . . . . 2.25 110.365 174.62 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 588' ' ' LEU . . . . . . . . . . . . . 48.1 mt -78.85 136.18 37.25 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 120.762 0.315 . . . . 1.03 110.383 178.607 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 589' ' ' LEU . . . . . 0.506 ' HB3' ' SG ' ' A' ' 525' ' ' CYS . 40.9 tp -112.74 112.93 24.78 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.971 -0.559 . . . . 1.13 110.691 -177.284 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 590' ' ' ILE . . . . . 0.441 HG12 HG12 ' A' ' 524' ' ' ILE . 18.6 mt -103.7 118.48 50.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 N-CA-C 110.127 -0.323 . . . . 1.08 110.127 176.309 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 591' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -146.78 164.94 31.17 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.253 -0.43 . . . . 3.18 109.85 -178.374 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 592' ' ' MET . . . . . . . . . . . . . 62.0 mtt -83.58 142.81 30.57 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 110.107 -0.331 . . . . 1.13 110.107 -178.499 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 593' ' ' SER . . . . . 0.587 ' HB3' ' C2 ' ' B' ' 3' ' ' ' C' . 55.6 m -86.67 141.27 29.06 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.278 0.561 . . . . 1.65 112.098 -175.909 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 594' ' ' THR . . . . . . . . . . . . . 19.5 p -91.62 -17.04 26.15 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.064 -0.971 . . . . 1.14 112.335 -178.583 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 595' ' ' ARG . . . . . 0.456 ' HB2' ' O2 ' ' B' ' 3' ' ' ' C' . 73.4 mtp180 -101.63 -31.55 10.77 Favored 'General case' 0 C--N 1.329 -0.285 0 C-N-CA 120.389 -0.524 . . . . 3.37 112.074 -171.088 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 596' ' ' TYR . . . . . 0.559 ' HE1' HO2' ' B' ' 3' ' ' ' C' . 69.0 m-85 -115.19 139.17 50.16 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 121.107 0.48 . . . . 1.15 111.583 -176.111 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 597' ' ' LYS . . . . . 0.527 ' N ' ' HD2' ' A' ' 597' ' ' LYS . 10.1 mptt -109.05 -7.82 15.28 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.163 -0.926 . . . . 2.63 110.434 177.504 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 598' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -143.09 151.78 41.12 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.978 0.418 . . . . 0.95 110.843 -175.703 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 599' ' ' LEU . . . . . 0.537 HD22 HG12 ' A' ' 521' ' ' VAL . 85.9 mt -115.88 119.63 36.59 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.542 -0.754 . . . . 1.18 110.455 -179.537 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 600' ' ' GLN . . . . . . . . . . . . . 30.1 tt0 -104.27 126.38 51.33 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.834 -0.621 . . . . 1.65 110.967 -179.681 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 601' ' ' LEU . . . . . 0.52 HD11 ' OD1' ' A' ' 549' ' ' ASN . 54.9 mt -84.02 90.57 7.46 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.149 -0.478 . . . . 1.23 111.251 -179.674 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 602' ' ' LYS . . . . . . . . . . . . . 54.7 mtpt -75.61 -20.7 58.36 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.194 0.521 . . . . 2.22 110.232 173.204 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 603' ' ' LYS . . . . . . . . . . . . . 33.9 mmtp -113.73 152.38 45.48 Favored Pre-proline 0 C--N 1.323 -0.583 0 CA-C-N 115.725 -0.67 . . . . 2.26 109.375 177.1 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 604' ' ' PRO . . . . . . . . . . . . . 31.1 Cg_endo -63.65 157.49 51.23 Favored 'Trans proline' 0 C--O 1.235 0.331 0 C-N-CA 122.653 2.235 . . . . 1.26 112.7 -177.17 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 605' ' ' GLY . . . . . . . . . . . . . . . -113.93 126.68 7.46 Favored Glycine 0 N--CA 1.439 -1.155 0 N-CA-C 110.766 -0.934 . . . . 1.23 110.766 -179.53 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 606' ' ' LYS . . . . . . . . . . . . . 30.6 mmmt -92.25 165.36 13.15 Favored 'General case' 0 C--N 1.314 -0.972 0 N-CA-C 109.355 -0.609 . . . . 3.96 109.355 -179.514 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 607' ' ' ASN . . . . . . . . . . . . . 51.7 t-20 -54.72 120.81 7.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.329 0.585 . . . . 1.8 111.209 179.536 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 608' ' ' VAL . . . . . 0.536 HG12 ' HB ' ' A' ' 547' ' ' VAL . 71.5 t -95.71 -27.13 4.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-N 115.158 -0.928 . . . . 1.07 110.695 -178.369 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 609' ' ' ALA . . . . . . . . . . . . . . . -61.93 -34.92 76.96 Favored 'General case' 0 C--O 1.239 0.508 0 CA-C-O 121.516 0.674 . . . . 1.27 110.387 176.314 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 610' ' ' ALA . . . . . . . . . . . . . . . -65.1 -27.07 68.51 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.506 -0.77 . . . . 1.14 110.274 175.885 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 611' ' ' ILE . . . . . 0.432 ' HB ' ' O ' ' A' ' 608' ' ' VAL . 74.9 mt -71.33 -31.4 43.45 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 115.726 -0.67 . . . . 1.03 109.646 177.331 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 612' ' ' ILE . . . . . 0.473 ' CG1' HD12 ' A' ' 542' ' ' LEU . 58.3 mt -61.15 -41.45 89.46 Favored 'Isoleucine or valine' 0 C--O 1.234 0.284 0 CA-C-O 120.913 0.387 . . . . 1.11 110.008 173.613 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 613' ' ' GLN . . . . . . . . . . . . . 71.1 mt-30 -61.9 -37.63 85.32 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 115.72 -0.673 . . . . 3.02 109.505 176.58 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 614' ' ' ASP . . . . . 0.439 ' CG ' HD22 ' A' ' 535' ' ' ASN . 15.8 t70 -64.89 -45.37 86.22 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 114.58 -1.191 . . . . 1.95 111.243 -177.771 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 615' ' ' ILE . . . . . 0.485 ' CD1' ' HB2' ' A' ' 542' ' ' LEU . 87.4 mt -59.16 -48.62 86.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.125 -0.489 . . . . 1.08 110.87 179.16 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 616' ' ' HIS . . . . . . . . . . . . . 50.6 m-70 -70.53 -27.69 64.35 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.807 -0.633 . . . . 1.73 111.205 -179.779 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 617' ' ' SER . . . . . . . . . . . . . 15.9 t -65.26 -33.11 75.21 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.265 -0.425 . . . . 1.77 110.544 178.261 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 618' ' ' GLN . . . . . . . . . . . . . 82.1 mm-40 71.64 -61.9 0.47 Allowed 'General case' 0 N--CA 1.467 0.383 0 O-C-N 123.885 0.74 . . . . 5.45 110.563 -179.666 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 619' ' ' ARG . . . . . . . . . . . . . 83.2 mtp180 -123.24 143.58 49.95 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 109.257 -0.646 . . . . 8.54 109.257 176.104 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 620' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -105.99 31.95 4.73 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 121.138 0.494 . . . . 7.92 111.114 -177.464 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 621' ' ' ARG . . . . . . . . . . . . . 51.2 ttp180 . . . . . 0 C--O 1.247 0.943 0 CA-C-N 115.144 -0.934 . . . . 11.52 109.962 -179.731 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 1' ' ' ADN . . . . . 0.521 " H4'" " O5'" ' B' ' 2' ' ' ' U' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 2' ' ' ' U' . . . . . 0.521 " O5'" " H4'" ' B' ' 1' ' ' ADN . . . . . . . . 0 O5'--C5' 1.425 -0.965 0 C3'-C2'-C1' 100.408 -1.213 . 0.0 '__' . 2.99 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 3' ' ' ' C' . . . . . 0.626 " H2'" ' HD3' ' A' ' 595' ' ' ARG . . . . . . . . 0 O5'--C5' 1.427 -0.838 0 C4'-C3'-C2' 104.177 1.477 . 0.0 OUTLIER . 1.58 . . . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 4' ' ' ' U' . . . . . 0.733 H5'' ' HE2' ' A' ' 553' ' ' MET . . . . . . . . 0 O5'--C5' 1.424 -0.993 0 C4'-C3'-C2' 104.202 1.502 . 0.0 OUTLIER . 1.21 . . . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 5' ' ' ' U' . . . . . 0.65 ' O4 ' ' HA ' ' A' ' 601' ' ' LEU . . . . . . . . 0 O5'--C5' 1.424 -0.975 0 C3'-C2'-C1' 99.773 -1.919 . 0.0 OUTLIER gamma 1.33 . . . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 6' ' ' ' A' . . . . . 0.405 ' C2 ' " H3'" ' B' ' 5' ' ' ' U' . . . . . . . . 0 O5'--C5' 1.43 -0.643 0 P-O3'-C3' 121.088 1.156 . 0.0 OUTLIER gamma 4.58 . . . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 510' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.775 0 N-CA-C 111.921 -0.472 . . . . 9.27 111.921 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 511' ' ' ALA . . . . . . . . . . . . . . . -81.92 125.52 30.84 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.601 0.239 . . . . 6.96 110.785 -179.592 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 512' ' ' MET . . . . . . . . . . . . . 26.2 ptm -147.51 145.45 29.12 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.307 -0.406 . . . . 6.68 110.401 -179.901 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 513' ' ' ALA . . . . . . . . . . . . . . . 68.38 -77.95 0.05 OUTLIER 'General case' 0 N--CA 1.466 0.338 0 O-C-N 123.993 0.808 . . . . 4.66 111.893 179.755 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 514' ' ' GLN . . . . . . . . . . . . . 46.1 mt-30 -137.36 177.04 8.17 Favored 'General case' 0 C--N 1.309 -1.192 0 CA-C-N 115.327 -0.851 . . . . 2.88 111.028 -178.899 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 515' ' ' ARG . . . . . . . . . . . . . 51.5 mtm180 -75.04 -65.7 0.85 Allowed 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.17 -0.468 . . . . 4.64 110.952 179.381 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 516' ' ' LYS . . . . . . . . . . . . . 73.2 mmtt 55.3 75.34 0.32 Allowed 'General case' 0 N--CA 1.465 0.284 0 CA-C-N 115.802 -0.635 . . . . 2.38 110.566 -178.152 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 517' ' ' GLY . . . . . . . . . . . . . . . -161.78 -75.49 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.36 0 N-CA-C 111.267 -0.733 . . . . 2.04 111.267 178.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 518' ' ' ALA . . . . . . . . . . . . . . . -86.37 51.68 2.29 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.682 0.753 . . . . 1.94 109.237 172.914 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 519' ' ' GLY . . . . . . . . . . . . . . . 139.95 106.0 0.65 Allowed Glycine 0 N--CA 1.443 -0.85 0 CA-C-N 114.833 -1.076 . . . . 0.98 110.653 -171.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 520' ' ' ARG . . . . . 0.417 HH11 ' HD3' ' A' ' 520' ' ' ARG . 16.9 mtm-85 -126.64 134.28 50.79 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.077 0.465 . . . . 2.86 110.929 179.026 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 521' ' ' VAL . . . . . 0.481 HG13 HD22 ' A' ' 599' ' ' LEU . 85.9 t -117.74 121.14 66.72 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.828 0 CA-C-N 115.708 -0.678 . . . . 1.14 109.894 165.155 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 522' ' ' VAL . . . . . 0.543 ' HB ' ' O ' ' A' ' 561' ' ' LEU . 27.0 t -120.12 121.97 67.2 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.87 0 N-CA-C 107.725 -1.213 . . . . 1.05 107.725 177.225 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 523' ' ' HIS . . . . . . . . . . . . . 37.1 t-80 -105.28 132.23 51.74 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-O 121.268 0.556 . . . . 0.57 111.008 -171.047 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 524' ' ' ILE . . . . . 0.419 HG12 HG12 ' A' ' 590' ' ' ILE . 28.0 mt -113.67 141.3 30.1 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.844 0 N-CA-C 108.594 -0.891 . . . . 1.06 108.594 177.523 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 525' ' ' CYS . . . . . 0.483 ' O ' ' HB2' ' A' ' 526' ' ' ASN . 1.2 p -143.77 166.21 25.52 Favored 'General case' 0 C--N 1.311 -1.075 0 C-N-CA 120.555 -0.458 . . . . 1.75 111.86 -175.586 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 526' ' ' ASN . . . . . 0.483 ' HB2' ' O ' ' A' ' 525' ' ' CYS . 93.9 m-20 85.77 26.47 0.06 Allowed 'General case' 0 N--CA 1.469 0.519 0 O-C-N 124.934 1.396 . . . . 0.28 110.409 178.158 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 527' ' ' LEU . . . . . 0.461 ' HB3' ' SG ' ' A' ' 532' ' ' CYS . 83.6 mt -85.4 124.79 71.2 Favored Pre-proline 0 C--N 1.322 -0.606 0 N-CA-C 108.794 -0.817 . . . . 1.04 108.794 178.9 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 528' ' ' PRO . . . . . 0.402 ' HD3' ' HA ' ' A' ' 527' ' ' LEU . 8.4 Cg_exo -70.5 134.76 27.13 Favored 'Trans proline' 0 N--CA 1.458 -0.606 0 C-N-CA 121.438 1.426 . . . . 0.5 111.861 -178.438 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 529' ' ' GLU . . . . . . . . . . . . . 28.7 tt0 -64.6 130.77 44.89 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.666 -0.697 . . . . 1.6 109.86 178.092 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 530' ' ' GLY . . . . . . . . . . . . . . . 89.95 4.07 72.65 Favored Glycine 0 N--CA 1.447 -0.591 0 C-N-CA 119.999 -1.096 . . . . 0.52 111.22 -173.319 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 531' ' ' SER . . . . . . . . . . . . . 16.6 m -143.9 5.9 1.36 Allowed 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.133 0.492 . . . . 1.49 110.015 -176.324 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 532' ' ' CYS . . . . . 0.461 ' SG ' ' HB3' ' A' ' 527' ' ' LEU . 56.0 m -91.76 88.9 6.86 Favored 'General case' 0 CA--C 1.513 -0.452 0 N-CA-C 109.023 -0.732 . . . . 0.25 109.023 -179.729 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 533' ' ' THR . . . . . 0.533 ' O ' HG21 ' A' ' 537' ' ' VAL . 32.2 p -99.67 152.24 20.3 Favored 'General case' 0 C--N 1.317 -0.839 0 C-N-CA 119.672 -0.811 . . . . 1.1 108.932 -179.458 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 534' ' ' GLU . . . . . 0.514 ' N ' HD13 ' A' ' 552' ' ' LEU . 41.4 mt-10 -65.83 -35.01 79.47 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 108.959 -0.756 . . . . 1.64 108.959 178.074 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 535' ' ' ASN . . . . . . . . . . . . . 6.0 m-20 -63.96 -46.69 83.52 Favored 'General case' 0 C--O 1.213 -0.852 0 CA-C-N 114.76 -1.109 . . . . 1.86 111.582 -178.768 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 536' ' ' ASP . . . . . . . . . . . . . 16.9 m-20 -69.05 -44.92 71.66 Favored 'General case' 0 N--CA 1.472 0.668 0 CA-C-N 118.505 0.593 . . . . 0.61 111.479 -173.645 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 537' ' ' VAL . . . . . 0.533 HG21 ' O ' ' A' ' 533' ' ' THR . 38.5 t -60.07 -47.65 91.06 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.729 0 CA-C-N 115.048 -0.978 . . . . 1.03 109.844 -179.271 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 538' ' ' ILE . . . . . 0.669 HD12 ' CG ' ' A' ' 550' ' ' TYR . 75.5 mt -68.04 -33.78 63.02 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.82 0 CA-C-N 115.015 -0.993 . . . . 1.06 111.331 176.555 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 539' ' ' ASN . . . . . 0.46 ' HA ' HD13 ' A' ' 615' ' ' ILE . 9.6 m120 -59.01 -26.37 64.49 Favored 'General case' 0 CA--C 1.513 -0.465 0 O-C-N 122.342 -0.224 . . . . 0.25 110.555 176.542 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 540' ' ' LEU . . . . . 0.404 HD12 HD11 ' A' ' 588' ' ' LEU . 85.2 mt -75.0 -41.03 60.29 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 109.865 -0.42 . . . . 1.11 109.865 173.526 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 541' ' ' GLY . . . . . 0.467 ' HA2' ' SD ' ' A' ' 572' ' ' MET . . . -67.42 -52.73 29.04 Favored Glycine 0 CA--C 1.524 0.653 0 N-CA-C 115.453 0.941 . . . . 0.19 115.453 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 542' ' ' LEU . . . . . 0.52 ' HA ' ' O ' ' A' ' 545' ' ' GLY . 45.4 mt -56.19 -45.19 99.94 Favored Pre-proline 0 C--N 1.321 -0.669 0 N-CA-C 115.208 1.559 . . . . 1.06 115.208 -167.61 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 543' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_exo -59.9 -26.64 82.91 Favored 'Trans proline' 0 C--N 1.346 0.445 0 C-N-CA 122.036 1.824 . . . . 0.25 113.169 -178.651 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 544' ' ' PHE . . . . . 0.441 ' HB2' ' HE1' ' A' ' 572' ' ' MET . 99.7 m-85 -99.89 -16.81 17.88 Favored 'General case' 0 C--N 1.332 -0.166 0 C-N-CA 120.947 -0.301 . . . . 0.38 111.54 177.753 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 545' ' ' GLY . . . . . 0.52 ' O ' ' HA ' ' A' ' 542' ' ' LEU . . . -178.69 151.87 10.82 Favored Glycine 0 C--O 1.226 -0.394 0 C-N-CA 120.595 -0.812 . . . . 0.44 112.261 179.196 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 546' ' ' LYS . . . . . . . . . . . . . 40.4 ttmt -66.27 128.0 34.41 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.97 0.414 . . . . 2.62 110.688 -178.626 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 547' ' ' VAL . . . . . 0.539 ' HB ' HG11 ' A' ' 608' ' ' VAL . 70.8 t -90.24 116.55 31.79 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-N 115.862 -0.608 . . . . 1.05 110.918 -179.218 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 548' ' ' THR . . . . . . . . . . . . . 26.0 p -95.04 -34.81 12.18 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.049 -0.523 . . . . 1.11 111.876 -178.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 549' ' ' ASN . . . . . 0.435 ' HB2' ' CB ' ' A' ' 562' ' ' GLU . 16.0 m120 -143.35 156.4 44.68 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.214 -0.448 . . . . 1.49 110.366 -177.845 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 550' ' ' TYR . . . . . 0.669 ' CG ' HD12 ' A' ' 538' ' ' ILE . 3.7 p90 -160.55 152.1 19.55 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.117 -0.492 . . . . 0.96 109.909 -177.61 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 551' ' ' ILE . . . . . 0.552 HG21 ' C2 ' ' B' ' 5' ' ' ' U' . 67.0 mt -144.92 127.13 9.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 N-CA-C 108.592 -0.892 . . . . 1.1 108.592 -177.314 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 552' ' ' LEU . . . . . 0.514 HD13 ' N ' ' A' ' 534' ' ' GLU . 21.9 mt -107.23 123.25 48.02 Favored 'General case' 0 C--N 1.318 -0.796 0 C-N-CA 120.159 -0.616 . . . . 1.17 111.197 -178.856 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 553' ' ' MET . . . . . 0.733 ' HE2' H5'' ' B' ' 4' ' ' ' U' . 9.9 mtp -110.07 79.24 1.19 Allowed 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 108.876 -0.787 . . . . 1.55 108.876 178.745 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 554' ' ' LYS . . . . . 0.431 ' HD2' ' HB2' ' A' ' 532' ' ' CYS . 22.6 mmtp -54.63 -28.76 49.15 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.24 -0.891 . . . . 1.63 112.747 175.112 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 555' ' ' SER . . . . . . . . . . . . . 63.3 p -69.13 -43.55 74.15 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 120.903 0.382 . . . . 0.7 111.169 -173.184 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 556' ' ' THR . . . . . 0.453 ' OG1' ' HE3' ' A' ' 553' ' ' MET . 51.1 p -100.76 4.14 42.75 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 112.227 0.454 . . . . 1.14 112.227 -176.149 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 557' ' ' ASN . . . . . . . . . . . . . 81.4 m-20 59.68 43.19 15.9 Favored 'General case' 0 N--CA 1.468 0.456 0 CA-C-O 121.709 0.766 . . . . 2.03 110.141 -175.425 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 558' ' ' GLN . . . . . . . . . . . . . 79.4 mt-30 -137.03 167.74 20.93 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 114.99 -1.005 . . . . 1.24 109.71 -177.038 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 559' ' ' ALA . . . . . . . . . . . . . . . -159.13 165.06 34.63 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.054 0.454 . . . . 1.04 111.379 176.729 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 560' ' ' PHE . . . . . 0.497 ' HZ ' HO2' ' B' ' 3' ' ' ' C' . 86.3 m-85 -119.59 146.72 45.26 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.226 -0.443 . . . . 0.46 110.89 176.067 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 561' ' ' LEU . . . . . 0.543 ' O ' ' HB ' ' A' ' 522' ' ' VAL . 51.3 tp -136.88 119.31 15.81 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.744 -0.662 . . . . 1.06 110.45 -178.091 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 562' ' ' GLU . . . . . 0.435 ' CB ' ' HB2' ' A' ' 549' ' ' ASN . 0.0 OUTLIER -102.96 136.7 42.3 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.249 0.547 . . . . 2.09 110.212 176.925 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 563' ' ' MET . . . . . 0.574 ' SD ' ' HA ' ' A' ' 569' ' ' ALA . 32.2 mtt -120.54 163.61 17.72 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 115.322 -0.854 . . . . 1.06 109.583 -171.876 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 564' ' ' ALA . . . . . . . . . . . . . . . -62.29 -43.02 99.79 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 118.308 0.504 . . . . 1.25 111.708 -174.355 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 565' ' ' TYR . . . . . . . . . . . . . 64.1 m-85 -136.08 158.87 43.37 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.193 -0.458 . . . . 1.39 110.583 -177.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 566' ' ' THR . . . . . . . . . . . . . 15.4 t -66.29 -26.9 67.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.976 -0.556 . . . . 1.24 110.816 -179.665 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 567' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -56.67 -31.77 64.75 Favored 'General case' 0 C--O 1.231 0.131 0 CA-C-N 116.101 -0.499 . . . . 0.89 110.739 176.158 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 568' ' ' ALA . . . . . 0.643 ' O ' ' HG3' ' A' ' 572' ' ' MET . . . -73.75 -41.91 61.85 Favored 'General case' 0 N--CA 1.449 -0.486 0 CA-C-N 116.124 -0.489 . . . . 1.08 110.075 -179.662 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 569' ' ' ALA . . . . . 0.574 ' HA ' ' SD ' ' A' ' 563' ' ' MET . . . -64.55 -45.34 87.54 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.033 -0.531 . . . . 1.0 111.263 -175.844 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 570' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -66.14 -35.93 81.79 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.17 -0.468 . . . . 1.72 110.202 -179.258 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 571' ' ' ALA . . . . . . . . . . . . . . . -67.46 -43.95 79.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.782 -0.644 . . . . 1.08 110.979 -179.635 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 572' ' ' MET . . . . . 0.643 ' HG3' ' O ' ' A' ' 568' ' ' ALA . 29.1 mtt -67.72 -42.95 81.11 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.469 -0.332 . . . . 1.05 110.82 -178.41 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 573' ' ' VAL . . . . . 0.584 ' O ' ' HG3' ' A' ' 577' ' ' GLN . 79.0 t -58.39 -47.06 88.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 N-CA-C 110.058 -0.349 . . . . 1.08 110.058 179.662 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 574' ' ' GLN . . . . . . . . . . . . . 86.5 mm-40 -61.55 -37.74 84.89 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.418 -0.356 . . . . 2.79 111.217 179.07 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 575' ' ' TYR . . . . . . . . . . . . . 83.5 t80 -68.98 -53.42 20.77 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.262 -0.426 . . . . 1.09 110.96 -178.275 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 576' ' ' TYR . . . . . 0.533 ' HD2' ' O ' ' A' ' 572' ' ' MET . 97.3 m-85 -73.53 -13.41 61.03 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 112.872 0.693 . . . . 1.03 112.872 -174.829 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 577' ' ' GLN . . . . . 0.584 ' HG3' ' O ' ' A' ' 573' ' ' VAL . 25.5 mt-30 -71.77 -42.87 66.65 Favored 'General case' 0 C--N 1.324 -0.506 0 C-N-CA 120.423 -0.511 . . . . 2.14 109.844 172.657 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 578' ' ' GLU . . . . . . . . . . . . . 10.2 mm-40 -88.53 -38.27 15.06 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.009 -0.541 . . . . 2.14 111.031 -178.848 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 579' ' ' LYS . . . . . . . . . . . . . 56.4 mtpt -129.26 87.55 53.45 Favored Pre-proline 0 C--N 1.327 -0.407 0 CA-C-O 120.797 0.332 . . . . 2.95 110.501 176.625 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 580' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_endo -70.51 161.39 46.2 Favored 'Trans proline' 0 N--CA 1.463 -0.277 0 C-N-CA 122.626 2.217 . . . . 0.51 112.227 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 581' ' ' ALA . . . . . 0.434 ' O ' ' HG ' ' A' ' 588' ' ' LEU . . . -92.68 137.25 32.53 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 109.101 -0.703 . . . . 1.09 109.101 177.507 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 582' ' ' ILE . . . . . . . . . . . . . 51.3 mt -104.3 124.16 58.6 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.735 0 CA-C-O 120.886 0.374 . . . . 1.19 110.981 -176.54 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 583' ' ' ILE . . . . . . . . . . . . . 29.5 mm -125.47 111.65 28.15 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 N-CA-C 108.89 -0.781 . . . . 1.21 108.89 173.372 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 584' ' ' ASN . . . . . . . . . . . . . 95.1 m-20 57.6 34.42 24.51 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-O 121.407 0.622 . . . . 1.34 110.542 -178.631 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 585' ' ' GLY . . . . . . . . . . . . . . . 84.75 6.0 85.87 Favored Glycine 0 N--CA 1.445 -0.758 0 CA-C-N 115.48 -0.782 . . . . 0.51 113.412 177.558 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 586' ' ' GLU . . . . . . . . . . . . . 37.5 mm-40 -101.24 124.62 47.23 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 117.132 0.466 . . . . 1.79 110.423 177.761 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 587' ' ' LYS . . . . . . . . . . . . . 66.9 mttm -76.42 119.56 20.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.126 -0.488 . . . . 2.25 110.838 173.747 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 588' ' ' LEU . . . . . 0.434 ' HG ' ' O ' ' A' ' 581' ' ' ALA . 46.9 mt -83.38 138.63 33.42 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.234 -0.439 . . . . 1.03 111.023 -178.654 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 589' ' ' LEU . . . . . . . . . . . . . 65.3 tp -113.08 114.77 27.3 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.859 -0.61 . . . . 1.13 110.834 -179.432 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 590' ' ' ILE . . . . . 0.455 HD12 ' CD2' ' A' ' 576' ' ' TYR . 22.7 mt -102.81 125.21 57.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 N-CA-C 110.142 -0.318 . . . . 1.08 110.142 175.084 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 591' ' ' ARG . . . . . . . . . . . . . 61.5 mtp180 -147.38 165.4 30.32 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 109.835 -0.432 . . . . 3.18 109.835 -176.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 592' ' ' MET . . . . . . . . . . . . . 62.6 mtt -82.42 143.84 30.9 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 109.691 -0.485 . . . . 1.13 109.691 177.579 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 593' ' ' SER . . . . . . . . . . . . . 47.6 t -85.55 137.8 32.63 Favored 'General case' 0 C--O 1.236 0.382 0 CA-C-O 121.062 0.458 . . . . 1.65 111.412 -176.149 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 594' ' ' THR . . . . . . . . . . . . . 23.2 p -91.23 -16.4 27.7 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 114.843 -1.072 . . . . 1.14 111.914 -179.227 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 595' ' ' ARG . . . . . 0.626 ' HD3' " H2'" ' B' ' 3' ' ' ' C' . 64.5 mtp180 -100.68 -28.03 13.06 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 112.731 0.641 . . . . 3.37 112.731 -168.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 596' ' ' TYR . . . . . . . . . . . . . 90.7 m-85 -127.43 147.64 50.29 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 121.068 0.461 . . . . 1.15 111.685 -177.297 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 597' ' ' LYS . . . . . 0.473 ' N ' ' HD2' ' A' ' 597' ' ' LYS . 11.7 mptt -107.66 -13.9 14.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.607 -0.724 . . . . 2.63 111.828 178.826 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 598' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -143.24 150.77 39.76 Favored 'General case' 0 C--N 1.326 -0.441 0 C-N-CA 120.65 -0.42 . . . . 0.95 110.968 178.7 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 599' ' ' LEU . . . . . 0.481 HD22 HG13 ' A' ' 521' ' ' VAL . 37.9 mt -102.41 122.75 44.91 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.594 -0.73 . . . . 1.18 111.462 177.101 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 600' ' ' GLN . . . . . . . . . . . . . 24.7 tt0 -103.71 123.57 47.27 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.361 -0.836 . . . . 1.65 110.441 178.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 601' ' ' LEU . . . . . 0.65 ' HA ' ' O4 ' ' B' ' 5' ' ' ' U' . 54.9 mt -82.98 97.87 8.95 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.942 0.401 . . . . 1.23 111.304 179.849 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 602' ' ' LYS . . . . . 0.601 ' HE2' ' O2 ' ' B' ' 4' ' ' ' U' . 52.2 mtmt -81.82 -16.61 50.29 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.15 0.5 . . . . 2.22 110.298 173.833 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 603' ' ' LYS . . . . . . . . . . . . . 34.4 mmtp -117.99 153.12 51.04 Favored Pre-proline 0 C--N 1.324 -0.541 0 CA-C-N 115.981 -0.554 . . . . 2.26 110.062 -178.452 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 604' ' ' PRO . . . . . . . . . . . . . 29.8 Cg_endo -63.24 148.78 92.74 Favored 'Trans proline' 0 C--N 1.346 0.43 0 C-N-CA 122.707 2.271 . . . . 1.26 112.276 -179.758 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 605' ' ' GLY . . . . . . . . . . . . . . . -117.26 128.86 8.05 Favored Glycine 0 N--CA 1.439 -1.165 0 C-N-CA 120.802 -0.713 . . . . 1.23 112.271 -177.913 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 606' ' ' LYS . . . . . . . . . . . . . 48.3 mtmt -72.14 156.54 39.07 Favored 'General case' 0 C--N 1.317 -0.835 0 N-CA-C 108.85 -0.796 . . . . 3.96 108.85 174.332 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 607' ' ' ASN . . . . . . . . . . . . . 49.0 t30 -58.33 119.97 7.89 Favored 'General case' 0 C--N 1.327 -0.39 0 C-N-CA 120.514 -0.474 . . . . 1.8 109.847 173.823 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 608' ' ' VAL . . . . . 0.539 HG11 ' HB ' ' A' ' 547' ' ' VAL . 72.7 t -83.19 -21.04 9.06 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.713 0 CA-C-N 115.801 -0.636 . . . . 1.07 110.635 -175.241 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 609' ' ' ALA . . . . . . . . . . . . . . . -62.09 -33.05 73.7 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.303 0.573 . . . . 1.27 110.364 172.829 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 610' ' ' ALA . . . . . . . . . . . . . . . -66.02 -29.66 70.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.808 -0.633 . . . . 1.14 109.868 176.389 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 611' ' ' ILE . . . . . . . . . . . . . 74.5 mt -70.6 -30.11 41.11 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 115.607 -0.724 . . . . 1.03 109.466 178.602 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 612' ' ' ILE . . . . . 0.412 ' CG1' HD13 ' A' ' 542' ' ' LEU . 69.8 mt -60.92 -39.49 82.21 Favored 'Isoleucine or valine' 0 C--O 1.235 0.296 0 CA-C-O 121.218 0.532 . . . . 1.11 109.721 171.459 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 613' ' ' GLN . . . . . . . . . . . . . 30.5 mm-40 -63.95 -31.51 72.71 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.719 -0.673 . . . . 3.02 110.303 177.326 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 614' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -65.6 -45.47 83.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.793 -0.64 . . . . 1.95 110.254 177.214 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 615' ' ' ILE . . . . . 0.466 ' CD1' ' HB2' ' A' ' 542' ' ' LEU . 85.6 mt -62.26 -46.14 97.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 115.932 -0.577 . . . . 1.08 110.823 178.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 616' ' ' HIS . . . . . . . . . . . . . 48.7 m170 -63.27 -34.59 78.01 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.736 -0.666 . . . . 1.73 110.912 -179.822 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 617' ' ' SER . . . . . . . . . . . . . 64.8 m -69.3 -25.19 64.11 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.315 -0.402 . . . . 1.77 110.721 176.601 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 618' ' ' GLN . . . . . . . . . . . . . 78.6 mt-30 71.17 -73.48 0.1 Allowed 'General case' 0 N--CA 1.465 0.285 0 CA-C-N 115.68 -0.691 . . . . 5.45 111.119 178.491 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 619' ' ' ARG . . . . . . . . . . . . . 80.1 mtp180 59.05 39.77 22.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.223 0.535 . . . . 8.54 110.755 -179.676 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 620' ' ' GLU . . . . . . . . . . . . . 20.9 mm-40 -73.04 134.05 44.46 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.871 -0.604 . . . . 7.92 109.779 178.773 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 621' ' ' ARG . . . . . . . . . . . . . 81.1 mtp180 . . . . . 0 C--O 1.248 1.017 0 CA-C-O 118.752 -0.642 . . . . 11.52 110.367 -177.628 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 1' ' ' ADN . . . . . 0.576 " H3'" " O4'" ' B' ' 2' ' ' ' U' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 2' ' ' ' U' . . . . . 0.576 " O4'" " H3'" ' B' ' 1' ' ' ADN . . . . . . . . 0 O5'--C5' 1.427 -0.82 0 C4'-C3'-C2' 104.218 1.518 . 0.0 '__' . 2.99 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 3' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.932 0 C4'-C3'-C2' 104.59 1.89 . 0.0 OUTLIER gamma 1.58 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 4' ' ' ' U' . . . . . 0.533 " H4'" " C5'" ' B' ' 5' ' ' ' U' . . . . . . . . 0 O5'--C5' 1.425 -0.921 0 C3'-C2'-C1' 100.753 -0.829 . 0.0 OUTLIER gamma 1.21 . . . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 5' ' ' ' U' . . . . . 0.773 " H4'" ' HA ' ' A' ' 553' ' ' MET . . . . . . . . 0 O5'--C5' 1.424 -0.994 0 C4'-C3'-C2' 104.568 1.868 . 0.0 OUTLIER alpha 1.33 . . . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 6' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.428 -0.76 0 C3'-C2'-C1' 100.503 -1.108 . 0.0 OUTLIER gamma 4.58 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 510' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.85 0 N-CA-C 111.768 -0.533 . . . . 9.27 111.768 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 511' ' ' ALA . . . . . . . . . . . . . . . 61.55 34.89 17.63 Favored 'General case' 0 N--CA 1.463 0.222 0 C-N-CA 122.694 0.398 . . . . 6.96 111.433 178.884 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 512' ' ' MET . . . . . . . . . . . . . 49.8 ttm -104.25 -63.95 1.15 Allowed 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.248 -0.433 . . . . 6.68 110.256 179.521 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 513' ' ' ALA . . . . . . . . . . . . . . . -102.61 84.95 2.5 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.213 -0.449 . . . . 4.66 109.909 178.858 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 514' ' ' GLN . . . . . . . . . . . . . 47.1 mt-30 -99.88 -15.95 18.19 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.947 -0.57 . . . . 2.88 111.548 -175.88 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 515' ' ' ARG . . . . . . . . . . . . . 68.3 mtp180 65.69 79.72 0.24 Allowed 'General case' 0 N--CA 1.467 0.384 0 O-C-N 123.574 0.546 . . . . 4.64 111.38 -176.526 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 516' ' ' LYS . . . . . . . . . . . . . 23.4 mmtp -84.34 -8.24 59.06 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.7 -0.682 . . . . 2.38 111.032 -178.609 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 517' ' ' GLY . . . . . . . . . . . . . . . -60.24 109.31 2.21 Favored Glycine 0 N--CA 1.449 -0.436 0 CA-C-N 115.803 -0.635 . . . . 2.04 112.768 -177.835 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 518' ' ' ALA . . . . . . . . . . . . . . . 58.64 27.68 16.13 Favored 'General case' 0 N--CA 1.464 0.241 0 C-N-CA 123.099 0.56 . . . . 1.94 111.772 178.888 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 519' ' ' GLY . . . . . . . . . . . . . . . -172.57 94.79 0.1 Allowed Glycine 0 N--CA 1.445 -0.735 0 C-N-CA 120.627 -0.796 . . . . 0.98 111.94 -179.884 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 520' ' ' ARG . . . . . . . . . . . . . 8.6 mtm-85 -115.6 135.74 53.77 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 121.075 0.464 . . . . 2.86 110.54 178.552 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 521' ' ' VAL . . . . . 0.469 HG11 HD21 ' A' ' 599' ' ' LEU . 86.2 t -117.36 121.6 68.0 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.007 0 CA-C-N 115.664 -0.698 . . . . 1.14 110.168 169.355 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 522' ' ' VAL . . . . . 0.46 ' HB ' ' O ' ' A' ' 561' ' ' LEU . 23.8 t -120.31 121.03 64.61 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.856 0 N-CA-C 107.724 -1.213 . . . . 1.05 107.724 178.306 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 523' ' ' HIS . . . . . 0.442 ' HB2' ' OG ' ' A' ' 593' ' ' SER . 55.1 t-80 -105.75 134.62 48.58 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-O 121.163 0.506 . . . . 0.57 110.747 -172.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 524' ' ' ILE . . . . . 0.429 HG12 HG12 ' A' ' 590' ' ' ILE . 28.1 mt -113.68 140.07 35.97 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.877 0 N-CA-C 108.431 -0.951 . . . . 1.06 108.431 177.488 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 525' ' ' CYS . . . . . 0.533 ' SG ' ' HB3' ' A' ' 589' ' ' LEU . 4.1 p -140.0 166.22 25.23 Favored 'General case' 0 C--N 1.314 -0.943 0 C-N-CA 120.503 -0.479 . . . . 1.75 111.669 -175.921 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 526' ' ' ASN . . . . . 0.494 ' HB2' ' O ' ' A' ' 525' ' ' CYS . 92.9 m-20 86.73 28.0 0.04 OUTLIER 'General case' 0 N--CA 1.471 0.593 0 O-C-N 124.991 1.432 . . . . 0.28 109.984 177.316 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 527' ' ' LEU . . . . . 0.543 ' HB3' ' SG ' ' A' ' 532' ' ' CYS . 81.0 mt -90.1 123.77 65.05 Favored Pre-proline 0 C--N 1.323 -0.57 0 CA-C-N 115.274 -0.875 . . . . 1.04 109.057 177.938 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 528' ' ' PRO . . . . . 0.407 ' HD3' ' HA ' ' A' ' 527' ' ' LEU . 8.3 Cg_exo -73.05 134.55 21.55 Favored 'Trans proline' 0 N--CA 1.46 -0.489 0 C-N-CA 121.733 1.622 . . . . 0.5 111.978 179.773 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 529' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -65.53 129.34 39.4 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 109.348 -0.612 . . . . 1.6 109.348 178.249 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 530' ' ' GLY . . . . . . . . . . . . . . . 94.88 4.2 61.79 Favored Glycine 0 N--CA 1.448 -0.523 0 C-N-CA 120.176 -1.011 . . . . 0.52 110.95 -172.569 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 531' ' ' SER . . . . . . . . . . . . . 64.8 m -150.36 9.81 0.65 Allowed 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.13 0.49 . . . . 1.49 110.309 -178.499 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 532' ' ' CYS . . . . . 0.543 ' SG ' ' HB3' ' A' ' 527' ' ' LEU . 41.4 m -92.21 85.95 5.61 Favored 'General case' 0 CA--C 1.513 -0.449 0 N-CA-C 108.51 -0.922 . . . . 0.25 108.51 177.115 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 533' ' ' THR . . . . . 0.508 ' O ' HG21 ' A' ' 537' ' ' VAL . 28.3 p -96.19 152.91 18.12 Favored 'General case' 0 N--CA 1.441 -0.89 0 C-N-CA 119.601 -0.84 . . . . 1.1 108.848 -178.246 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 534' ' ' GLU . . . . . 0.532 ' HA ' HD13 ' A' ' 552' ' ' LEU . 43.9 mt-10 -65.11 -34.79 79.24 Favored 'General case' 0 C--N 1.317 -0.837 0 N-CA-C 108.671 -0.863 . . . . 1.64 108.671 176.562 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 535' ' ' ASN . . . . . . . . . . . . . 4.6 m-20 -63.94 -48.29 77.11 Favored 'General case' 0 C--O 1.211 -0.964 0 CA-C-N 114.629 -1.169 . . . . 1.86 111.513 -176.68 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 536' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -69.88 -45.28 68.01 Favored 'General case' 0 N--CA 1.475 0.78 0 CA-C-N 118.604 0.638 . . . . 0.61 111.411 -173.878 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 537' ' ' VAL . . . . . 0.508 HG21 ' O ' ' A' ' 533' ' ' THR . 39.2 t -59.77 -47.89 89.64 Favored 'Isoleucine or valine' 0 C--O 1.243 0.712 0 CA-C-O 122.269 1.033 . . . . 1.03 110.039 -179.453 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 538' ' ' ILE . . . . . 0.591 HD12 ' CG ' ' A' ' 550' ' ' TYR . 72.6 mt -68.51 -32.25 54.54 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.904 0 CA-C-N 115.013 -0.994 . . . . 1.06 111.409 176.129 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 539' ' ' ASN . . . . . 0.445 ' HA ' HD13 ' A' ' 615' ' ' ILE . 10.1 m120 -57.38 -27.88 62.7 Favored 'General case' 0 CA--C 1.513 -0.479 0 N-CA-C 109.98 -0.378 . . . . 0.25 109.98 175.495 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 540' ' ' LEU . . . . . 0.42 HD11 HD11 ' A' ' 588' ' ' LEU . 76.6 mt -75.35 -41.61 56.19 Favored 'General case' 0 C--N 1.32 -0.675 0 C-N-CA 120.722 -0.391 . . . . 1.11 109.993 175.366 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 541' ' ' GLY . . . . . 0.586 ' HA2' ' SD ' ' A' ' 572' ' ' MET . . . -67.3 -51.87 35.12 Favored Glycine 0 CA--C 1.528 0.851 0 N-CA-C 116.034 1.174 . . . . 0.19 116.034 -179.02 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 542' ' ' LEU . . . . . 0.52 ' HB2' ' CD1' ' A' ' 615' ' ' ILE . 62.1 mt -59.98 -40.91 82.01 Favored Pre-proline 0 C--N 1.318 -0.774 0 N-CA-C 115.443 1.645 . . . . 1.06 115.443 -167.768 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 543' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_exo -60.11 -22.96 71.92 Favored 'Trans proline' 0 CA--C 1.534 0.512 0 C-N-CA 121.787 1.658 . . . . 0.25 113.574 -178.656 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 544' ' ' PHE . . . . . 0.408 ' HB2' ' HE1' ' A' ' 572' ' ' MET . 92.6 m-85 -104.41 -13.52 16.05 Favored 'General case' 0 C--O 1.234 0.262 0 O-C-N 122.07 -0.394 . . . . 0.38 111.941 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 545' ' ' GLY . . . . . 0.469 ' O ' ' HA ' ' A' ' 542' ' ' LEU . . . -178.04 -174.63 44.52 Favored Glycine 0 C--O 1.225 -0.453 0 C-N-CA 120.573 -0.822 . . . . 0.44 112.292 -177.29 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 546' ' ' LYS . . . . . . . . . . . . . 63.2 tttp -95.7 122.97 39.03 Favored 'General case' 0 C--N 1.321 -0.659 0 O-C-N 122.304 -0.527 . . . . 2.62 110.107 -177.443 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 547' ' ' VAL . . . . . 0.515 ' HB ' HG11 ' A' ' 608' ' ' VAL . 77.2 t -85.18 114.26 24.98 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-O 120.915 0.388 . . . . 1.05 109.973 175.72 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 548' ' ' THR . . . . . . . . . . . . . 25.0 p -98.04 -35.02 10.57 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.993 -0.548 . . . . 1.11 111.598 179.384 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 549' ' ' ASN . . . . . 0.413 ' HB2' ' CB ' ' A' ' 562' ' ' GLU . 17.0 m120 -141.87 153.58 44.54 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.082 -0.508 . . . . 1.49 109.751 -178.917 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 550' ' ' TYR . . . . . 0.591 ' CG ' HD12 ' A' ' 538' ' ' ILE . 3.3 p90 -157.03 151.93 25.9 Favored 'General case' 0 C--N 1.318 -0.761 0 N-CA-C 109.451 -0.574 . . . . 0.96 109.451 -178.692 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 551' ' ' ILE . . . . . 0.657 HG21 ' C2 ' ' B' ' 5' ' ' ' U' . 66.7 mt -141.35 123.73 14.67 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 N-CA-C 108.349 -0.982 . . . . 1.1 108.349 -177.4 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 552' ' ' LEU . . . . . 0.532 HD13 ' HA ' ' A' ' 534' ' ' GLU . 19.7 mt -107.23 119.24 38.84 Favored 'General case' 0 C--N 1.315 -0.897 0 C-N-CA 120.192 -0.603 . . . . 1.17 111.449 -177.493 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 553' ' ' MET . . . . . 0.773 ' HA ' " H4'" ' B' ' 5' ' ' ' U' . 22.4 mtp -109.94 79.51 1.22 Allowed 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 108.708 -0.849 . . . . 1.55 108.708 -178.09 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 554' ' ' LYS . . . . . 0.495 ' HD2' ' HB2' ' A' ' 532' ' ' CYS . 20.7 mmtp -53.98 -31.13 49.86 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 114.824 -1.08 . . . . 1.63 112.861 176.062 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 555' ' ' SER . . . . . . . . . . . . . 66.8 p -70.14 -45.34 66.99 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 120.899 0.38 . . . . 0.7 111.63 -172.797 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 556' ' ' THR . . . . . 0.451 ' O ' ' HG3' ' A' ' 558' ' ' GLN . 44.8 p -98.72 6.94 46.62 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.398 -0.365 . . . . 1.14 111.797 -174.508 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 557' ' ' ASN . . . . . . . . . . . . . 18.7 m120 59.95 39.8 19.71 Favored 'General case' 0 C--O 1.237 0.426 0 CA-C-O 121.642 0.734 . . . . 2.03 110.252 -177.828 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 558' ' ' GLN . . . . . 0.451 ' HG3' ' O ' ' A' ' 556' ' ' THR . 41.9 mt-30 -135.36 166.39 23.25 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.128 -0.942 . . . . 1.24 109.972 -176.033 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 559' ' ' ALA . . . . . . . . . . . . . . . -159.1 164.19 35.53 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.922 0.392 . . . . 1.04 111.177 174.807 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 560' ' ' PHE . . . . . 0.531 ' HB2' ' HB ' ' A' ' 551' ' ' ILE . 93.9 m-85 -120.0 148.11 43.96 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.235 -0.439 . . . . 0.46 110.619 176.277 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 561' ' ' LEU . . . . . 0.46 ' O ' ' HB ' ' A' ' 522' ' ' VAL . 50.2 tp -136.9 118.99 15.41 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.769 -0.65 . . . . 1.06 110.047 -178.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 562' ' ' GLU . . . . . 0.413 ' CB ' ' HB2' ' A' ' 549' ' ' ASN . 0.2 OUTLIER -100.93 135.9 41.65 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.234 0.54 . . . . 2.09 109.99 177.586 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 563' ' ' MET . . . . . 0.665 ' SD ' ' HA ' ' A' ' 569' ' ' ALA . 34.0 mtt -124.15 142.37 51.28 Favored 'General case' 0 C--N 1.315 -0.913 0 CA-C-N 115.154 -0.93 . . . . 1.06 108.789 -172.947 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 564' ' ' ALA . . . . . . . . . . . . . . . -59.88 -26.86 66.21 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 112.69 0.626 . . . . 1.25 112.69 -168.683 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 565' ' ' TYR . . . . . . . . . . . . . 89.5 m-85 -141.2 155.7 46.02 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.208 0.528 . . . . 1.39 110.99 179.297 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 566' ' ' THR . . . . . . . . . . . . . 14.7 t -64.82 -26.89 68.53 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.278 -0.873 . . . . 1.24 110.699 -179.207 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 567' ' ' GLU . . . . . 0.416 ' HA ' ' OE1' ' A' ' 570' ' ' GLN . 6.4 pt-20 -57.91 -33.29 68.61 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-N 115.934 -0.575 . . . . 0.89 111.005 177.018 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 568' ' ' ALA . . . . . 0.655 ' O ' ' HG3' ' A' ' 572' ' ' MET . . . -73.78 -43.6 58.45 Favored 'General case' 0 N--CA 1.449 -0.495 0 CA-C-N 115.963 -0.562 . . . . 1.08 110.301 -177.669 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 569' ' ' ALA . . . . . 0.665 ' HA ' ' SD ' ' A' ' 563' ' ' MET . . . -62.02 -45.2 94.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.88 -0.6 . . . . 1.0 111.25 -175.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 570' ' ' GLN . . . . . 0.416 ' OE1' ' HA ' ' A' ' 567' ' ' GLU . 4.9 pt20 -67.54 -38.78 84.69 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.265 -0.425 . . . . 1.72 110.835 -178.261 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 571' ' ' ALA . . . . . . . . . . . . . . . -64.64 -44.25 91.06 Favored 'General case' 0 N--CA 1.453 -0.296 0 CA-C-N 116.275 -0.42 . . . . 1.08 111.185 -177.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 572' ' ' MET . . . . . 0.655 ' HG3' ' O ' ' A' ' 568' ' ' ALA . 26.1 mtt -68.44 -43.77 76.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.233 -0.439 . . . . 1.05 110.617 -178.24 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 573' ' ' VAL . . . . . 0.679 ' O ' ' HG2' ' A' ' 577' ' ' GLN . 71.6 t -58.68 -46.76 90.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 N-CA-C 110.049 -0.352 . . . . 1.08 110.049 178.629 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 574' ' ' GLN . . . . . . . . . . . . . 99.2 mt-30 -60.97 -37.08 81.19 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.933 0.396 . . . . 2.79 110.971 179.331 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 575' ' ' TYR . . . . . . . . . . . . . 78.3 t80 -69.45 -53.83 17.33 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.205 -0.452 . . . . 1.09 111.167 -178.485 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 576' ' ' TYR . . . . . 0.445 ' HD2' ' O ' ' A' ' 572' ' ' MET . 97.0 m-85 -76.68 -13.29 60.06 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 113.089 0.774 . . . . 1.03 113.089 -173.661 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 577' ' ' GLN . . . . . 0.679 ' HG2' ' O ' ' A' ' 573' ' ' VAL . 82.1 mm-40 -68.28 -42.03 80.13 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 109.275 -0.639 . . . . 2.14 109.275 171.821 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 578' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -88.17 -38.49 15.29 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.893 -0.594 . . . . 2.14 111.467 178.508 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 579' ' ' LYS . . . . . . . . . . . . . 62.9 mttp -130.74 84.39 58.79 Favored Pre-proline 0 C--N 1.327 -0.397 0 CA-C-O 120.7 0.286 . . . . 2.95 110.779 179.525 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 580' ' ' PRO . . . . . . . . . . . . . 48.2 Cg_endo -69.67 161.37 46.16 Favored 'Trans proline' 0 C--O 1.233 0.234 0 C-N-CA 122.845 2.363 . . . . 0.51 112.113 179.232 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 581' ' ' ALA . . . . . . . . . . . . . . . -92.32 140.33 29.71 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.278 -0.419 . . . . 1.09 109.959 -178.251 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 582' ' ' ILE . . . . . . . . . . . . . 45.1 mt -100.14 124.41 53.59 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.769 0 CA-C-O 120.862 0.363 . . . . 1.19 111.762 -175.15 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 583' ' ' ILE . . . . . . . . . . . . . 33.2 mm -132.14 115.38 26.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 115.841 -0.618 . . . . 1.21 109.368 173.456 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 584' ' ' ASN . . . . . . . . . . . . . 83.1 m-20 56.8 33.35 22.89 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-O 121.093 0.473 . . . . 1.34 110.764 -178.294 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 585' ' ' GLY . . . . . . . . . . . . . . . 83.39 5.54 88.57 Favored Glycine 0 N--CA 1.447 -0.63 0 CA-C-N 115.761 -0.654 . . . . 0.51 113.258 176.827 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 586' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -110.68 127.92 55.49 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 117.025 0.413 . . . . 1.79 110.895 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 587' ' ' LYS . . . . . . . . . . . . . 32.2 mmtp -72.73 123.25 22.92 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.509 -0.768 . . . . 2.25 111.236 179.19 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 588' ' ' LEU . . . . . 0.42 HD11 HD11 ' A' ' 540' ' ' LEU . 47.3 mt -81.6 134.3 35.48 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 120.885 0.374 . . . . 1.03 110.598 178.907 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 589' ' ' LEU . . . . . 0.533 ' HB3' ' SG ' ' A' ' 525' ' ' CYS . 46.4 tp -112.85 113.46 25.55 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.869 -0.605 . . . . 1.13 110.896 -176.667 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 590' ' ' ILE . . . . . 0.432 HD13 ' CD2' ' A' ' 576' ' ' TYR . 17.2 mt -100.76 127.45 53.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.504 -0.316 . . . . 1.08 110.302 177.483 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 591' ' ' ARG . . . . . . . . . . . . . 18.5 mtp180 -147.36 162.61 38.62 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-N 116.407 -0.36 . . . . 3.18 110.595 -177.356 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 592' ' ' MET . . . . . . . . . . . . . 63.9 mtt -83.84 133.34 34.75 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 109.871 -0.418 . . . . 1.13 109.871 176.733 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 593' ' ' SER . . . . . 0.442 ' OG ' ' HB2' ' A' ' 523' ' ' HIS . 69.7 m -77.29 135.31 38.41 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.726 0.774 . . . . 1.65 112.366 -175.141 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 594' ' ' THR . . . . . . . . . . . . . 17.5 p -89.52 -15.89 31.95 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 114.707 -1.133 . . . . 1.14 111.624 -179.591 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 595' ' ' ARG . . . . . . . . . . . . . 60.7 mtp180 -101.65 -28.33 12.56 Favored 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 112.867 0.691 . . . . 3.37 112.867 -170.524 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 596' ' ' TYR . . . . . . . . . . . . . 71.3 m-85 -126.19 141.99 51.7 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.254 0.55 . . . . 1.15 112.225 -175.652 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 597' ' ' LYS . . . . . 0.456 ' N ' ' HD2' ' A' ' 597' ' ' LYS . 0.5 OUTLIER -110.02 -6.35 15.18 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 114.913 -1.04 . . . . 2.63 111.489 177.69 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 598' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -142.0 151.38 42.43 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.033 0.444 . . . . 0.95 110.996 -176.334 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 599' ' ' LEU . . . . . 0.469 HD21 HG11 ' A' ' 521' ' ' VAL . 54.0 mt -123.65 121.19 34.91 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.368 -0.833 . . . . 1.18 110.159 177.642 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 600' ' ' GLN . . . . . . . . . . . . . 26.9 tt0 -111.87 123.94 51.32 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 116.12 -0.491 . . . . 1.65 109.877 177.719 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 601' ' ' LEU . . . . . 0.559 ' HA ' ' O4 ' ' B' ' 5' ' ' ' U' . 48.2 mt -75.9 90.06 2.94 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.973 0.416 . . . . 1.23 110.824 -179.685 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 602' ' ' LYS . . . . . . . . . . . . . 93.9 mttt -73.77 -13.76 61.0 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.866 -0.606 . . . . 2.22 110.538 178.36 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 603' ' ' LYS . . . . . . . . . . . . . 34.7 mmtp -122.41 155.61 61.97 Favored Pre-proline 0 C--N 1.325 -0.491 0 CA-C-N 115.862 -0.608 . . . . 2.26 109.82 -179.64 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 604' ' ' PRO . . . . . . . . . . . . . 19.3 Cg_endo -59.08 141.86 98.67 Favored 'Trans proline' 0 C--N 1.348 0.506 0 C-N-CA 122.832 2.354 . . . . 1.26 112.655 179.688 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 605' ' ' GLY . . . . . . . . . . . . . . . -129.4 117.79 2.49 Favored Glycine 0 N--CA 1.444 -0.797 0 CA-C-N 115.753 -0.658 . . . . 1.23 111.662 -178.774 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 606' ' ' LYS . . . . . . . . . . . . . 22.9 pttm -72.3 167.52 20.24 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.632 0.253 . . . . 3.96 110.561 -179.721 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 607' ' ' ASN . . . . . . . . . . . . . 25.5 t-20 -58.09 130.36 46.25 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.166 0.508 . . . . 1.8 111.007 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 608' ' ' VAL . . . . . 0.517 HG12 HG22 ' A' ' 538' ' ' ILE . 73.6 t -91.46 -23.67 5.77 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 CA-C-N 115.591 -0.731 . . . . 1.07 111.302 -175.084 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 609' ' ' ALA . . . . . . . . . . . . . . . -60.46 -33.2 72.22 Favored 'General case' 0 C--O 1.237 0.414 0 CA-C-O 121.411 0.624 . . . . 1.27 110.99 176.463 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 610' ' ' ALA . . . . . . . . . . . . . . . -63.31 -28.58 70.11 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.813 -0.63 . . . . 1.14 110.35 176.377 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 611' ' ' ILE . . . . . 0.4 ' O ' HG13 ' A' ' 615' ' ' ILE . 76.7 mt -71.67 -29.33 33.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 115.773 -0.648 . . . . 1.03 109.711 178.289 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 612' ' ' ILE . . . . . 0.498 ' CG1' HD13 ' A' ' 542' ' ' LEU . 65.0 mt -60.44 -43.53 94.31 Favored 'Isoleucine or valine' 0 C--O 1.233 0.236 0 N-CA-C 109.561 -0.533 . . . . 1.11 109.561 172.218 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 613' ' ' GLN . . . . . . . . . . . . . 26.1 mm-40 -64.38 -32.25 73.79 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.455 -0.793 . . . . 3.02 109.854 177.207 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 614' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -66.09 -43.75 86.42 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.062 -0.972 . . . . 1.95 110.445 178.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 615' ' ' ILE . . . . . 0.52 ' CD1' ' HB2' ' A' ' 542' ' ' LEU . 85.3 mt -62.69 -47.7 91.64 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 115.981 -0.554 . . . . 1.08 110.736 177.382 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 616' ' ' HIS . . . . . . . . . . . . . 61.8 m170 -64.74 -35.41 80.98 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.448 -0.796 . . . . 1.73 111.226 -178.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 617' ' ' SER . . . . . . . . . . . . . 33.8 t -74.6 -36.09 62.97 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.729 0.3 . . . . 1.77 111.16 179.446 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 618' ' ' GLN . . . . . . . . . . . . . 52.3 mt-30 66.71 15.42 10.12 Favored 'General case' 0 N--CA 1.469 0.504 0 CA-C-N 115.626 -0.715 . . . . 5.45 111.66 179.19 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 619' ' ' ARG . . . . . . . . . . . . . 43.7 mtp-105 -108.53 97.42 7.09 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.988 -0.551 . . . . 8.54 109.889 177.677 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 620' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -78.82 66.68 4.36 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.685 0.755 . . . . 7.92 110.531 -178.163 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 621' ' ' ARG . . . . . . . . . . . . . 19.0 ttm180 . . . . . 0 C--O 1.249 1.073 0 CA-C-N 115.54 -0.755 . . . . 11.52 110.063 -178.144 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 1' ' ' ADN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 2' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.914 0 C4'-C3'-C2' 103.688 0.988 . 0.0 '__' . 2.99 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 3' ' ' ' C' . . . . . 0.566 " H4'" ' HE1' ' A' ' 553' ' ' MET . . . . . . . . 0 O5'--C5' 1.425 -0.962 0 C4'-C3'-C2' 104.277 1.577 . 0.0 OUTLIER . 1.58 . . . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 4' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.894 0 C3'-C2'-C1' 100.07 -1.589 . 0.0 OUTLIER . 1.21 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 5' ' ' ' U' . . . . . 0.721 " H4'" ' HA ' ' A' ' 553' ' ' MET . . . . . . . . 0 O5'--C5' 1.424 -1.026 0 C4'-C3'-C2' 104.071 1.371 . 0.414 4b . 1.33 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 6' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.813 0 C3'-C2'-C1' 100.277 -1.359 . 0.0 OUTLIER . 4.58 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 510' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.844 0 N-CA-C 112.631 -0.187 . . . . 9.27 112.631 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 511' ' ' ALA . . . . . . . . . . . . . . . -85.69 122.13 29.34 Favored 'General case' 0 C--N 1.328 -0.348 0 O-C-N 122.553 -0.381 . . . . 6.96 111.034 -178.832 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 512' ' ' MET . . . . . . . . . . . . . 1.8 pmm? -80.94 -19.41 44.28 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.15 -0.477 . . . . 6.68 110.303 179.599 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 513' ' ' ALA . . . . . . . . . . . . . . . -139.5 155.67 47.4 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.661 -0.7 . . . . 4.66 109.27 178.597 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 514' ' ' GLN . . . . . 0.448 ' HB3' ' HZ3' ' A' ' 516' ' ' LYS . 68.7 mm-40 66.29 112.9 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.286 0 O-C-N 123.845 0.716 . . . . 2.88 111.47 -177.165 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 515' ' ' ARG . . . . . . . . . . . . . 21.2 mtp180 -70.46 122.17 19.14 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 116.019 -0.537 . . . . 4.64 110.406 -179.784 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 516' ' ' LYS . . . . . 0.448 ' HZ3' ' HB3' ' A' ' 514' ' ' GLN . 41.3 mmtm -137.72 46.03 2.12 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.143 -0.48 . . . . 2.38 110.529 -179.261 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 517' ' ' GLY . . . . . . . . . . . . . . . -103.66 -86.58 1.95 Allowed Glycine 0 N--CA 1.451 -0.31 0 N-CA-C 111.192 -0.763 . . . . 2.04 111.192 175.798 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 518' ' ' ALA . . . . . . . . . . . . . . . -89.0 91.8 8.98 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 109.183 -0.673 . . . . 1.94 109.183 173.064 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 519' ' ' GLY . . . . . . . . . . . . . . . 109.69 103.69 2.82 Favored Glycine 0 N--CA 1.447 -0.607 0 N-CA-C 110.155 -1.178 . . . . 0.98 110.155 -171.86 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 520' ' ' ARG . . . . . 0.726 ' NH1' ' HA ' ' A' ' 566' ' ' THR . 6.0 mtm105 -134.78 137.33 43.3 Favored 'General case' 0 N--CA 1.45 -0.467 0 CA-C-O 121.019 0.437 . . . . 2.86 111.175 -177.571 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 521' ' ' VAL . . . . . 0.458 HG13 HD21 ' A' ' 599' ' ' LEU . 84.8 t -117.11 124.07 72.57 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 CA-C-N 115.67 -0.695 . . . . 1.14 110.9 169.349 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 522' ' ' VAL . . . . . 0.584 ' HB ' ' O ' ' A' ' 561' ' ' LEU . 25.2 t -120.2 121.62 66.22 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 N-CA-C 108.142 -1.058 . . . . 1.05 108.142 173.668 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 523' ' ' HIS . . . . . 0.453 ' HB2' ' OG ' ' A' ' 593' ' ' SER . 47.5 t-80 -105.68 132.59 51.63 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 121.258 0.551 . . . . 0.57 110.842 -173.527 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 524' ' ' ILE . . . . . 0.406 HG12 HG12 ' A' ' 590' ' ' ILE . 29.3 mt -111.11 141.4 26.59 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.931 0 N-CA-C 107.984 -1.117 . . . . 1.06 107.984 176.149 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 525' ' ' CYS . . . . . 0.491 ' SG ' ' HB3' ' A' ' 589' ' ' LEU . 3.2 p -144.53 166.32 25.47 Favored 'General case' 0 C--N 1.309 -1.163 0 C-N-CA 120.226 -0.59 . . . . 1.75 111.787 -176.47 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 526' ' ' ASN . . . . . 0.476 ' HB2' ' O ' ' A' ' 525' ' ' CYS . 92.9 m-20 83.47 31.14 0.07 Allowed 'General case' 0 N--CA 1.465 0.315 0 O-C-N 124.827 1.329 . . . . 0.28 110.335 177.603 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 527' ' ' LEU . . . . . 0.415 ' HA ' ' HD3' ' A' ' 528' ' ' PRO . 80.0 mt -85.43 133.87 41.42 Favored Pre-proline 0 C--N 1.325 -0.481 0 CA-C-N 115.281 -0.872 . . . . 1.04 108.697 175.888 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 528' ' ' PRO . . . . . 0.439 ' HB2' ' HB2' ' A' ' 531' ' ' SER . 6.1 Cg_exo -73.84 134.38 19.83 Favored 'Trans proline' 0 N--CA 1.456 -0.732 0 C-N-CA 121.266 1.311 . . . . 0.5 111.489 -178.636 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 529' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -65.13 135.54 55.63 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.89 -0.596 . . . . 1.6 109.735 178.817 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 530' ' ' GLY . . . . . . . . . . . . . . . 82.27 3.04 90.69 Favored Glycine 0 N--CA 1.448 -0.509 0 C-N-CA 120.443 -0.885 . . . . 0.52 111.795 -173.477 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 531' ' ' SER . . . . . 0.439 ' HB2' ' HB2' ' A' ' 528' ' ' PRO . 48.8 m -142.28 15.08 2.03 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.165 0.507 . . . . 1.49 110.095 -176.161 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 532' ' ' CYS . . . . . . . . . . . . . 57.5 m -92.45 90.65 7.28 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 108.94 -0.763 . . . . 0.25 108.94 179.131 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 533' ' ' THR . . . . . 0.583 ' O ' HG23 ' A' ' 537' ' ' VAL . 29.8 p -98.41 149.13 22.99 Favored 'General case' 0 N--CA 1.445 -0.698 0 N-CA-C 108.765 -0.828 . . . . 1.1 108.765 -179.919 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 534' ' ' GLU . . . . . 0.502 ' N ' HD12 ' A' ' 552' ' ' LEU . 41.3 mt-10 -67.75 -34.54 77.03 Favored 'General case' 0 C--N 1.317 -0.805 0 N-CA-C 109.048 -0.723 . . . . 1.64 109.048 176.537 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 535' ' ' ASN . . . . . . . . . . . . . 10.7 t30 -62.87 -49.07 76.3 Favored 'General case' 0 N--CA 1.446 -0.652 0 CA-C-N 114.293 -1.321 . . . . 1.86 111.6 -175.524 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 536' ' ' ASP . . . . . . . . . . . . . 17.5 m-20 -70.19 -41.93 73.06 Favored 'General case' 0 N--CA 1.472 0.648 0 CA-C-N 118.338 0.517 . . . . 0.61 111.16 -175.794 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 537' ' ' VAL . . . . . 0.583 HG23 ' O ' ' A' ' 533' ' ' THR . 44.0 t -60.06 -47.95 89.84 Favored 'Isoleucine or valine' 0 C--O 1.242 0.695 0 CA-C-N 115.205 -0.907 . . . . 1.03 109.809 179.898 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 538' ' ' ILE . . . . . 0.656 HD12 ' CG ' ' A' ' 550' ' ' TYR . 54.1 mt -68.54 -34.34 64.85 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 CA-C-N 115.503 -0.771 . . . . 1.06 111.565 176.336 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 539' ' ' ASN . . . . . 0.475 ' HA ' HD11 ' A' ' 615' ' ' ILE . 10.8 m120 -58.61 -26.39 63.64 Favored 'General case' 0 N--CA 1.467 0.4 0 O-C-N 122.203 -0.31 . . . . 0.25 110.473 177.515 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 540' ' ' LEU . . . . . 0.461 HD11 HD11 ' A' ' 588' ' ' LEU . 93.4 mt -75.62 -41.16 55.09 Favored 'General case' 0 C--N 1.323 -0.572 0 C-N-CA 120.781 -0.367 . . . . 1.11 110.276 173.4 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 541' ' ' GLY . . . . . 0.427 ' CA ' HD23 ' A' ' 561' ' ' LEU . . . -64.87 -52.72 39.5 Favored Glycine 0 CA--C 1.524 0.627 0 N-CA-C 115.589 0.996 . . . . 0.19 115.589 179.657 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 542' ' ' LEU . . . . . 0.529 ' HB2' ' CD1' ' A' ' 615' ' ' ILE . 61.0 mt -58.14 -44.37 99.2 Favored Pre-proline 0 C--N 1.32 -0.677 0 N-CA-C 115.099 1.518 . . . . 1.06 115.099 -167.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 543' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -58.88 -26.68 81.82 Favored 'Trans proline' 0 C--N 1.347 0.486 0 C-N-CA 122.119 1.88 . . . . 0.25 113.492 -179.07 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 544' ' ' PHE . . . . . 0.444 ' HB2' ' HE3' ' A' ' 572' ' ' MET . 97.8 m-85 -101.25 -12.01 19.04 Favored 'General case' 0 C--N 1.331 -0.227 0 O-C-N 122.193 -0.317 . . . . 0.38 111.412 178.661 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 545' ' ' GLY . . . . . 0.503 ' O ' ' HA ' ' A' ' 542' ' ' LEU . . . 174.81 151.7 8.65 Favored Glycine 0 N--CA 1.449 -0.497 0 C-N-CA 120.706 -0.759 . . . . 0.44 112.182 -179.678 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 546' ' ' LYS . . . . . . . . . . . . . 63.1 tttm -66.53 127.44 32.35 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.037 0.446 . . . . 2.62 110.747 -178.416 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 547' ' ' VAL . . . . . 0.539 ' HB ' HG11 ' A' ' 608' ' ' VAL . 70.2 t -87.85 115.82 28.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 115.443 -0.799 . . . . 1.05 110.222 -179.942 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 548' ' ' THR . . . . . . . . . . . . . 22.8 p -97.67 -33.84 11.16 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-N 115.856 -0.611 . . . . 1.11 111.698 -179.645 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 549' ' ' ASN . . . . . 0.432 ' HB2' ' HB2' ' A' ' 562' ' ' GLU . 12.7 m120 -142.83 149.33 38.45 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 109.966 -0.383 . . . . 1.49 109.966 -178.5 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 550' ' ' TYR . . . . . 0.656 ' CG ' HD12 ' A' ' 538' ' ' ILE . 4.7 p90 -156.37 150.77 25.56 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 116.202 -0.454 . . . . 0.96 109.89 -179.729 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 551' ' ' ILE . . . . . 0.614 HG23 ' C2 ' ' B' ' 5' ' ' ' U' . 69.1 mt -144.74 124.31 6.86 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 N-CA-C 107.922 -1.14 . . . . 1.1 107.922 -175.454 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 552' ' ' LEU . . . . . 0.502 HD12 ' N ' ' A' ' 534' ' ' GLU . 28.9 mt -106.35 117.39 33.92 Favored 'General case' 0 C--N 1.312 -1.038 0 C-N-CA 119.556 -0.858 . . . . 1.17 110.264 -179.758 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 553' ' ' MET . . . . . 0.721 ' HA ' " H4'" ' B' ' 5' ' ' ' U' . 35.5 mtp -98.15 80.78 2.72 Favored 'General case' 0 C--N 1.317 -0.841 0 N-CA-C 108.353 -0.98 . . . . 1.55 108.353 -176.868 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 554' ' ' LYS . . . . . . . . . . . . . 19.8 mmtm -54.17 -29.14 44.5 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 114.785 -1.098 . . . . 1.63 112.793 177.886 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 555' ' ' SER . . . . . . . . . . . . . 67.1 p -69.58 -45.3 68.98 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 111.746 0.276 . . . . 0.7 111.746 -174.008 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 556' ' ' THR . . . . . . . . . . . . . 44.5 p -102.12 8.32 40.78 Favored 'General case' 0 C--O 1.236 0.342 0 N-CA-C 113.052 0.76 . . . . 1.14 113.052 -173.554 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 557' ' ' ASN . . . . . . . . . . . . . 43.5 m-80 60.29 41.24 16.75 Favored 'General case' 0 N--CA 1.473 0.701 0 CA-C-O 121.787 0.804 . . . . 2.03 110.158 -176.427 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 558' ' ' GLN . . . . . . . . . . . . . 77.3 mt-30 -136.62 168.44 19.5 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 114.994 -1.003 . . . . 1.24 109.855 -174.86 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 559' ' ' ALA . . . . . . . . . . . . . . . -159.2 166.03 32.31 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.989 0.424 . . . . 1.04 111.491 177.175 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 560' ' ' PHE . . . . . 0.494 ' HB2' ' HB ' ' A' ' 551' ' ' ILE . 86.1 m-85 -120.68 146.66 46.2 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 116.102 -0.499 . . . . 0.46 110.774 176.262 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 561' ' ' LEU . . . . . 0.584 ' O ' ' HB ' ' A' ' 522' ' ' VAL . 46.1 tp -138.49 118.13 13.06 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.896 -0.593 . . . . 1.06 110.351 -179.905 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 562' ' ' GLU . . . . . 0.432 ' HB2' ' HB2' ' A' ' 549' ' ' ASN . 0.0 OUTLIER -105.02 137.63 42.47 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.389 0.614 . . . . 2.09 110.43 178.099 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 563' ' ' MET . . . . . 0.685 ' HE2' ' SD ' ' A' ' 572' ' ' MET . 2.7 mtt -124.45 151.29 44.71 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 115.077 -0.965 . . . . 1.06 109.309 -171.382 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 564' ' ' ALA . . . . . . . . . . . . . . . -71.2 -17.46 62.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.803 0.335 . . . . 1.25 111.622 -169.194 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 565' ' ' TYR . . . . . . . . . . . . . 84.0 m-85 -138.73 144.16 39.37 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 109.399 -0.593 . . . . 1.39 109.399 178.923 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 566' ' ' THR . . . . . 0.726 ' HA ' ' NH1' ' A' ' 520' ' ' ARG . 5.0 t -67.69 -27.69 67.04 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.243 -0.435 . . . . 1.24 110.392 -178.488 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 567' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -56.31 -31.29 63.54 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-N 115.363 -0.835 . . . . 0.89 110.99 175.524 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 568' ' ' ALA . . . . . 0.707 ' O ' ' HG3' ' A' ' 572' ' ' MET . . . -68.79 -42.21 77.69 Favored 'General case' 0 N--CA 1.449 -0.484 0 CA-C-N 116.07 -0.514 . . . . 1.08 110.245 -176.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 569' ' ' ALA . . . . . 0.516 ' CB ' HH12 ' A' ' 520' ' ' ARG . . . -66.1 -45.13 82.27 Favored 'General case' 0 CA--C 1.514 -0.429 0 CA-C-N 116.302 -0.408 . . . . 1.0 111.521 -176.165 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 570' ' ' GLN . . . . . . . . . . . . . 12.9 pt20 -68.04 -35.78 78.82 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.397 -0.365 . . . . 1.72 110.346 -178.699 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 571' ' ' ALA . . . . . . . . . . . . . . . -63.48 -43.64 96.69 Favored 'General case' 0 N--CA 1.453 -0.293 0 CA-C-N 116.395 -0.366 . . . . 1.08 110.502 176.013 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 572' ' ' MET . . . . . 0.707 ' HG3' ' O ' ' A' ' 568' ' ' ALA . 31.1 mtt -66.61 -44.46 82.02 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.433 -0.349 . . . . 1.05 110.504 178.126 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 573' ' ' VAL . . . . . 0.512 HG22 ' O ' ' A' ' 569' ' ' ALA . 76.2 t -59.14 -47.2 90.94 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.299 0 C-N-CA 121.208 -0.197 . . . . 1.08 110.481 179.58 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 574' ' ' GLN . . . . . . . . . . . . . 79.8 mm-40 -61.27 -38.99 88.72 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.969 0.414 . . . . 2.79 110.618 178.017 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 575' ' ' TYR . . . . . . . . . . . . . 86.9 t80 -69.66 -53.9 16.48 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.91 -0.586 . . . . 1.09 111.276 -178.329 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 576' ' ' TYR . . . . . 0.549 ' HA ' ' O ' ' A' ' 579' ' ' LYS . 82.2 m-85 -76.41 -13.66 60.11 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 112.755 0.65 . . . . 1.03 112.755 -174.586 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 577' ' ' GLN . . . . . 0.466 ' HA ' ' OE1' ' A' ' 577' ' ' GLN . 13.2 mm-40 -77.09 -41.65 41.31 Favored 'General case' 0 C--N 1.325 -0.47 0 C-N-CA 120.318 -0.553 . . . . 2.14 110.322 170.708 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 578' ' ' GLU . . . . . . . . . . . . . 28.5 mm-40 -77.39 -37.54 51.81 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.019 0.438 . . . . 2.14 110.283 177.265 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 579' ' ' LYS . . . . . 0.549 ' O ' ' HA ' ' A' ' 576' ' ' TYR . 57.9 mtpt -138.4 96.05 10.01 Favored Pre-proline 0 C--N 1.326 -0.439 0 CA-C-N 116.042 -0.526 . . . . 2.95 110.058 177.769 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 580' ' ' PRO . . . . . . . . . . . . . 38.3 Cg_endo -66.72 159.6 50.42 Favored 'Trans proline' 0 C--O 1.234 0.293 0 C-N-CA 122.069 1.846 . . . . 0.51 111.76 179.206 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 581' ' ' ALA . . . . . 0.413 ' HB3' ' CE1' ' A' ' 576' ' ' TYR . . . -92.02 137.05 32.68 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.367 -0.379 . . . . 1.09 110.115 -177.306 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 582' ' ' ILE . . . . . . . . . . . . . 25.8 mt -100.61 118.5 47.39 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.679 0 CA-C-O 120.922 0.391 . . . . 1.19 111.148 -175.778 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 583' ' ' ILE . . . . . . . . . . . . . 32.0 mm -127.51 113.82 33.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 N-CA-C 109.5 -0.555 . . . . 1.21 109.5 173.321 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 584' ' ' ASN . . . . . 0.473 HD21 ' N ' ' A' ' 584' ' ' ASN . 0.8 OUTLIER 59.65 33.67 22.01 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-O 121.53 0.681 . . . . 1.34 109.991 -177.622 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 585' ' ' GLY . . . . . . . . . . . . . . . 81.28 3.01 90.74 Favored Glycine 0 N--CA 1.445 -0.703 0 CA-C-N 115.223 -0.899 . . . . 0.51 112.955 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 586' ' ' GLU . . . . . . . . . . . . . 10.4 mm-40 -100.54 126.34 46.97 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.123 0.487 . . . . 1.79 111.105 -178.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 587' ' ' LYS . . . . . . . . . . . . . 34.0 mmtp -76.82 118.54 19.53 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.111 -0.95 . . . . 2.25 110.82 177.147 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 588' ' ' LEU . . . . . 0.461 HD11 HD11 ' A' ' 540' ' ' LEU . 36.3 mt -86.31 141.12 29.47 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.1 -0.5 . . . . 1.03 111.241 -177.666 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 589' ' ' LEU . . . . . 0.491 ' HB3' ' SG ' ' A' ' 525' ' ' CYS . 58.8 tp -113.6 112.56 23.72 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.796 -0.638 . . . . 1.13 110.803 179.471 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 590' ' ' ILE . . . . . 0.456 HD11 ' CD2' ' A' ' 576' ' ' TYR . 25.4 mt -102.94 121.38 54.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 N-CA-C 110.083 -0.339 . . . . 1.08 110.083 176.254 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 591' ' ' ARG . . . . . . . . . . . . . 15.2 mtp180 -147.19 166.03 28.24 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-N 116.52 -0.309 . . . . 3.18 110.505 -176.743 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 592' ' ' MET . . . . . . . . . . . . . 63.3 mtt -82.71 142.8 31.37 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 110.098 -0.334 . . . . 1.13 110.098 178.731 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 593' ' ' SER . . . . . 0.453 ' OG ' ' HB2' ' A' ' 523' ' ' HIS . 74.1 m -85.84 139.23 31.45 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.618 0.723 . . . . 1.65 112.243 -177.326 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 594' ' ' THR . . . . . . . . . . . . . 18.5 p -90.89 -16.42 28.19 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 114.453 -1.249 . . . . 1.14 112.483 -178.296 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 595' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -101.63 -29.82 11.71 Favored 'General case' 0 N--CA 1.466 0.344 0 N-CA-C 112.497 0.554 . . . . 3.37 112.497 -169.677 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 596' ' ' TYR . . . . . . . . . . . . . 84.4 m-85 -119.82 150.82 39.81 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.047 0.451 . . . . 1.15 111.546 -174.652 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 597' ' ' LYS . . . . . 0.465 ' N ' ' HD2' ' A' ' 597' ' ' LYS . 0.4 OUTLIER -108.14 -18.86 13.67 Favored 'General case' 0 C--O 1.22 -0.47 0 CA-C-N 115.553 -0.749 . . . . 2.63 111.557 -178.536 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 598' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -143.2 150.09 38.88 Favored 'General case' 0 C--N 1.326 -0.439 0 C-N-CA 120.375 -0.53 . . . . 0.95 111.171 -178.516 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 599' ' ' LEU . . . . . 0.458 HD21 HG13 ' A' ' 521' ' ' VAL . 38.9 mt -101.26 121.21 41.46 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.64 -0.709 . . . . 1.18 110.417 175.722 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 600' ' ' GLN . . . . . . . . . . . . . 51.5 tp60 -108.92 120.56 42.88 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 115.491 -0.777 . . . . 1.65 110.653 -178.668 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 601' ' ' LEU . . . . . . . . . . . . . 57.4 mt -80.17 91.66 5.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.155 0.502 . . . . 1.23 110.284 177.887 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 602' ' ' LYS . . . . . . . . . . . . . 54.7 mtpt -88.79 -11.55 44.59 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.627 -0.715 . . . . 2.22 110.246 179.84 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 603' ' ' LYS . . . . . . . . . . . . . 75.3 mmtt -118.95 145.75 38.63 Favored Pre-proline 0 C--N 1.322 -0.616 0 CA-C-N 115.783 -0.644 . . . . 2.26 109.557 178.082 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 604' ' ' PRO . . . . . . . . . . . . . 46.7 Cg_exo -54.97 141.83 77.59 Favored 'Trans proline' 0 C--N 1.345 0.357 0 C-N-CA 122.953 2.435 . . . . 1.26 112.664 -179.15 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 605' ' ' GLY . . . . . . . . . . . . . . . -132.97 141.35 12.72 Favored Glycine 0 N--CA 1.442 -0.92 0 N-CA-C 111.196 -0.761 . . . . 1.23 111.196 179.391 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 606' ' ' LYS . . . . . . . . . . . . . 2.1 mptp? -82.53 165.84 19.8 Favored 'General case' 0 C--N 1.318 -0.802 0 N-CA-C 110.084 -0.339 . . . . 3.96 110.084 -179.823 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 607' ' ' ASN . . . . . . . . . . . . . 36.0 t30 -58.03 127.58 32.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.198 0.523 . . . . 1.8 111.588 179.241 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 608' ' ' VAL . . . . . 0.539 HG11 ' HB ' ' A' ' 547' ' ' VAL . 64.8 t -86.83 -24.28 6.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 115.572 -0.74 . . . . 1.07 111.215 -177.347 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 609' ' ' ALA . . . . . . . . . . . . . . . -61.26 -34.73 75.64 Favored 'General case' 0 C--O 1.238 0.498 0 CA-C-O 121.505 0.669 . . . . 1.27 110.677 177.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 610' ' ' ALA . . . . . . . . . . . . . . . -61.02 -32.3 71.9 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.43 -0.805 . . . . 1.14 110.187 175.571 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 611' ' ' ILE . . . . . 0.492 ' O ' HG13 ' A' ' 615' ' ' ILE . 71.0 mt -70.62 -32.04 48.2 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-N 115.627 -0.715 . . . . 1.03 109.807 -178.033 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 612' ' ' ILE . . . . . 0.448 HG12 HD21 ' A' ' 542' ' ' LEU . 44.3 mt -60.84 -44.3 97.35 Favored 'Isoleucine or valine' 0 C--O 1.234 0.263 0 CA-C-O 121.221 0.534 . . . . 1.11 109.618 175.138 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 613' ' ' GLN . . . . . . . . . . . . . 74.3 mt-30 -64.76 -36.93 85.89 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.371 -0.832 . . . . 3.02 110.178 178.543 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 614' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -65.17 -39.0 92.33 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.187 -0.915 . . . . 1.95 111.291 178.717 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 615' ' ' ILE . . . . . 0.529 ' CD1' ' HB2' ' A' ' 542' ' ' LEU . 85.2 mt -63.3 -49.06 84.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.747 0.308 . . . . 1.08 110.939 178.239 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 616' ' ' HIS . . . . . . . . . . . . . 92.4 m-70 -67.31 -27.18 66.95 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.345 -0.389 . . . . 1.73 110.879 -178.267 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 617' ' ' SER . . . . . . . . . . . . . 28.8 t -74.19 -25.5 59.73 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.089 -0.505 . . . . 1.77 111.161 177.82 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 618' ' ' GLN . . . . . . . . . . . . . 78.6 mt-30 -118.74 -79.54 0.6 Allowed 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 112.208 0.447 . . . . 5.45 112.208 -174.045 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 619' ' ' ARG . . . . . . . . . . . . . 63.0 mtm180 -136.8 90.86 2.58 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.35 -0.386 . . . . 8.54 110.93 -173.658 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 620' ' ' GLU . . . . . 0.462 ' HA ' ' CG2' ' A' ' 615' ' ' ILE . 8.9 pt-20 -90.27 150.93 21.73 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.276 -0.42 . . . . 7.92 110.4 178.86 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 621' ' ' ARG . . . . . . . . . . . . . 8.6 tpt180 . . . . . 0 C--O 1.246 0.899 0 CA-C-O 118.568 -0.73 . . . . 11.52 109.681 -178.385 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 1' ' ' ADN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 2' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.835 0 C3'-C2'-C1' 99.861 -1.821 . 0.0 '__' . 2.99 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 3' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.424 -1.021 0 C4'-C3'-C2' 104.009 1.309 . 0.0 OUTLIER '7D dist 2[' 1.58 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 4' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.934 0 C3'-C2'-C1' 99.425 -2.305 . 0.213 4b . 1.21 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 5' ' ' ' U' . . . . . 0.46 ' C2 ' HG22 ' A' ' 551' ' ' ILE . . . . . . . . 0 O5'--C5' 1.427 -0.818 0 C4'-C3'-C2' 104.08 1.38 . 0.069 4b . 1.33 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 6' ' ' ' A' . . . . . 0.417 ' N1 ' " H2'" ' B' ' 5' ' ' ' U' . . . . . . . . 0 O5'--C5' 1.424 -0.994 0 O4'-C1'-N19 109.696 1.496 . 0.0 OUTLIER . 4.58 . . . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 510' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.748 0 N-CA-C 112.03 -0.428 . . . . 9.27 112.03 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 511' ' ' ALA . . . . . . . . . . . . . . . -138.57 29.57 2.38 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.063 0.459 . . . . 6.96 110.864 -179.57 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 512' ' ' MET . . . . . . . . . . . . . 15.6 tpt -84.98 147.15 26.85 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.197 -0.456 . . . . 6.68 110.356 -178.838 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 513' ' ' ALA . . . . . . . . . . . . . . . 60.17 49.82 6.98 Favored 'General case' 0 C--O 1.234 0.262 0 O-C-N 123.689 0.618 . . . . 4.66 110.609 -179.463 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 514' ' ' GLN . . . . . 0.416 HE22 ' HA ' ' A' ' 594' ' ' THR . 27.5 mm-40 -123.92 118.8 27.89 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.7 -0.682 . . . . 2.88 111.304 -178.13 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 515' ' ' ARG . . . . . . . . . . . . . 47.2 mtm180 -109.48 126.33 53.4 Favored 'General case' 0 C--N 1.319 -0.741 0 N-CA-C 109.174 -0.676 . . . . 4.64 109.174 171.682 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 516' ' ' LYS . . . . . . . . . . . . . 44.4 mmtm -140.57 46.93 1.78 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.628 0.251 . . . . 2.38 111.156 -176.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 517' ' ' GLY . . . . . . . . . . . . . . . -112.61 -82.58 1.19 Allowed Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.697 -0.763 . . . . 2.04 112.182 178.823 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 518' ' ' ALA . . . . . . . . . . . . . . . -86.52 -8.44 57.55 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.598 0.713 . . . . 1.94 110.889 179.375 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 519' ' ' GLY . . . . . . . . . . . . . . . -144.53 116.32 0.94 Allowed Glycine 0 N--CA 1.446 -0.698 0 CA-C-N 114.834 -1.076 . . . . 0.98 110.631 178.65 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 520' ' ' ARG . . . . . . . . . . . . . 11.9 mtm-85 -125.7 133.81 52.01 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 117.288 0.544 . . . . 2.86 110.842 -179.658 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 521' ' ' VAL . . . . . 0.493 HG13 HD21 ' A' ' 599' ' ' LEU . 71.3 t -118.99 122.72 70.03 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.791 0 CA-C-N 115.513 -0.767 . . . . 1.14 110.67 168.407 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 522' ' ' VAL . . . . . 0.489 ' HB ' ' O ' ' A' ' 561' ' ' LEU . 23.0 t -120.27 122.28 67.89 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.837 0 N-CA-C 107.71 -1.219 . . . . 1.05 107.71 175.359 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 523' ' ' HIS . . . . . . . . . . . . . 58.4 t-80 -105.06 131.59 52.38 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-O 121.069 0.461 . . . . 0.57 110.383 -172.7 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 524' ' ' ILE . . . . . 0.402 HG12 HG12 ' A' ' 590' ' ' ILE . 31.2 mt -111.04 136.57 46.69 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.906 0 N-CA-C 108.709 -0.849 . . . . 1.06 108.709 178.541 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 525' ' ' CYS . . . . . 0.491 ' O ' ' HB2' ' A' ' 526' ' ' ASN . 0.8 OUTLIER -142.63 164.42 30.17 Favored 'General case' 0 C--N 1.311 -1.077 0 C-N-CA 120.747 -0.381 . . . . 1.75 111.518 -176.442 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 526' ' ' ASN . . . . . 0.491 ' HB2' ' O ' ' A' ' 525' ' ' CYS . 93.6 m-20 84.69 23.58 0.1 Allowed 'General case' 0 N--CA 1.472 0.632 0 O-C-N 124.75 1.281 . . . . 0.28 110.194 178.941 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 527' ' ' LEU . . . . . 0.458 ' HB3' ' SG ' ' A' ' 532' ' ' CYS . 87.1 mt -81.52 123.36 80.99 Favored Pre-proline 0 C--N 1.325 -0.48 0 N-CA-C 108.061 -1.088 . . . . 1.04 108.061 177.31 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 528' ' ' PRO . . . . . . . . . . . . . 12.8 Cg_exo -70.41 132.78 22.96 Favored 'Trans proline' 0 N--CA 1.459 -0.519 0 C-N-CA 121.069 1.18 . . . . 0.5 111.729 -177.905 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 529' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -65.39 130.12 42.18 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 109.168 -0.679 . . . . 1.6 109.168 177.154 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 530' ' ' GLY . . . . . . . . . . . . . . . 96.12 3.6 60.28 Favored Glycine 0 N--CA 1.444 -0.781 0 C-N-CA 120.202 -0.999 . . . . 0.52 111.145 -173.507 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 531' ' ' SER . . . . . . . . . . . . . 23.1 t -148.54 10.98 0.86 Allowed 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.363 0.601 . . . . 1.49 109.611 -179.14 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 532' ' ' CYS . . . . . 0.479 ' HB2' ' HD2' ' A' ' 554' ' ' LYS . 85.4 m -92.15 87.94 6.31 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 109.168 -0.679 . . . . 0.25 109.168 -179.6 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 533' ' ' THR . . . . . 0.473 ' O ' HG22 ' A' ' 537' ' ' VAL . 28.0 p -104.21 153.31 21.12 Favored 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 109.05 -0.722 . . . . 1.1 109.05 -179.657 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 534' ' ' GLU . . . . . 0.537 ' HA ' HD12 ' A' ' 552' ' ' LEU . 54.9 mt-10 -64.39 -33.1 75.09 Favored 'General case' 0 C--N 1.319 -0.736 0 N-CA-C 109.263 -0.643 . . . . 1.64 109.263 177.155 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 535' ' ' ASN . . . . . . . . . . . . . 4.9 m-20 -61.78 -49.31 76.9 Favored 'General case' 0 C--O 1.213 -0.852 0 CA-C-N 115.188 -0.914 . . . . 1.86 111.394 178.714 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 536' ' ' ASP . . . . . . . . . . . . . 61.4 m-20 -69.03 -46.1 68.78 Favored 'General case' 0 N--CA 1.475 0.783 0 CA-C-O 121.478 0.656 . . . . 0.61 110.991 -172.037 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 537' ' ' VAL . . . . . 0.473 HG22 ' O ' ' A' ' 533' ' ' THR . 36.3 t -59.86 -48.1 89.0 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 CA-C-N 114.802 -1.09 . . . . 1.03 109.999 -178.318 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 538' ' ' ILE . . . . . 0.517 HD11 ' CG ' ' A' ' 550' ' ' TYR . 54.7 mt -69.04 -33.79 60.58 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.66 0 CA-C-N 115.5 -0.773 . . . . 1.06 111.853 176.817 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 539' ' ' ASN . . . . . . . . . . . . . 10.5 m120 -57.96 -27.46 63.44 Favored 'General case' 0 CA--C 1.514 -0.407 0 N-CA-C 109.944 -0.391 . . . . 0.25 109.944 176.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 540' ' ' LEU . . . . . . . . . . . . . 90.8 mt -75.64 -41.12 54.99 Favored 'General case' 0 N--CA 1.444 -0.74 0 C-N-CA 120.859 -0.336 . . . . 1.11 110.135 174.474 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 541' ' ' GLY . . . . . 0.535 ' HA2' ' SD ' ' A' ' 572' ' ' MET . . . -68.37 -52.55 25.96 Favored Glycine 0 CA--C 1.525 0.667 0 N-CA-C 115.553 0.981 . . . . 0.19 115.553 -179.063 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 542' ' ' LEU . . . . . 0.46 HD23 ' H ' ' A' ' 547' ' ' VAL . 36.4 mt -55.64 -47.36 98.85 Favored Pre-proline 0 C--N 1.321 -0.633 0 N-CA-C 114.836 1.421 . . . . 1.06 114.836 -168.057 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 543' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_exo -58.5 -23.22 63.29 Favored 'Trans proline' 0 CA--C 1.535 0.558 0 C-N-CA 122.029 1.82 . . . . 0.25 113.726 -176.859 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 544' ' ' PHE . . . . . 0.448 ' HB2' ' HE3' ' A' ' 572' ' ' MET . 97.3 m-85 -102.15 -8.55 21.27 Favored 'General case' 0 C--O 1.234 0.267 0 O-C-N 121.867 -0.521 . . . . 0.38 111.342 178.445 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 545' ' ' GLY . . . . . 0.436 ' O ' ' HA ' ' A' ' 542' ' ' LEU . . . 169.66 152.89 8.17 Favored Glycine 0 N--CA 1.449 -0.484 0 C-N-CA 120.904 -0.665 . . . . 0.44 112.167 -178.837 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 546' ' ' LYS . . . . . . . . . . . . . 28.1 tptp -65.66 128.21 35.05 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.241 0.543 . . . . 2.62 111.235 -178.501 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 547' ' ' VAL . . . . . 0.556 ' HB ' HG11 ' A' ' 608' ' ' VAL . 70.0 t -87.69 116.83 30.48 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.684 0 CA-C-N 115.156 -0.929 . . . . 1.05 110.184 177.18 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 548' ' ' THR . . . . . . . . . . . . . 25.0 p -99.71 -34.36 10.22 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.294 -0.412 . . . . 1.11 112.031 179.015 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 549' ' ' ASN . . . . . 0.406 ' HB2' ' CB ' ' A' ' 562' ' ' GLU . 16.6 m120 -142.39 151.91 42.32 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.906 0.384 . . . . 1.49 110.202 -178.81 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 550' ' ' TYR . . . . . 0.517 ' CG ' HD11 ' A' ' 538' ' ' ILE . 3.1 p90 -160.34 151.09 18.71 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.956 -0.566 . . . . 0.96 109.773 -178.321 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 551' ' ' ILE . . . . . 0.46 HG22 ' C2 ' ' B' ' 5' ' ' ' U' . 33.1 mt -143.42 121.51 6.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 N-CA-C 108.138 -1.06 . . . . 1.1 108.138 -178.035 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 552' ' ' LEU . . . . . 0.537 HD12 ' HA ' ' A' ' 534' ' ' GLU . 21.2 mt -111.67 124.47 52.38 Favored 'General case' 0 C--N 1.32 -0.712 0 C-N-CA 119.794 -0.762 . . . . 1.17 111.617 -176.848 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 553' ' ' MET . . . . . 0.441 ' HG3' " O4'" ' B' ' 5' ' ' ' U' . 4.2 mpp? -112.09 83.73 1.84 Allowed 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 109.018 -0.734 . . . . 1.55 109.018 174.587 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 554' ' ' LYS . . . . . 0.479 ' HD2' ' HB2' ' A' ' 532' ' ' CYS . 4.6 mmtp -53.11 -28.41 25.37 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.393 -0.821 . . . . 1.63 112.201 175.423 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 555' ' ' SER . . . . . . . . . . . . . 71.0 p -69.32 -38.93 78.47 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 111.833 0.308 . . . . 0.7 111.833 -173.463 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 556' ' ' THR . . . . . . . . . . . . . 40.6 p -105.55 7.04 32.73 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 112.419 0.525 . . . . 1.14 112.419 -175.301 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 557' ' ' ASN . . . . . . . . . . . . . 2.6 m-20 59.16 39.12 23.32 Favored 'General case' 0 N--CA 1.468 0.447 0 CA-C-O 121.562 0.696 . . . . 2.03 110.392 -177.57 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 558' ' ' GLN . . . . . . . . . . . . . 23.7 mt-30 -137.63 154.44 49.73 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.185 -0.916 . . . . 1.24 110.056 -174.781 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 559' ' ' ALA . . . . . . . . . . . . . . . -157.27 164.83 37.25 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.3 0.572 . . . . 1.04 111.982 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 560' ' ' PHE . . . . . 0.43 ' HB2' ' HB ' ' A' ' 551' ' ' ILE . 94.6 m-85 -121.18 145.66 47.6 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.281 -0.872 . . . . 0.46 110.609 176.697 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 561' ' ' LEU . . . . . 0.489 ' O ' ' HB ' ' A' ' 522' ' ' VAL . 60.5 tp -138.76 118.93 13.5 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.19 -0.459 . . . . 1.06 110.359 179.796 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 562' ' ' GLU . . . . . 0.406 ' CB ' ' HB2' ' A' ' 549' ' ' ASN . 0.1 OUTLIER -101.99 136.01 42.57 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.261 0.553 . . . . 2.09 109.842 176.471 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 563' ' ' MET . . . . . 0.565 ' SD ' ' HA ' ' A' ' 569' ' ' ALA . 28.2 mtt -122.8 141.26 52.03 Favored 'General case' 0 C--N 1.314 -0.971 0 CA-C-N 115.302 -0.863 . . . . 1.06 108.743 -172.24 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 564' ' ' ALA . . . . . . . . . . . . . . . -66.62 -16.29 64.08 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 112.348 0.499 . . . . 1.25 112.348 -168.644 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 565' ' ' TYR . . . . . 0.463 ' CB ' ' HG2' ' A' ' 567' ' ' GLU . 93.9 m-85 -138.57 142.2 39.23 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.273 -0.421 . . . . 1.39 110.037 -179.121 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 566' ' ' THR . . . . . . . . . . . . . 13.5 t -62.55 -27.27 69.06 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.556 -0.747 . . . . 1.24 110.437 179.278 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 567' ' ' GLU . . . . . 0.498 ' HA ' HE21 ' A' ' 570' ' ' GLN . 12.1 pt-20 -55.91 -33.72 64.91 Favored 'General case' 0 C--N 1.333 -0.122 0 CA-C-N 115.628 -0.715 . . . . 0.89 110.834 175.905 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 568' ' ' ALA . . . . . 0.662 ' O ' ' HG3' ' A' ' 572' ' ' MET . . . -73.49 -41.58 62.93 Favored 'General case' 0 N--CA 1.447 -0.579 0 CA-C-N 115.866 -0.606 . . . . 1.08 110.309 -174.826 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 569' ' ' ALA . . . . . 0.565 ' HA ' ' SD ' ' A' ' 563' ' ' MET . . . -64.85 -46.54 81.44 Favored 'General case' 0 N--CA 1.451 -0.402 0 CA-C-N 116.11 -0.496 . . . . 1.0 111.244 -175.173 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 570' ' ' GLN . . . . . 0.498 HE21 ' HA ' ' A' ' 567' ' ' GLU . 26.8 pt20 -69.67 -36.42 76.01 Favored 'General case' 0 C--N 1.326 -0.451 0 C-N-CA 120.714 -0.394 . . . . 1.72 110.784 179.918 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 571' ' ' ALA . . . . . . . . . . . . . . . -63.48 -45.67 89.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.567 -0.288 . . . . 1.08 111.225 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 572' ' ' MET . . . . . 0.662 ' HG3' ' O ' ' A' ' 568' ' ' ALA . 27.0 mtt -67.01 -45.0 78.88 Favored 'General case' 0 CA--C 1.516 -0.33 0 CA-C-N 116.537 -0.301 . . . . 1.05 110.989 -178.335 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 573' ' ' VAL . . . . . 0.54 ' O ' ' HG2' ' A' ' 577' ' ' GLN . 93.4 t -58.74 -47.6 88.58 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 C-N-CA 120.793 -0.363 . . . . 1.08 110.221 -179.412 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 574' ' ' GLN . . . . . . . . . . . . . 79.0 mt-30 -63.39 -37.45 87.33 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-O 120.906 0.384 . . . . 2.79 110.959 179.278 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 575' ' ' TYR . . . . . . . . . . . . . 86.3 t80 -68.25 -53.53 23.95 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.268 -0.423 . . . . 1.09 111.113 -179.456 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 576' ' ' TYR . . . . . 0.498 ' HA ' ' O ' ' A' ' 579' ' ' LYS . 80.5 m-85 -73.14 -13.12 61.12 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 112.648 0.61 . . . . 1.03 112.648 -176.527 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 577' ' ' GLN . . . . . 0.54 ' HG2' ' O ' ' A' ' 573' ' ' VAL . 11.6 mm-40 -71.37 -41.98 69.01 Favored 'General case' 0 C--N 1.327 -0.411 0 C-N-CA 120.616 -0.433 . . . . 2.14 110.203 171.165 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 578' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -88.18 -38.97 14.87 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.36 -0.382 . . . . 2.14 111.03 179.905 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 579' ' ' LYS . . . . . 0.498 ' O ' ' HA ' ' A' ' 576' ' ' TYR . 28.0 mtpp -128.95 92.55 39.48 Favored Pre-proline 0 C--N 1.324 -0.501 0 N-CA-C 109.878 -0.416 . . . . 2.95 109.878 176.615 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 580' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo -70.1 160.01 51.1 Favored 'Trans proline' 0 C--O 1.235 0.343 0 C-N-CA 122.292 1.994 . . . . 0.51 112.014 -179.549 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 581' ' ' ALA . . . . . 0.441 ' O ' ' HG ' ' A' ' 588' ' ' LEU . . . -91.51 132.87 35.98 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 109.765 -0.458 . . . . 1.09 109.765 179.549 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 582' ' ' ILE . . . . . . . . . . . . . 34.0 mt -103.45 120.18 53.07 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.752 0 CA-C-O 121.061 0.458 . . . . 1.19 111.343 -175.155 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 583' ' ' ILE . . . . . . . . . . . . . 27.3 mm -128.27 115.09 36.9 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 CA-C-N 115.595 -0.729 . . . . 1.21 109.682 174.528 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 584' ' ' ASN . . . . . . . . . . . . . 4.4 m-20 58.97 33.46 23.04 Favored 'General case' 0 N--CA 1.465 0.316 0 CA-C-O 121.608 0.718 . . . . 1.34 110.45 178.69 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 585' ' ' GLY . . . . . . . . . . . . . . . 85.12 -1.74 88.59 Favored Glycine 0 N--CA 1.445 -0.741 0 CA-C-N 115.073 -0.967 . . . . 0.51 113.707 177.472 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 586' ' ' GLU . . . . . . . . . . . . . 25.9 mt-10 -104.23 127.55 51.87 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 117.497 0.649 . . . . 1.79 111.11 -178.724 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 587' ' ' LYS . . . . . . . . . . . . . 30.0 mmtp -76.52 118.08 18.83 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.117 -0.947 . . . . 2.25 110.928 179.141 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 588' ' ' LEU . . . . . 0.441 ' HG ' ' O ' ' A' ' 581' ' ' ALA . 44.2 mt -81.38 139.82 35.08 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.954 -0.566 . . . . 1.03 111.067 -177.004 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 589' ' ' LEU . . . . . . . . . . . . . 61.3 tp -113.03 113.62 25.71 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.898 -0.592 . . . . 1.13 110.976 -179.573 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 590' ' ' ILE . . . . . 0.419 HD13 ' CE2' ' A' ' 576' ' ' TYR . 24.1 mt -106.08 118.69 54.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 N-CA-C 110.041 -0.355 . . . . 1.08 110.041 175.055 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 591' ' ' ARG . . . . . . . . . . . . . 68.7 mtp180 -145.4 166.03 26.78 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-O 120.757 0.313 . . . . 3.18 110.608 -178.227 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 592' ' ' MET . . . . . . . . . . . . . 61.9 mtt -82.53 142.09 32.11 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.457 -0.338 . . . . 1.13 110.788 -177.191 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 593' ' ' SER . . . . . . . . . . . . . 47.6 t -86.58 137.52 32.43 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.538 0.685 . . . . 1.65 111.887 -174.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 594' ' ' THR . . . . . 0.416 ' HA ' HE22 ' A' ' 514' ' ' GLN . 17.0 p -90.95 -12.67 35.28 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 114.697 -1.138 . . . . 1.14 112.206 179.257 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 595' ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 -101.07 -30.95 11.31 Favored 'General case' 0 C--N 1.332 -0.189 0 N-CA-C 112.384 0.513 . . . . 3.37 112.384 -170.838 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 596' ' ' TYR . . . . . . . . . . . . . 47.8 m-85 -118.43 144.66 45.79 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 121.185 0.517 . . . . 1.15 111.614 -176.848 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 597' ' ' LYS . . . . . 0.608 ' N ' ' HD2' ' A' ' 597' ' ' LYS . 6.4 mptt -109.82 -9.94 14.79 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.293 -0.867 . . . . 2.63 110.271 176.315 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 598' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -144.67 150.22 36.98 Favored 'General case' 0 N--CA 1.45 -0.428 0 CA-C-N 116.36 -0.382 . . . . 0.95 110.832 -179.865 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 599' ' ' LEU . . . . . 0.493 HD21 HG13 ' A' ' 521' ' ' VAL . 47.7 mt -111.82 121.4 44.97 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.581 -0.736 . . . . 1.18 110.769 174.536 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 600' ' ' GLN . . . . . . . . . . . . . 27.7 tt0 -113.54 121.98 45.87 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.59 -0.732 . . . . 1.65 110.342 -179.832 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 601' ' ' LEU . . . . . . . . . . . . . 78.5 mt -75.21 90.13 2.56 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.889 0.376 . . . . 1.23 111.245 -179.203 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 602' ' ' LYS . . . . . . . . . . . . . 96.8 mttt -65.09 -35.25 80.55 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 108.856 -0.794 . . . . 2.22 108.856 171.672 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 603' ' ' LYS . . . . . . . . . . . . . 75.3 mmtt -117.8 124.5 28.76 Favored Pre-proline 0 C--N 1.322 -0.62 0 CA-C-N 114.873 -1.058 . . . . 2.26 108.472 173.73 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 604' ' ' PRO . . . . . . . . . . . . . 38.3 Cg_endo -65.37 178.27 2.17 Favored 'Trans proline' 0 C--O 1.233 0.264 0 C-N-CA 123.126 2.55 . . . . 1.26 113.446 -175.481 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 605' ' ' GLY . . . . . . . . . . . . . . . -145.65 154.97 26.27 Favored Glycine 0 N--CA 1.44 -1.051 0 N-CA-C 111.046 -0.822 . . . . 1.23 111.046 -177.285 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 606' ' ' LYS . . . . . . . . . . . . . 60.6 pttt -74.37 175.68 7.45 Favored 'General case' 0 C--N 1.317 -0.817 0 C-N-CA 122.334 0.253 . . . . 3.96 111.143 -178.309 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 607' ' ' ASN . . . . . . . . . . . . . 33.5 t30 -57.72 123.22 14.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.239 0.542 . . . . 1.8 111.523 177.061 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 608' ' ' VAL . . . . . 0.556 HG11 ' HB ' ' A' ' 547' ' ' VAL . 46.2 t -85.59 -20.23 8.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-N 115.644 -0.707 . . . . 1.07 110.914 -177.476 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 609' ' ' ALA . . . . . . . . . . . . . . . -64.5 -34.81 79.09 Favored 'General case' 0 C--O 1.237 0.447 0 CA-C-O 121.533 0.682 . . . . 1.27 110.665 177.669 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 610' ' ' ALA . . . . . . . . . . . . . . . -64.88 -27.74 69.07 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.561 -0.745 . . . . 1.14 110.095 177.367 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 611' ' ' ILE . . . . . . . . . . . . . 74.4 mt -71.68 -29.4 34.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 115.725 -0.671 . . . . 1.03 109.779 177.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 612' ' ' ILE . . . . . . . . . . . . . 61.4 mt -60.74 -44.1 96.57 Favored 'Isoleucine or valine' 0 C--O 1.234 0.26 0 N-CA-C 109.554 -0.535 . . . . 1.11 109.554 173.012 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 613' ' ' GLN . . . . . . . . . . . . . 30.8 mm-40 -66.5 -30.64 71.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.344 0.592 . . . . 3.02 109.858 176.757 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 614' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -66.06 -39.43 90.09 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 114.995 -1.002 . . . . 1.95 110.708 -179.377 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 615' ' ' ILE . . . . . 0.412 HD12 ' HB2' ' A' ' 542' ' ' LEU . 87.9 mt -64.93 -42.97 96.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.455 . . . . 1.08 110.429 176.505 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 616' ' ' HIS . . . . . . . . . . . . . 22.4 m-70 -66.38 -27.04 67.56 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.145 -0.48 . . . . 1.73 111.278 178.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 617' ' ' SER . . . . . . . . . . . . . 46.6 t -73.66 -31.49 63.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.199 0.523 . . . . 1.77 109.91 175.391 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 618' ' ' GLN . . . . . . . . . . . . . 49.2 mt-30 -84.88 97.07 9.54 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.808 -0.633 . . . . 5.45 109.996 176.077 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 619' ' ' ARG . . . . . . . . . . . . . 82.7 mtp180 -95.21 87.34 4.82 Favored 'General case' 0 C--N 1.313 -1.011 0 CA-C-N 116.039 -0.528 . . . . 8.54 110.779 -175.138 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 620' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -79.09 51.44 1.16 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.018 -0.537 . . . . 7.92 111.333 -179.818 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 621' ' ' ARG . . . . . . . . . . . . . 96.2 mtt180 . . . . . 0 C--O 1.249 1.034 0 CA-C-O 118.952 -0.547 . . . . 11.52 109.805 179.811 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 1' ' ' ADN . . . . . 0.785 " O2'" H5'' ' B' ' 2' ' ' ' U' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 2' ' ' ' U' . . . . . 0.785 H5'' " O2'" ' B' ' 1' ' ' ADN . . . . . . . . 0 O5'--C5' 1.427 -0.817 0 C3'-C2'-C1' 99.851 -1.832 . 0.0 '__' . 2.99 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 3' ' ' ' C' . . . . . 0.586 ' O2 ' ' HB3' ' A' ' 593' ' ' SER . . . . . . . . 0 O5'--C5' 1.426 -0.873 0 C4'-C3'-C2' 104.116 1.416 . 0.0 OUTLIER . 1.58 . . . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 4' ' ' ' U' . . . . . 0.614 ' O2 ' ' H5 ' ' B' ' 5' ' ' ' U' . . . . . . . . 0 O5'--C5' 1.426 -0.903 0 C3'-C2'-C1' 99.28 -2.467 . 0.0 OUTLIER gamma 1.21 . . . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 5' ' ' ' U' . . . . . 0.614 ' H5 ' ' O2 ' ' B' ' 4' ' ' ' U' . . . . . . . . 0 O5'--C5' 1.425 -0.934 0 O4'-C1'-N19 109.608 1.408 . 0.0 OUTLIER alpha 1.33 . . . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 6' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.424 -1.009 0 C3'-C2'-C1' 100.36 -1.266 . 0.0 OUTLIER . 4.58 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 510' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.803 0 N-CA-C 112.05 -0.42 . . . . 9.27 112.05 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 511' ' ' ALA . . . . . . . . . . . . . . . -110.24 -50.29 2.98 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.777 0.323 . . . . 6.96 110.34 177.043 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 512' ' ' MET . . . . . . . . . . . . . 26.7 ptt? -96.99 -21.22 17.54 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.17 0.51 . . . . 6.68 109.762 176.292 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 513' ' ' ALA . . . . . . . . . . . . . . . -87.71 65.12 8.32 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.634 -0.712 . . . . 4.66 109.424 174.034 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 514' ' ' GLN . . . . . . . . . . . . . 14.7 mm100 69.77 153.14 0.11 Allowed 'General case' 0 CA--C 1.53 0.186 0 CA-C-N 115.17 -0.923 . . . . 2.88 110.488 -175.039 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 515' ' ' ARG . . . . . . . . . . . . . 95.6 mtt180 -83.76 62.63 7.02 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.116 0.484 . . . . 4.64 110.516 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 516' ' ' LYS . . . . . 0.434 ' HB3' ' HG2' ' A' ' 520' ' ' ARG . 68.3 mmtt -85.99 61.12 6.65 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.25 0.548 . . . . 2.38 111.04 -176.892 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 517' ' ' GLY . . . . . . . . . . . . . . . -128.38 136.85 9.34 Favored Glycine 0 N--CA 1.445 -0.73 0 CA-C-N 115.425 -0.807 . . . . 2.04 111.325 177.486 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 518' ' ' ALA . . . . . . . . . . . . . . . 60.06 43.67 14.11 Favored 'General case' 0 N--CA 1.463 0.179 0 CA-C-O 121.219 0.533 . . . . 1.94 110.762 -178.135 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 519' ' ' GLY . . . . . . . . . . . . . . . 135.24 129.62 2.89 Favored Glycine 0 N--CA 1.447 -0.584 0 CA-C-N 115.608 -0.724 . . . . 0.98 111.385 -177.593 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 520' ' ' ARG . . . . . 0.434 ' HG2' ' HB3' ' A' ' 516' ' ' LYS . 50.0 mtm-85 -134.78 134.66 41.15 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 117.311 0.555 . . . . 2.86 111.243 179.606 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 521' ' ' VAL . . . . . 0.525 HG11 HD21 ' A' ' 599' ' ' LEU . 95.1 t -117.01 121.44 67.8 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.722 0 CA-C-N 115.225 -0.898 . . . . 1.14 110.648 171.252 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 522' ' ' VAL . . . . . 0.446 ' HB ' ' O ' ' A' ' 561' ' ' LEU . 24.2 t -121.63 122.59 67.43 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 N-CA-C 108.565 -0.902 . . . . 1.05 108.565 178.092 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 523' ' ' HIS . . . . . 0.416 ' HB2' ' OG ' ' A' ' 593' ' ' SER . 59.3 t-80 -105.69 135.4 47.18 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.097 0.475 . . . . 0.57 110.578 -175.147 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 524' ' ' ILE . . . . . . . . . . . . . 33.1 mt -111.2 138.85 37.83 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.801 0 N-CA-C 108.791 -0.818 . . . . 1.06 108.791 177.067 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 525' ' ' CYS . . . . . 0.473 ' O ' ' HB2' ' A' ' 526' ' ' ASN . 0.0 OUTLIER -132.65 159.06 40.68 Favored 'General case' 0 C--N 1.317 -0.843 0 C-N-CA 120.796 -0.362 . . . . 1.75 111.241 -171.922 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 526' ' ' ASN . . . . . 0.473 ' HB2' ' O ' ' A' ' 525' ' ' CYS . 87.4 m-20 86.95 30.67 0.03 OUTLIER 'General case' 0 N--CA 1.471 0.603 0 O-C-N 124.764 1.29 . . . . 0.28 110.924 173.784 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 527' ' ' LEU . . . . . 0.406 ' HA ' ' HD3' ' A' ' 528' ' ' PRO . 80.2 mt -92.86 124.66 57.89 Favored Pre-proline 0 C--N 1.323 -0.583 0 CA-C-N 115.561 -0.745 . . . . 1.04 109.559 177.379 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 528' ' ' PRO . . . . . 0.406 ' HD3' ' HA ' ' A' ' 527' ' ' LEU . 5.7 Cg_exo -74.23 133.68 18.15 Favored 'Trans proline' 0 N--CA 1.458 -0.606 0 C-N-CA 121.695 1.597 . . . . 0.5 111.379 -179.426 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 529' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -66.69 133.23 49.78 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 109.541 -0.54 . . . . 1.6 109.541 177.186 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 530' ' ' GLY . . . . . . . . . . . . . . . 90.42 3.54 71.9 Favored Glycine 0 N--CA 1.446 -0.645 0 N-CA-C 110.33 -1.108 . . . . 0.52 110.33 -171.113 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 531' ' ' SER . . . . . . . . . . . . . 55.5 m -149.55 9.02 0.7 Allowed 'General case' 0 N--CA 1.45 -0.457 0 CA-C-N 115.005 -0.598 . . . . 1.49 110.202 -177.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 532' ' ' CYS . . . . . 0.413 ' O ' HD11 ' A' ' 552' ' ' LEU . 59.4 m -89.71 88.03 7.23 Favored 'General case' 0 CA--C 1.51 -0.571 0 N-CA-C 108.133 -1.062 . . . . 0.25 108.133 175.88 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 533' ' ' THR . . . . . 0.513 ' O ' HG22 ' A' ' 537' ' ' VAL . 30.3 p -96.11 150.36 20.59 Favored 'General case' 0 N--CA 1.441 -0.903 0 C-N-CA 119.728 -0.789 . . . . 1.1 109.225 -177.03 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 534' ' ' GLU . . . . . 0.447 ' N ' HD13 ' A' ' 552' ' ' LEU . 29.5 mt-10 -67.25 -33.59 75.64 Favored 'General case' 0 C--N 1.317 -0.818 0 N-CA-C 108.771 -0.826 . . . . 1.64 108.771 177.144 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 535' ' ' ASN . . . . . . . . . . . . . 6.0 m120 -64.47 -49.51 71.11 Favored 'General case' 0 C--O 1.213 -0.817 0 CA-C-N 114.67 -1.15 . . . . 1.86 111.862 -178.507 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 536' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -68.65 -44.59 73.79 Favored 'General case' 0 N--CA 1.474 0.75 0 CA-C-N 118.642 0.655 . . . . 0.61 111.206 -172.637 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 537' ' ' VAL . . . . . 0.513 HG22 ' O ' ' A' ' 533' ' ' THR . 40.4 t -61.11 -48.12 90.47 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.765 0 CA-C-N 114.764 -1.107 . . . . 1.03 110.336 -178.282 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 538' ' ' ILE . . . . . 0.569 HD13 ' CG ' ' A' ' 550' ' ' TYR . 65.8 mt -68.89 -34.33 63.8 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 CA-C-N 115.795 -0.638 . . . . 1.06 111.567 176.314 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 539' ' ' ASN . . . . . 0.438 ' HA ' HD12 ' A' ' 615' ' ' ILE . 10.2 m120 -57.71 -28.54 63.93 Favored 'General case' 0 CA--C 1.514 -0.413 0 N-CA-C 110.411 -0.218 . . . . 0.25 110.411 178.622 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 540' ' ' LEU . . . . . 0.443 HD13 HD13 ' A' ' 588' ' ' LEU . 76.4 mt -76.99 -41.8 41.39 Favored 'General case' 0 C--N 1.324 -0.524 0 C-N-CA 120.797 -0.361 . . . . 1.11 110.399 174.028 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 541' ' ' GLY . . . . . 0.447 ' HA2' ' SD ' ' A' ' 572' ' ' MET . . . -62.36 -52.47 49.08 Favored Glycine 0 CA--C 1.522 0.527 0 N-CA-C 115.47 0.948 . . . . 0.19 115.47 -179.189 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 542' ' ' LEU . . . . . 0.5 ' HB2' ' CD1' ' A' ' 615' ' ' ILE . 57.4 mt -57.05 -44.32 99.72 Favored Pre-proline 0 C--N 1.318 -0.766 0 N-CA-C 114.782 1.401 . . . . 1.06 114.782 -170.148 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 543' ' ' PRO . . . . . 0.426 ' HD2' ' O ' ' A' ' 540' ' ' LEU . 51.0 Cg_exo -58.11 -26.44 75.71 Favored 'Trans proline' 0 C--N 1.349 0.604 0 C-N-CA 122.105 1.87 . . . . 0.25 113.934 -177.143 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 544' ' ' PHE . . . . . 0.481 ' HB2' ' HE2' ' A' ' 572' ' ' MET . 95.7 m-85 -103.95 -6.66 21.05 Favored 'General case' 0 C--O 1.235 0.31 0 O-C-N 121.985 -0.447 . . . . 0.38 111.577 178.926 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 545' ' ' GLY . . . . . 0.445 ' O ' ' HA ' ' A' ' 542' ' ' LEU . . . 169.51 151.84 7.54 Favored Glycine 0 C--O 1.227 -0.312 0 C-N-CA 121.004 -0.617 . . . . 0.44 111.999 -179.401 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 546' ' ' LYS . . . . . . . . . . . . . 87.4 tttt -66.37 131.16 45.46 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.039 0.447 . . . . 2.62 111.08 -177.76 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 547' ' ' VAL . . . . . 0.568 ' HB ' HG11 ' A' ' 608' ' ' VAL . 69.7 t -87.88 116.12 29.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-N 115.595 -0.729 . . . . 1.05 110.784 178.174 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 548' ' ' THR . . . . . . . . . . . . . 23.1 p -93.84 -35.0 12.93 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.105 -0.498 . . . . 1.11 111.839 179.032 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 549' ' ' ASN . . . . . 0.471 ' HB2' ' CB ' ' A' ' 562' ' ' GLU . 90.3 m-20 -142.57 160.4 40.37 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.188 0.518 . . . . 1.49 110.767 178.539 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 550' ' ' TYR . . . . . 0.569 ' CG ' HD13 ' A' ' 538' ' ' ILE . 2.9 p90 -161.22 150.99 16.99 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.22 -0.9 . . . . 0.96 109.158 179.802 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 551' ' ' ILE . . . . . 0.457 HG23 ' C4 ' ' B' ' 5' ' ' ' U' . 77.1 mt -144.39 123.95 7.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 N-CA-C 108.396 -0.965 . . . . 1.1 108.396 -175.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 552' ' ' LEU . . . . . 0.447 HD13 ' N ' ' A' ' 534' ' ' GLU . 31.5 mt -107.08 114.97 29.36 Favored 'General case' 0 C--N 1.316 -0.877 0 C-N-CA 120.198 -0.601 . . . . 1.17 110.827 -177.561 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 553' ' ' MET . . . . . 0.502 ' HE3' " H5'" ' B' ' 3' ' ' ' C' . 16.6 mtp -104.44 81.03 1.75 Allowed 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 108.366 -0.976 . . . . 1.55 108.366 -176.53 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 554' ' ' LYS . . . . . . . . . . . . . 14.1 mmtm -54.03 -29.24 42.98 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 114.703 -1.135 . . . . 1.63 112.533 177.188 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 555' ' ' SER . . . . . . . . . . . . . 65.4 p -69.16 -45.32 70.33 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.65 0.262 . . . . 0.7 111.671 -171.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 556' ' ' THR . . . . . 0.435 ' O ' ' HG3' ' A' ' 558' ' ' GLN . 44.1 p -99.83 6.83 45.32 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 112.352 0.501 . . . . 1.14 112.352 -176.169 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 557' ' ' ASN . . . . . . . . . . . . . 16.7 m120 60.18 42.26 15.65 Favored 'General case' 0 C--O 1.236 0.38 0 CA-C-O 121.522 0.677 . . . . 2.03 110.175 -176.735 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 558' ' ' GLN . . . . . 0.435 ' HG3' ' O ' ' A' ' 556' ' ' THR . 76.9 mt-30 -139.52 167.18 22.68 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.21 -0.904 . . . . 1.24 110.044 -175.143 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 559' ' ' ALA . . . . . . . . . . . . . . . -158.95 165.88 33.1 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.976 0.417 . . . . 1.04 111.531 177.577 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 560' ' ' PHE . . . . . 0.442 ' HB2' ' HB ' ' A' ' 551' ' ' ILE . 83.8 m-85 -119.54 151.0 39.33 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.172 -0.467 . . . . 0.46 111.269 175.401 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 561' ' ' LEU . . . . . 0.446 ' O ' ' HB ' ' A' ' 522' ' ' VAL . 54.4 tp -137.46 118.81 14.68 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.252 -0.885 . . . . 1.06 109.78 179.836 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 562' ' ' GLU . . . . . 0.471 ' CB ' ' HB2' ' A' ' 549' ' ' ASN . 28.6 tt0 -99.93 124.96 45.82 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.417 0.627 . . . . 2.09 110.216 178.624 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 563' ' ' MET . . . . . 0.597 ' SD ' ' HA ' ' A' ' 569' ' ' ALA . 26.9 mtt -111.23 146.66 36.56 Favored 'General case' 0 C--N 1.315 -0.898 0 CA-C-N 114.989 -1.005 . . . . 1.06 109.531 -175.595 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 564' ' ' ALA . . . . . . . . . . . . . . . -66.62 -22.81 66.11 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.792 -0.64 . . . . 1.25 112.554 -170.856 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 565' ' ' TYR . . . . . 0.417 ' HB3' ' HG2' ' A' ' 567' ' ' GLU . 83.1 m-85 -143.32 156.8 44.8 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.005 0.431 . . . . 1.39 110.748 -179.878 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 566' ' ' THR . . . . . . . . . . . . . 12.2 t -68.12 -27.21 66.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.512 -0.767 . . . . 1.24 110.576 -178.597 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 567' ' ' GLU . . . . . 0.417 ' HG2' ' HB3' ' A' ' 565' ' ' TYR . 9.3 pt-20 -55.93 -32.97 64.27 Favored 'General case' 0 N--CA 1.462 0.149 0 CA-C-N 115.861 -0.609 . . . . 0.89 110.986 176.612 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 568' ' ' ALA . . . . . 0.598 ' O ' ' HG3' ' A' ' 572' ' ' MET . . . -73.55 -43.99 58.54 Favored 'General case' 0 N--CA 1.45 -0.431 0 CA-C-N 115.608 -0.724 . . . . 1.08 110.938 -176.525 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 569' ' ' ALA . . . . . 0.597 ' HA ' ' SD ' ' A' ' 563' ' ' MET . . . -64.39 -45.66 86.7 Favored 'General case' 0 CA--C 1.518 -0.258 0 CA-C-N 116.136 -0.484 . . . . 1.0 111.316 -174.871 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 570' ' ' GLN . . . . . . . . . . . . . 12.7 pt20 -67.64 -36.17 80.27 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.242 -0.436 . . . . 1.72 110.747 -179.138 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 571' ' ' ALA . . . . . . . . . . . . . . . -64.4 -45.51 87.28 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.238 -0.437 . . . . 1.08 110.972 179.882 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 572' ' ' MET . . . . . 0.598 ' HG3' ' O ' ' A' ' 568' ' ' ALA . 28.3 mtt -68.95 -43.48 74.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.358 -0.383 . . . . 1.05 111.071 -177.657 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 573' ' ' VAL . . . . . 0.531 HG21 ' O ' ' A' ' 569' ' ' ALA . 87.8 t -59.09 -47.94 88.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 C-N-CA 120.943 -0.303 . . . . 1.08 110.46 -178.903 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 574' ' ' GLN . . . . . . . . . . . . . 23.0 mt-30 -66.73 -37.5 84.79 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.847 0.356 . . . . 2.79 111.029 179.666 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 575' ' ' TYR . . . . . . . . . . . . . 86.9 t80 -68.0 -53.17 27.96 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.282 -0.417 . . . . 1.09 111.109 -178.746 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 576' ' ' TYR . . . . . 0.443 ' CD2' HD12 ' A' ' 590' ' ' ILE . 84.2 m-85 -73.72 -12.64 60.78 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 113.055 0.761 . . . . 1.03 113.055 -176.646 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 577' ' ' GLN . . . . . 0.513 ' HG3' ' O ' ' A' ' 573' ' ' VAL . 25.2 mt-30 -78.98 -33.96 44.64 Favored 'General case' 0 C--N 1.323 -0.56 0 C-N-CA 120.314 -0.554 . . . . 2.14 110.242 172.654 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 578' ' ' GLU . . . . . . . . . . . . . 16.5 mm-40 -88.72 -38.87 14.39 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.798 0.332 . . . . 2.14 110.932 177.013 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 579' ' ' LYS . . . . . 0.416 ' O ' ' HA ' ' A' ' 576' ' ' TYR . 97.5 mttt -132.2 92.47 28.8 Favored Pre-proline 0 C--N 1.327 -0.388 0 N-CA-C 109.648 -0.501 . . . . 2.95 109.648 176.601 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 580' ' ' PRO . . . . . . . . . . . . . 57.5 Cg_endo -72.46 160.4 46.86 Favored 'Trans proline' 0 N--CA 1.462 -0.371 0 C-N-CA 122.661 2.241 . . . . 0.51 112.691 -177.17 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 581' ' ' ALA . . . . . . . . . . . . . . . -93.31 133.33 36.65 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.856 -0.611 . . . . 1.09 109.364 176.776 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 582' ' ' ILE . . . . . . . . . . . . . 55.8 mt -99.95 120.42 49.34 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.816 0 CA-C-O 120.819 0.343 . . . . 1.19 110.755 -176.019 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 583' ' ' ILE . . . . . 0.42 HG13 HD11 ' A' ' 588' ' ' LEU . 32.7 mm -123.11 111.59 30.32 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 116.12 -0.491 . . . . 1.21 109.68 176.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 584' ' ' ASN . . . . . . . . . . . . . 54.1 m-80 54.73 37.07 27.69 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-O 121.492 0.663 . . . . 1.34 110.583 -177.8 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 585' ' ' GLY . . . . . . . . . . . . . . . 84.59 2.63 88.77 Favored Glycine 0 N--CA 1.447 -0.614 0 CA-C-N 115.12 -0.946 . . . . 0.51 113.872 176.55 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 586' ' ' GLU . . . . . . . . . . . . . 33.6 mt-10 -111.29 126.96 55.45 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 117.375 0.587 . . . . 1.79 110.917 178.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 587' ' ' LYS . . . . . . . . . . . . . 95.0 mttt -73.83 126.16 29.78 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.447 -0.797 . . . . 2.25 111.384 179.631 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 588' ' ' LEU . . . . . 0.443 HD13 HD13 ' A' ' 540' ' ' LEU . 32.6 mt -80.67 141.27 35.08 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.065 0.459 . . . . 1.03 111.322 -179.843 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 589' ' ' LEU . . . . . . . . . . . . . 58.6 tp -112.54 111.21 21.88 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.594 -0.73 . . . . 1.13 110.352 176.905 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 590' ' ' ILE . . . . . 0.443 HD12 ' CD2' ' A' ' 576' ' ' TYR . 21.8 mt -102.61 120.04 51.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 N-CA-C 109.939 -0.393 . . . . 1.08 109.939 175.68 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 591' ' ' ARG . . . . . . . . . . . . . 76.4 mtt180 -147.5 165.63 29.71 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.996 0.427 . . . . 3.18 110.475 -177.78 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 592' ' ' MET . . . . . . . . . . . . . 62.9 mtt -82.32 136.98 34.92 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.902 -0.59 . . . . 1.13 110.561 -178.161 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 593' ' ' SER . . . . . 0.586 ' HB3' ' O2 ' ' B' ' 3' ' ' ' C' . 18.1 m -81.81 139.09 34.98 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.04 0.448 . . . . 1.65 111.528 -177.428 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 594' ' ' THR . . . . . . . . . . . . . 18.9 p -92.8 -13.51 29.08 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.123 -0.944 . . . . 1.14 113.028 -177.61 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 595' ' ' ARG . . . . . 0.464 ' HD2' " O2'" ' B' ' 3' ' ' ' C' . 68.5 mtt180 -103.14 -29.74 11.14 Favored 'General case' 0 N--CA 1.465 0.287 0 N-CA-C 113.149 0.796 . . . . 3.37 113.149 -170.927 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 596' ' ' TYR . . . . . . . . . . . . . 50.6 m-85 -117.69 146.98 43.35 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 112.471 0.545 . . . . 1.15 112.471 -175.781 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 597' ' ' LYS . . . . . 0.467 ' N ' ' HD2' ' A' ' 597' ' ' LYS . 0.5 OUTLIER -108.44 -12.7 14.98 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.37 -0.832 . . . . 2.63 111.611 178.701 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 598' ' ' GLU . . . . . . . . . . . . . 45.4 tt0 -146.37 149.45 33.8 Favored 'General case' 0 C--N 1.326 -0.441 0 C-N-CA 120.66 -0.416 . . . . 0.95 111.005 178.894 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 599' ' ' LEU . . . . . 0.525 HD21 HG11 ' A' ' 521' ' ' VAL . 72.8 mt -105.54 126.01 51.64 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.448 -0.796 . . . . 1.18 111.238 177.627 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 600' ' ' GLN . . . . . . . . . . . . . 28.5 tt0 -110.19 127.24 54.83 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.878 -0.601 . . . . 1.65 110.305 179.398 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 601' ' ' LEU . . . . . . . . . . . . . 68.4 mt -81.65 94.38 6.94 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.815 0.341 . . . . 1.23 110.817 -179.764 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 602' ' ' LYS . . . . . . . . . . . . . 96.6 mttt -76.31 -15.3 60.02 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.106 0.479 . . . . 2.22 110.56 176.45 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 603' ' ' LYS . . . . . . . . . . . . . 33.6 mmtp -119.5 155.59 54.09 Favored Pre-proline 0 C--N 1.324 -0.511 0 CA-C-N 115.853 -0.612 . . . . 2.26 109.825 179.086 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 604' ' ' PRO . . . . . . . . . . . . . 21.3 Cg_endo -61.31 153.5 65.06 Favored 'Trans proline' 0 C--N 1.346 0.423 0 C-N-CA 122.867 2.378 . . . . 1.26 112.52 178.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 605' ' ' GLY . . . . . . . . . . . . . . . -116.44 164.72 12.28 Favored Glycine 0 N--CA 1.435 -1.374 0 C-N-CA 120.909 -0.663 . . . . 1.23 111.928 -179.842 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 606' ' ' LYS . . . . . . . . . . . . . 87.9 mttt -116.64 153.07 32.94 Favored 'General case' 0 C--N 1.307 -1.244 0 N-CA-C 108.391 -0.966 . . . . 3.96 108.391 177.697 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 607' ' ' ASN . . . . . . . . . . . . . 30.3 t30 -56.54 120.84 8.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.266 0.555 . . . . 1.8 111.039 179.219 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 608' ' ' VAL . . . . . 0.568 HG11 ' HB ' ' A' ' 547' ' ' VAL . 92.5 t -89.12 -20.97 6.99 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.684 0 CA-C-N 115.275 -0.875 . . . . 1.07 110.868 -174.121 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 609' ' ' ALA . . . . . . . . . . . . . . . -63.67 -34.52 78.03 Favored 'General case' 0 C--O 1.239 0.503 0 CA-C-O 121.606 0.717 . . . . 1.27 110.027 174.175 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 610' ' ' ALA . . . . . . . . . . . . . . . -65.72 -27.27 68.2 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.431 -0.804 . . . . 1.14 110.017 175.72 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 611' ' ' ILE . . . . . 0.457 ' O ' ' HB3' ' A' ' 614' ' ' ASP . 75.0 mt -72.05 -29.44 32.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 115.792 -0.64 . . . . 1.03 109.904 177.915 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 612' ' ' ILE . . . . . . . . . . . . . 64.4 mt -61.19 -43.93 97.37 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.238 0 N-CA-C 109.519 -0.549 . . . . 1.11 109.519 171.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 613' ' ' GLN . . . . . . . . . . . . . 33.0 mm-40 -62.82 -32.89 74.18 Favored 'General case' 0 N--CA 1.463 0.194 0 CA-C-N 115.926 -0.579 . . . . 3.02 110.241 174.632 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 614' ' ' ASP . . . . . 0.457 ' HB3' ' O ' ' A' ' 611' ' ' ILE . 31.6 t70 -65.5 -44.97 85.36 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.071 -0.968 . . . . 1.95 110.43 179.604 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 615' ' ' ILE . . . . . 0.5 ' CD1' ' HB2' ' A' ' 542' ' ' LEU . 91.6 mt -62.67 -45.52 98.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 115.931 -0.577 . . . . 1.08 110.997 177.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 616' ' ' HIS . . . . . . . . . . . . . 19.6 m-70 -65.09 -32.73 74.57 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.077 -0.51 . . . . 1.73 111.246 -179.593 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 617' ' ' SER . . . . . . . . . . . . . 22.8 t -71.38 -36.52 71.45 Favored 'General case' 0 N--CA 1.449 -0.476 0 CA-C-N 116.281 -0.418 . . . . 1.77 110.339 179.412 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 618' ' ' GLN . . . . . . . . . . . . . 14.0 mm100 -92.93 -1.9 56.3 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.046 0.451 . . . . 5.45 111.129 -178.053 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 619' ' ' ARG . . . . . . . . . . . . . 59.6 mtp180 61.57 37.75 16.06 Favored 'General case' 0 C--O 1.233 0.213 0 CA-C-N 115.322 -0.854 . . . . 8.54 112.029 176.893 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 620' ' ' GLU . . . . . . . . . . . . . 48.2 mt-10 65.85 146.74 0.04 OUTLIER 'General case' 0 N--CA 1.471 0.589 0 O-C-N 123.722 0.639 . . . . 7.92 112.691 179.039 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 621' ' ' ARG . . . . . . . . . . . . . 24.1 ttm180 . . . . . 0 C--O 1.25 1.1 0 CA-C-N 115.184 -0.917 . . . . 11.52 111.872 174.162 . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' B' B ' 1' ' ' ADN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' B' B ' 2' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.934 0 C4'-C3'-C2' 104.237 1.537 . 0.0 '__' . 2.99 . . . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' B' B ' 3' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.939 0 C4'-C3'-C2' 104.032 1.332 . 0.0 OUTLIER . 1.58 . . . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 4' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.807 0 C3'-C2'-C1' 100.147 -1.503 . 0.0 OUTLIER gamma 1.21 . . . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 5' ' ' ' U' . . . . . 0.535 " H4'" ' HA ' ' A' ' 553' ' ' MET . . . . . . . . 0 O5'--C5' 1.425 -0.91 0 C4'-C3'-C2' 104.077 1.377 . 0.0 OUTLIER alpha 1.33 . . . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 6' ' ' ' A' . . . . . 0.464 ' N3 ' ' HE3' ' A' ' 603' ' ' LYS . . . . . . . . 0 O5'--C5' 1.426 -0.88 0 C3'-C2'-C1' 100.761 -0.821 . 0.0 OUTLIER . 4.58 . . . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 510' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.62 0 N-CA-C 111.952 -0.459 . . . . 9.27 111.952 . . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' A' A ' 511' ' ' ALA . . . . . . . . . . . . . . . -96.01 100.36 12.04 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.989 0.423 . . . . 6.96 110.466 -179.206 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 512' ' ' MET . . . . . . . . . . . . . 1.7 pmm? -83.64 150.46 25.88 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.928 -0.578 . . . . 6.68 109.991 179.691 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 513' ' ' ALA . . . . . 0.588 ' O ' ' HG2' ' A' ' 516' ' ' LYS . . . 59.3 33.68 22.64 Favored 'General case' 0 C--N 1.332 -0.178 0 O-C-N 123.588 0.555 . . . . 4.66 111.036 178.898 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 514' ' ' GLN . . . . . . . . . . . . . 15.7 mm100 65.72 -76.94 0.04 OUTLIER 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 115.847 -0.615 . . . . 2.88 109.81 -173.135 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 515' ' ' ARG . . . . . . . . . . . . . 64.3 mtp180 -156.47 -69.0 0.11 Allowed 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 108.916 -0.772 . . . . 4.64 108.916 175.693 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 516' ' ' LYS . . . . . 0.588 ' HG2' ' O ' ' A' ' 513' ' ' ALA . 63.2 mmtt 54.11 47.04 24.14 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 115.405 -0.816 . . . . 2.38 110.432 178.934 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 517' ' ' GLY . . . . . . . . . . . . . . . -131.56 128.98 5.52 Favored Glycine 0 N--CA 1.445 -0.713 0 N-CA-C 110.164 -1.174 . . . . 2.04 110.164 175.875 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 518' ' ' ALA . . . . . . . . . . . . . . . 57.55 35.83 26.21 Favored 'General case' 0 C--O 1.232 0.167 0 CA-C-O 121.576 0.703 . . . . 1.94 109.456 -171.159 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 519' ' ' GLY . . . . . . . . . . . . . . . 150.6 113.95 0.64 Allowed Glycine 0 N--CA 1.445 -0.766 0 CA-C-N 115.087 -0.96 . . . . 0.98 111.213 -176.109 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 520' ' ' ARG . . . . . . . . . . . . . 21.6 mtm-85 -122.11 132.99 54.76 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 117.318 0.559 . . . . 2.86 110.676 176.691 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 521' ' ' VAL . . . . . 0.463 HG13 HD22 ' A' ' 599' ' ' LEU . 65.4 t -120.29 126.0 74.8 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 115.636 -0.711 . . . . 1.14 110.772 168.268 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 522' ' ' VAL . . . . . 0.542 ' HB ' ' O ' ' A' ' 561' ' ' LEU . 21.9 t -119.37 121.5 66.64 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.796 0 N-CA-C 107.368 -1.345 . . . . 1.05 107.368 172.452 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 523' ' ' HIS . . . . . . . . . . . . . 39.9 t-80 -106.4 129.91 54.31 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 121.229 0.538 . . . . 0.57 110.884 -172.198 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 524' ' ' ILE . . . . . 0.414 HG12 HG12 ' A' ' 590' ' ' ILE . 32.3 mt -111.11 140.52 30.01 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.918 0 N-CA-C 108.692 -0.855 . . . . 1.06 108.692 179.149 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 525' ' ' CYS . . . . . 0.486 ' O ' ' HB2' ' A' ' 526' ' ' ASN . 4.0 p -140.39 162.75 34.57 Favored 'General case' 0 C--N 1.316 -0.889 0 C-N-CA 120.606 -0.438 . . . . 1.75 111.827 -175.814 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 526' ' ' ASN . . . . . 0.486 ' HB2' ' O ' ' A' ' 525' ' ' CYS . 95.3 m-20 87.62 28.2 0.03 OUTLIER 'General case' 0 N--CA 1.472 0.658 0 O-C-N 124.922 1.389 . . . . 0.28 110.651 177.732 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 527' ' ' LEU . . . . . 0.409 ' HA ' ' HD3' ' A' ' 528' ' ' PRO . 90.0 mt -84.03 125.14 73.47 Favored Pre-proline 0 C--N 1.321 -0.646 0 N-CA-C 108.348 -0.982 . . . . 1.04 108.348 177.118 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 528' ' ' PRO . . . . . 0.409 ' HD3' ' HA ' ' A' ' 527' ' ' LEU . 3.1 Cg_exo -73.5 134.43 20.54 Favored 'Trans proline' 0 N--CA 1.458 -0.6 0 C-N-CA 121.446 1.431 . . . . 0.5 111.678 -178.734 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 529' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -64.61 138.3 58.32 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.029 -0.532 . . . . 1.6 109.568 178.153 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 530' ' ' GLY . . . . . . . . . . . . . . . 85.35 4.72 85.88 Favored Glycine 0 N--CA 1.445 -0.705 0 C-N-CA 120.07 -1.062 . . . . 0.52 111.157 -173.811 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 531' ' ' SER . . . . . . . . . . . . . 50.6 m -150.69 10.22 0.63 Allowed 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.142 0.496 . . . . 1.49 110.292 -176.249 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 532' ' ' CYS . . . . . 0.503 ' HB2' ' HD2' ' A' ' 554' ' ' LYS . 66.6 m -89.77 88.93 7.55 Favored 'General case' 0 N--CA 1.451 -0.417 0 N-CA-C 108.639 -0.874 . . . . 0.25 108.639 178.448 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 533' ' ' THR . . . . . 0.529 ' O ' HG23 ' A' ' 537' ' ' VAL . 72.6 p -102.03 151.1 22.55 Favored 'General case' 0 N--CA 1.443 -0.796 0 N-CA-C 109.018 -0.734 . . . . 1.1 109.018 -178.118 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 534' ' ' GLU . . . . . 0.527 ' HA ' HD13 ' A' ' 552' ' ' LEU . 13.0 mp0 -65.73 -33.78 76.67 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-O 121.472 0.653 . . . . 1.64 109.283 177.838 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 535' ' ' ASN . . . . . . . . . . . . . 64.6 t30 -62.32 -49.3 76.16 Favored 'General case' 0 N--CA 1.447 -0.611 0 CA-C-N 114.599 -1.182 . . . . 1.86 110.911 -176.373 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 536' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -70.42 -42.97 70.91 Favored 'General case' 0 N--CA 1.472 0.635 0 CA-C-O 121.109 0.48 . . . . 0.61 111.808 -173.25 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 537' ' ' VAL . . . . . 0.529 HG23 ' O ' ' A' ' 533' ' ' THR . 34.9 t -59.89 -47.61 90.9 Favored 'Isoleucine or valine' 0 C--O 1.243 0.736 0 CA-C-O 122.14 0.972 . . . . 1.03 109.694 -179.451 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 538' ' ' ILE . . . . . 0.601 HD11 ' CG ' ' A' ' 550' ' ' TYR . 68.0 mt -68.3 -33.1 58.58 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.772 0 CA-C-N 115.056 -0.974 . . . . 1.06 111.323 175.855 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 539' ' ' ASN . . . . . . . . . . . . . 10.2 m120 -57.46 -28.19 63.13 Favored 'General case' 0 CA--C 1.513 -0.446 0 N-CA-C 110.366 -0.235 . . . . 0.25 110.366 177.279 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 540' ' ' LEU . . . . . 0.422 HD12 HD12 ' A' ' 588' ' ' LEU . 74.0 mt -76.45 -41.52 47.08 Favored 'General case' 0 C--N 1.323 -0.567 0 C-N-CA 120.668 -0.413 . . . . 1.11 110.326 174.421 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 541' ' ' GLY . . . . . 0.456 ' HA2' ' SD ' ' A' ' 572' ' ' MET . . . -65.95 -52.63 35.98 Favored Glycine 0 CA--C 1.524 0.651 0 N-CA-C 115.533 0.973 . . . . 0.19 115.533 -179.122 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 542' ' ' LEU . . . . . 0.454 ' HB2' ' CD1' ' A' ' 615' ' ' ILE . 48.4 mt -55.63 -47.05 99.53 Favored Pre-proline 0 C--N 1.32 -0.678 0 N-CA-C 115.007 1.484 . . . . 1.06 115.007 -168.711 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 543' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_exo -58.08 -23.79 62.72 Favored 'Trans proline' 0 C--N 1.348 0.529 0 C-N-CA 122.25 1.966 . . . . 0.25 114.303 -176.058 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 544' ' ' PHE . . . . . 0.473 ' HB2' ' HE2' ' A' ' 572' ' ' MET . 99.6 m-85 -101.63 -16.57 16.68 Favored 'General case' 0 C--O 1.233 0.207 0 O-C-N 121.916 -0.49 . . . . 0.38 111.131 177.744 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 545' ' ' GLY . . . . . 0.432 ' O ' ' HA ' ' A' ' 542' ' ' LEU . . . -179.47 152.6 11.19 Favored Glycine 0 N--CA 1.448 -0.507 0 C-N-CA 120.723 -0.751 . . . . 0.44 112.004 -179.22 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 546' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -66.18 129.59 40.32 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 120.989 0.423 . . . . 2.62 110.79 -178.481 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 547' ' ' VAL . . . . . 0.546 ' HB ' HG11 ' A' ' 608' ' ' VAL . 72.8 t -86.08 114.66 26.08 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 CA-C-N 115.63 -0.714 . . . . 1.05 110.117 177.752 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 548' ' ' THR . . . . . . . . . . . . . 25.5 p -92.06 -36.33 13.42 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.14 -0.482 . . . . 1.11 111.363 -179.44 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 549' ' ' ASN . . . . . . . . . . . . . 21.1 m120 -145.58 156.77 43.9 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.96 -0.564 . . . . 1.49 110.368 178.642 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 550' ' ' TYR . . . . . 0.601 ' CG ' HD11 ' A' ' 538' ' ' ILE . 3.9 p90 -157.3 150.99 24.21 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 116.109 -0.496 . . . . 0.96 109.708 -179.038 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 551' ' ' ILE . . . . . 0.423 ' HB ' ' HB2' ' A' ' 560' ' ' PHE . 52.0 mt -144.05 123.81 8.14 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 N-CA-C 108.04 -1.096 . . . . 1.1 108.04 -179.857 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 552' ' ' LEU . . . . . 0.527 HD13 ' HA ' ' A' ' 534' ' ' GLU . 21.0 mt -108.06 130.47 55.08 Favored 'General case' 0 C--N 1.313 -1.003 0 C-N-CA 119.074 -1.05 . . . . 1.17 110.322 179.988 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 553' ' ' MET . . . . . 0.535 ' HA ' " H4'" ' B' ' 5' ' ' ' U' . 65.7 mtm -109.19 83.31 1.73 Allowed 'General case' 0 C--N 1.318 -0.78 0 N-CA-C 108.695 -0.854 . . . . 1.55 108.695 179.179 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 554' ' ' LYS . . . . . 0.503 ' HD2' ' HB2' ' A' ' 532' ' ' CYS . 20.8 mmtp -53.17 -28.07 24.52 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 114.703 -1.135 . . . . 1.63 112.174 175.948 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 555' ' ' SER . . . . . . . . . . . . . 64.1 p -69.16 -44.09 72.96 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.71 0.29 . . . . 0.7 111.505 -175.869 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 556' ' ' THR . . . . . . . . . . . . . 41.8 p -98.75 4.13 47.69 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 112.372 0.508 . . . . 1.14 112.372 -174.895 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 557' ' ' ASN . . . . . . . . . . . . . 40.2 m-80 58.72 37.86 25.04 Favored 'General case' 0 N--CA 1.467 0.419 0 CA-C-O 121.585 0.707 . . . . 2.03 110.416 -176.657 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 558' ' ' GLN . . . . . . . . . . . . . 77.8 mt-30 -143.65 167.19 22.84 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.224 -0.898 . . . . 1.24 109.193 -176.56 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 559' ' ' ALA . . . . . . . . . . . . . . . -157.77 166.53 32.5 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 112.601 0.593 . . . . 1.04 112.601 -175.475 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 560' ' ' PHE . . . . . 0.423 ' HB2' ' HB ' ' A' ' 551' ' ' ILE . 89.7 m-85 -120.32 143.31 48.44 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.278 -0.874 . . . . 0.46 110.443 177.624 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 561' ' ' LEU . . . . . 0.542 ' O ' ' HB ' ' A' ' 522' ' ' VAL . 61.2 tp -135.83 119.74 17.43 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.999 -0.546 . . . . 1.06 110.34 -178.692 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 562' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -102.51 136.38 42.44 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.152 0.501 . . . . 2.09 110.204 177.317 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 563' ' ' MET . . . . . 0.642 ' SD ' ' HA ' ' A' ' 569' ' ' ALA . 34.9 mtt -120.1 163.43 17.69 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.52 -0.764 . . . . 1.06 109.801 -172.424 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 564' ' ' ALA . . . . . . . . . . . . . . . -62.95 -43.24 99.33 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 118.203 0.456 . . . . 1.25 111.698 -172.6 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 565' ' ' TYR . . . . . . . . . . . . . 89.1 m-85 -135.45 161.99 33.9 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 120.975 0.417 . . . . 1.39 111.148 -179.347 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 566' ' ' THR . . . . . . . . . . . . . 14.1 t -64.7 -27.95 69.26 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-N 115.634 -0.712 . . . . 1.24 110.8 -178.499 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 567' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -58.84 -32.62 69.58 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-N 116.06 -0.518 . . . . 0.89 111.089 178.619 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 568' ' ' ALA . . . . . 0.663 ' O ' ' HG3' ' A' ' 572' ' ' MET . . . -73.79 -41.53 62.25 Favored 'General case' 0 N--CA 1.45 -0.467 0 CA-C-N 116.115 -0.493 . . . . 1.08 110.056 -178.506 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 569' ' ' ALA . . . . . 0.642 ' HA ' ' SD ' ' A' ' 563' ' ' MET . . . -63.32 -46.08 88.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.853 -0.612 . . . . 1.0 111.292 -176.325 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 570' ' ' GLN . . . . . . . . . . . . . 17.0 pt20 -68.24 -36.4 79.4 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.188 -0.46 . . . . 1.72 110.654 -178.265 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 571' ' ' ALA . . . . . . . . . . . . . . . -64.5 -44.77 89.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.124 -0.489 . . . . 1.08 111.133 179.893 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 572' ' ' MET . . . . . 0.663 ' HG3' ' O ' ' A' ' 568' ' ' ALA . 26.1 mtt -69.18 -42.62 75.6 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.539 -0.3 . . . . 1.05 110.805 -178.938 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 573' ' ' VAL . . . . . 0.509 HG22 ' O ' ' A' ' 569' ' ' ALA . 75.1 t -59.38 -46.53 92.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 N-CA-C 110.315 -0.254 . . . . 1.08 110.315 179.199 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 574' ' ' GLN . . . . . 0.418 ' HA ' ' OE1' ' A' ' 574' ' ' GLN . 14.6 mm-40 -61.14 -38.07 85.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.954 0.406 . . . . 2.79 110.722 178.039 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 575' ' ' TYR . . . . . . . . . . . . . 87.9 t80 -69.48 -53.16 20.54 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.761 -0.654 . . . . 1.09 111.366 -178.05 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 576' ' ' TYR . . . . . 0.472 ' CD2' HD12 ' A' ' 590' ' ' ILE . 94.5 m-85 -77.01 -13.79 59.91 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 112.997 0.74 . . . . 1.03 112.997 -174.378 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 577' ' ' GLN . . . . . 0.503 ' HG3' ' O ' ' A' ' 573' ' ' VAL . 48.3 mt-30 -75.03 -32.19 61.52 Favored 'General case' 0 C--N 1.326 -0.435 0 C-N-CA 120.061 -0.656 . . . . 2.14 109.419 171.786 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 578' ' ' GLU . . . . . . . . . . . . . 17.3 mm-40 -89.91 -38.94 13.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.943 -0.572 . . . . 2.14 111.516 176.181 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 579' ' ' LYS . . . . . . . . . . . . . 58.8 mtpt -134.31 85.56 38.2 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 116.719 -0.218 . . . . 2.95 110.864 -179.624 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 580' ' ' PRO . . . . . . . . . . . . . 36.4 Cg_endo -65.71 160.1 45.18 Favored 'Trans proline' 0 C--O 1.233 0.259 0 C-N-CA 122.826 2.351 . . . . 0.51 112.388 178.683 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 581' ' ' ALA . . . . . . . . . . . . . . . -93.04 144.82 24.88 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.352 -0.385 . . . . 1.09 110.195 -179.994 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 582' ' ' ILE . . . . . . . . . . . . . 59.1 mt -101.27 121.82 52.61 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 N-CA-C 111.865 0.32 . . . . 1.19 111.865 -176.937 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 583' ' ' ILE . . . . . . . . . . . . . 30.3 mm -126.78 111.16 25.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 N-CA-C 109.139 -0.689 . . . . 1.21 109.139 170.16 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 584' ' ' ASN . . . . . . . . . . . . . 83.6 m-20 56.13 35.77 26.25 Favored 'General case' 0 N--CA 1.464 0.275 0 CA-C-O 121.533 0.682 . . . . 1.34 110.514 -179.387 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 585' ' ' GLY . . . . . . . . . . . . . . . 83.8 6.91 86.53 Favored Glycine 0 N--CA 1.443 -0.849 0 CA-C-N 115.307 -0.861 . . . . 0.51 113.546 177.287 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 586' ' ' GLU . . . . . . . . . . . . . 20.3 mm-40 -101.14 125.07 47.73 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 117.367 0.583 . . . . 1.79 110.593 177.353 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 587' ' ' LYS . . . . . . . . . . . . . 74.0 mmtt -74.56 111.39 9.7 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.679 -0.692 . . . . 2.25 110.51 174.497 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 588' ' ' LEU . . . . . 0.422 HD12 HD12 ' A' ' 540' ' ' LEU . 56.1 mt -78.54 134.4 37.26 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.791 0.329 . . . . 1.03 110.767 -178.957 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 589' ' ' LEU . . . . . 0.448 ' HB3' ' SG ' ' A' ' 525' ' ' CYS . 57.9 tp -112.8 114.24 26.7 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.05 -0.523 . . . . 1.13 110.864 -178.191 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 590' ' ' ILE . . . . . 0.472 HD12 ' CD2' ' A' ' 576' ' ' TYR . 21.6 mt -100.35 120.88 50.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 N-CA-C 109.938 -0.393 . . . . 1.08 109.938 175.847 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 591' ' ' ARG . . . . . . . . . . . . . 69.4 mtp180 -146.89 165.42 29.81 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 109.633 -0.506 . . . . 3.18 109.633 -177.707 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 592' ' ' MET . . . . . 0.502 ' SD ' ' HB2' ' A' ' 513' ' ' ALA . 55.7 mtt -83.01 141.74 31.86 Favored 'General case' 0 C--N 1.319 -0.761 0 C-N-CA 120.911 -0.316 . . . . 1.13 110.54 -178.141 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 593' ' ' SER . . . . . . . . . . . . . 48.3 t -79.22 133.32 36.68 Favored 'General case' 0 C--O 1.239 0.521 0 CA-C-O 121.213 0.53 . . . . 1.65 111.166 -177.845 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 594' ' ' THR . . . . . . . . . . . . . 19.4 p -90.0 -14.95 32.9 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 114.578 -1.192 . . . . 1.14 111.342 179.179 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 595' ' ' ARG . . . . . . . . . . . . . 94.4 mtt180 -100.92 -29.53 12.16 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.758 0.313 . . . . 3.37 111.822 -173.084 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 596' ' ' TYR . . . . . . . . . . . . . 68.5 m-85 -118.87 143.29 47.06 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.424 0.631 . . . . 1.15 112.112 -175.663 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 597' ' ' LYS . . . . . . . . . . . . . 24.6 mmtp -107.5 -21.5 12.88 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 114.873 -1.058 . . . . 2.63 110.16 179.762 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 598' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -142.31 150.87 41.39 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.981 0.419 . . . . 0.95 110.812 -175.89 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 599' ' ' LEU . . . . . 0.463 HD22 HG13 ' A' ' 521' ' ' VAL . 74.0 mt -111.56 121.14 44.37 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.737 -0.665 . . . . 1.18 110.65 177.733 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 600' ' ' GLN . . . . . . . . . . . . . 28.8 tt0 -112.01 114.01 26.64 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.894 -0.593 . . . . 1.65 110.346 179.771 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 601' ' ' LEU . . . . . . . . . . . . . 57.6 mt -72.18 105.98 4.21 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.886 0.374 . . . . 1.23 111.039 179.186 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 602' ' ' LYS . . . . . . . . . . . . . 55.8 mtmt -90.33 -11.05 41.83 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 121.279 0.562 . . . . 2.22 110.069 174.01 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 603' ' ' LYS . . . . . 0.464 ' HE3' ' N3 ' ' B' ' 6' ' ' ' A' . 74.3 mmtt -119.83 148.05 45.53 Favored Pre-proline 0 C--N 1.325 -0.499 0 CA-C-N 115.468 -0.787 . . . . 2.26 109.706 177.605 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 604' ' ' PRO . . . . . . . . . . . . . 40.5 Cg_endo -67.57 149.3 79.57 Favored 'Trans proline' 0 C--N 1.344 0.339 0 C-N-CA 122.517 2.145 . . . . 1.26 112.221 -179.472 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 605' ' ' GLY . . . . . . . . . . . . . . . -114.04 176.94 17.47 Favored Glycine 0 N--CA 1.437 -1.293 0 C-N-CA 120.834 -0.698 . . . . 1.23 111.492 -177.68 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 606' ' ' LYS . . . . . . . . . . . . . 32.8 mmtp -115.15 158.5 22.12 Favored 'General case' 0 C--N 1.307 -1.239 0 N-CA-C 108.684 -0.858 . . . . 3.96 108.684 179.533 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 607' ' ' ASN . . . . . . . . . . . . . 32.0 t30 -57.43 120.61 8.53 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.295 0.569 . . . . 1.8 110.885 176.056 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 608' ' ' VAL . . . . . 0.546 HG11 ' HB ' ' A' ' 547' ' ' VAL . 95.3 t -86.05 -18.44 8.83 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 CA-C-N 115.281 -0.872 . . . . 1.07 111.053 -175.786 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 609' ' ' ALA . . . . . . . . . . . . . . . -63.05 -34.67 78.08 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.291 0.567 . . . . 1.27 110.501 175.625 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 610' ' ' ALA . . . . . . . . . . . . . . . -65.55 -27.31 68.35 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.659 -0.7 . . . . 1.14 110.334 177.168 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 611' ' ' ILE . . . . . 0.44 ' O ' HG13 ' A' ' 615' ' ' ILE . 74.3 mt -71.97 -32.14 43.03 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.466 0 CA-C-N 115.629 -0.714 . . . . 1.03 109.951 178.047 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 612' ' ' ILE . . . . . 0.433 ' CG1' HD13 ' A' ' 542' ' ' LEU . 63.3 mt -61.11 -44.27 97.96 Favored 'Isoleucine or valine' 0 C--O 1.235 0.298 0 CA-C-O 121.108 0.48 . . . . 1.11 110.1 173.348 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 613' ' ' GLN . . . . . . . . . . . . . 25.4 mt-30 -63.39 -30.28 71.44 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.66 -0.7 . . . . 3.02 109.907 176.331 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 614' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -69.64 -44.52 70.42 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 114.739 -1.119 . . . . 1.95 110.137 -179.035 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 615' ' ' ILE . . . . . 0.454 ' CD1' ' HB2' ' A' ' 542' ' ' LEU . 88.0 mt -61.34 -48.55 88.38 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.246 0 CA-C-N 115.954 -0.566 . . . . 1.08 110.61 178.675 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 616' ' ' HIS . . . . . . . . . . . . . 14.7 m170 -63.54 -29.06 70.38 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.586 -0.734 . . . . 1.73 111.256 -177.835 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 617' ' ' SER . . . . . . . . . . . . . 11.2 t -69.48 -34.94 75.09 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.167 -0.469 . . . . 1.77 110.202 178.254 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 618' ' ' GLN . . . . . . . . . . . . . 85.8 mm-40 -83.81 -59.19 2.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.018 -0.537 . . . . 5.45 110.81 178.703 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 619' ' ' ARG . . . . . . . . . . . . . 53.4 mtm180 -123.75 106.44 10.51 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.37 -0.377 . . . . 8.54 110.145 -179.777 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 620' ' ' GLU . . . . . . . . . . . . . 42.9 tt0 -88.87 140.58 29.29 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 109.952 -0.388 . . . . 7.92 109.952 174.912 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 621' ' ' ARG . . . . . . . . . . . . . 23.5 mtm180 . . . . . 0 C--O 1.249 1.073 0 CA-C-O 118.368 -0.825 . . . . 11.52 110.114 179.778 . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' B' B ' 1' ' ' ADN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' B' B ' 2' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.953 0 C3'-C2'-C1' 99.523 -2.197 . 0.0 '__' . 2.99 . . . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' B' B ' 3' ' ' ' C' . . . . . 0.596 ' O2 ' ' HB3' ' A' ' 593' ' ' SER . . . . . . . . 0 O5'--C5' 1.426 -0.899 0 C4'-C3'-C2' 103.813 1.113 . 0.0 OUTLIER . 1.58 . . . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 4' ' ' ' U' . . . . . 0.423 " O2'" ' HE2' ' A' ' 602' ' ' LYS . . . . . . . . 0 O5'--C5' 1.426 -0.901 0 O4'-C1'-N19 110.264 2.064 . 0.0 OUTLIER gamma 1.21 . . . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 5' ' ' ' U' . . . . . 0.577 ' N3 ' HG22 ' A' ' 551' ' ' ILE . . . . . . . . 0 O5'--C5' 1.426 -0.869 0 C4'-C3'-C2' 104.075 1.375 . 0.109 4b . 1.33 . . . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 6' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.941 0 C3'-C2'-C1' 100.643 -0.952 . 0.338 2[ . 4.58 . . . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' A' A ' 510' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 2.0 0 N-CA-C 112.664 -0.174 . . . . 9.27 112.664 . . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' A' A ' 511' ' ' ALA . . . . . . . . . . . . . . . -86.67 -35.69 19.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.818 0.342 . . . . 6.96 111.095 179.943 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 512' ' ' MET . . . . . . . . . . . . . 23.7 ptt? -89.56 92.68 9.19 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.264 0.554 . . . . 6.68 110.468 179.799 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 513' ' ' ALA . . . . . . . . . . . . . . . 67.8 -175.74 0.2 Allowed 'General case' 0 C--O 1.236 0.345 0 CA-C-N 115.158 -0.928 . . . . 4.66 111.12 -178.26 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 514' ' ' GLN . . . . . 0.445 ' OE1' ' HA ' ' A' ' 594' ' ' THR . 15.4 mm100 72.13 -62.19 0.47 Allowed 'General case' 0 N--CA 1.467 0.377 0 C-N-CA 123.375 0.67 . . . . 2.88 111.421 -178.816 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 515' ' ' ARG . . . . . . . . . . . . . 33.6 mmt180 51.07 48.97 22.1 Favored 'General case' 0 N--CA 1.465 0.298 0 O-C-N 123.546 0.528 . . . . 4.64 111.717 174.514 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 516' ' ' LYS . . . . . . . . . . . . . 40.4 mmtm -91.17 34.21 0.94 Allowed 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.144 -0.48 . . . . 2.38 111.314 -175.583 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 517' ' ' GLY . . . . . . . . . . . . . . . -124.04 19.41 7.32 Favored Glycine 0 N--CA 1.45 -0.428 0 C-N-CA 120.854 -0.688 . . . . 2.04 111.56 175.394 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 518' ' ' ALA . . . . . . . . . . . . . . . -161.99 66.61 0.25 Allowed 'General case' 0 C--N 1.312 -1.062 0 N-CA-C 107.829 -1.174 . . . . 1.94 107.829 179.557 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 519' ' ' GLY . . . . . . . . . . . . . . . 102.1 133.81 8.2 Favored Glycine 0 N--CA 1.44 -1.034 0 N-CA-C 109.286 -1.526 . . . . 0.98 109.286 -164.036 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 520' ' ' ARG . . . . . . . . . . . . . 22.1 mtm-85 -135.55 133.2 38.12 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 117.813 0.806 . . . . 2.86 111.162 179.304 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 521' ' ' VAL . . . . . 0.469 HG11 HD23 ' A' ' 599' ' ' LEU . 90.5 t -117.19 120.29 64.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-N 115.565 -0.743 . . . . 1.14 110.409 172.302 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 522' ' ' VAL . . . . . 0.505 ' HB ' ' O ' ' A' ' 561' ' ' LEU . 21.9 t -121.44 121.78 65.53 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.811 0 N-CA-C 108.255 -1.017 . . . . 1.05 108.255 176.003 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 523' ' ' HIS . . . . . 0.418 ' HD2' ' CE1' ' A' ' 560' ' ' PHE . 59.3 t-80 -105.86 134.05 49.6 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.139 0.495 . . . . 0.57 110.664 -174.559 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 524' ' ' ILE . . . . . 0.447 HG12 HG12 ' A' ' 590' ' ' ILE . 24.9 mt -111.26 137.94 41.7 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.786 0 N-CA-C 108.42 -0.955 . . . . 1.06 108.42 177.748 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 525' ' ' CYS . . . . . 0.415 ' O ' ' HB2' ' A' ' 526' ' ' ASN . 0.0 OUTLIER -132.65 159.48 39.47 Favored 'General case' 0 C--N 1.319 -0.76 0 C-N-CA 120.539 -0.464 . . . . 1.75 111.639 -170.522 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 526' ' ' ASN . . . . . 0.415 ' HB2' ' O ' ' A' ' 525' ' ' CYS . 81.6 m-20 84.58 30.55 0.06 Allowed 'General case' 0 N--CA 1.47 0.554 0 O-C-N 124.768 1.293 . . . . 0.28 111.078 172.683 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 527' ' ' LEU . . . . . 0.403 ' HA ' ' HD3' ' A' ' 528' ' ' PRO . 84.5 mt -84.17 125.59 71.99 Favored Pre-proline 0 C--N 1.324 -0.502 0 CA-C-N 115.878 -0.601 . . . . 1.04 109.681 179.7 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 528' ' ' PRO . . . . . 0.403 ' HD3' ' HA ' ' A' ' 527' ' ' LEU . 3.1 Cg_exo -71.02 134.53 25.51 Favored 'Trans proline' 0 N--CA 1.458 -0.586 0 C-N-CA 121.558 1.505 . . . . 0.5 111.595 -178.136 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 529' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -66.63 138.35 57.38 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 109.449 -0.574 . . . . 1.6 109.449 176.832 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 530' ' ' GLY . . . . . . . . . . . . . . . 84.88 5.41 86.29 Favored Glycine 0 N--CA 1.445 -0.719 0 C-N-CA 119.995 -1.098 . . . . 0.52 110.721 -172.408 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 531' ' ' SER . . . . . . . . . . . . . 26.3 m -150.44 9.51 0.63 Allowed 'General case' 0 N--CA 1.452 -0.366 0 CA-C-O 121.13 0.491 . . . . 1.49 110.248 -175.635 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 532' ' ' CYS . . . . . . . . . . . . . 81.0 m -89.28 87.3 7.08 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 108.993 -0.743 . . . . 0.25 108.993 177.965 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 533' ' ' THR . . . . . 0.598 ' O ' HG23 ' A' ' 537' ' ' VAL . 82.8 p -104.32 149.04 25.7 Favored 'General case' 0 C--N 1.321 -0.66 0 C-N-CA 120.428 -0.509 . . . . 1.1 109.769 -179.809 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 534' ' ' GLU . . . . . 0.56 ' N ' HD12 ' A' ' 552' ' ' LEU . 38.5 mt-10 -67.86 -35.89 79.35 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.913 -0.585 . . . . 1.64 109.972 179.942 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 535' ' ' ASN . . . . . . . . . . . . . 58.7 t30 -59.92 -49.86 76.03 Favored 'General case' 0 C--O 1.217 -0.642 0 CA-C-N 114.915 -1.039 . . . . 1.86 110.937 -176.988 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 536' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -71.99 -40.73 68.35 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-O 121.152 0.501 . . . . 0.61 112.046 -172.64 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 537' ' ' VAL . . . . . 0.598 HG23 ' O ' ' A' ' 533' ' ' THR . 46.9 t -59.37 -48.09 88.31 Favored 'Isoleucine or valine' 0 C--O 1.244 0.807 0 CA-C-O 122.097 0.951 . . . . 1.03 109.651 178.757 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 538' ' ' ILE . . . . . 0.724 HD11 ' CG ' ' A' ' 550' ' ' TYR . 39.0 mt -67.93 -32.43 56.31 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.821 0 CA-C-N 115.157 -0.928 . . . . 1.06 111.203 174.986 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 539' ' ' ASN . . . . . 0.407 ' HA ' HD11 ' A' ' 615' ' ' ILE . 10.0 m120 -56.92 -28.48 62.08 Favored 'General case' 0 CA--C 1.514 -0.42 0 N-CA-C 110.13 -0.322 . . . . 0.25 110.13 176.815 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 540' ' ' LEU . . . . . 0.416 HD13 HD12 ' A' ' 588' ' ' LEU . 94.8 mt -76.11 -41.96 48.62 Favored 'General case' 0 N--CA 1.445 -0.691 0 C-N-CA 120.647 -0.421 . . . . 1.11 110.06 174.696 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 541' ' ' GLY . . . . . 0.463 ' HA3' HD22 ' A' ' 561' ' ' LEU . . . -66.51 -52.58 33.91 Favored Glycine 0 CA--C 1.525 0.665 0 N-CA-C 115.906 1.122 . . . . 0.19 115.906 -178.346 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 542' ' ' LEU . . . . . 0.55 ' HB2' ' CD1' ' A' ' 615' ' ' ILE . 45.2 mt -56.83 -43.64 99.45 Favored Pre-proline 0 C--N 1.32 -0.68 0 N-CA-C 114.945 1.461 . . . . 1.06 114.945 -168.329 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 543' ' ' PRO . . . . . 0.416 ' HD3' HD12 ' A' ' 615' ' ' ILE . 52.0 Cg_exo -59.38 -26.34 81.59 Favored 'Trans proline' 0 C--N 1.35 0.629 0 C-N-CA 121.993 1.796 . . . . 0.25 113.487 -177.891 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 544' ' ' PHE . . . . . 0.429 ' HB2' ' HE3' ' A' ' 572' ' ' MET . 94.7 m-85 -99.4 -13.98 19.34 Favored 'General case' 0 C--N 1.33 -0.25 0 O-C-N 122.145 -0.347 . . . . 0.38 111.386 178.24 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 545' ' ' GLY . . . . . 0.503 ' O ' ' HA ' ' A' ' 542' ' ' LEU . . . 176.24 155.84 14.01 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.41 -0.9 . . . . 0.44 112.799 -178.687 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 546' ' ' LYS . . . . . . . . . . . . . 86.9 tttt -65.73 127.34 31.56 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.142 0.496 . . . . 2.62 111.604 -179.681 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 547' ' ' VAL . . . . . 0.535 HG22 HG23 ' A' ' 538' ' ' ILE . 79.4 t -90.38 115.99 30.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 115.5 -0.773 . . . . 1.05 110.811 176.407 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 548' ' ' THR . . . . . . . . . . . . . 21.5 p -92.57 -35.08 13.76 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 112.191 0.441 . . . . 1.11 112.191 178.498 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 549' ' ' ASN . . . . . 0.455 ' OD1' HD11 ' A' ' 601' ' ' LEU . 90.4 m-20 -142.71 162.46 35.4 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.042 0.448 . . . . 1.49 110.991 179.332 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 550' ' ' TYR . . . . . 0.724 ' CG ' HD11 ' A' ' 538' ' ' ILE . 1.7 p90 -160.38 151.06 18.58 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.61 -0.723 . . . . 0.96 109.858 -179.976 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 551' ' ' ILE . . . . . 0.577 HG22 ' N3 ' ' B' ' 5' ' ' ' U' . 60.4 mt -144.2 127.23 11.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 N-CA-C 108.201 -1.036 . . . . 1.1 108.201 -178.234 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 552' ' ' LEU . . . . . 0.56 HD12 ' N ' ' A' ' 534' ' ' GLU . 27.9 mt -106.25 124.43 49.57 Favored 'General case' 0 C--N 1.31 -1.145 0 C-N-CA 119.932 -0.707 . . . . 1.17 110.312 179.279 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 553' ' ' MET . . . . . 0.485 ' HE2' " C5'" ' B' ' 3' ' ' ' C' . 30.1 mtp -104.63 80.37 1.66 Allowed 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 108.435 -0.95 . . . . 1.55 108.435 -179.88 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 554' ' ' LYS . . . . . . . . . . . . . 26.1 mmtp -53.92 -28.67 38.29 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 114.768 -1.106 . . . . 1.63 112.589 175.557 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 555' ' ' SER . . . . . . . . . . . . . 65.7 p -68.88 -44.85 72.41 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 111.755 0.279 . . . . 0.7 111.755 -174.099 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 556' ' ' THR . . . . . . . . . . . . . 44.4 p -104.78 8.67 34.99 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 112.809 0.67 . . . . 1.14 112.809 -174.166 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 557' ' ' ASN . . . . . . . . . . . . . 18.5 m120 59.94 40.61 18.77 Favored 'General case' 0 N--CA 1.469 0.518 0 CA-C-O 121.597 0.713 . . . . 2.03 110.25 -176.355 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 558' ' ' GLN . . . . . . . . . . . . . 77.1 mt-30 -135.45 167.82 20.37 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.091 -0.959 . . . . 1.24 109.412 -175.644 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 559' ' ' ALA . . . . . . . . . . . . . . . -159.14 165.66 33.25 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.115 0.483 . . . . 1.04 111.776 176.462 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 560' ' ' PHE . . . . . 0.509 ' HB2' ' HB ' ' A' ' 551' ' ' ILE . 91.7 m-85 -119.89 148.51 43.4 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.589 -0.732 . . . . 0.46 110.875 176.53 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 561' ' ' LEU . . . . . 0.505 ' O ' ' HB ' ' A' ' 522' ' ' VAL . 50.6 tp -137.8 119.58 15.2 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.348 -0.842 . . . . 1.06 110.0 179.809 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 562' ' ' GLU . . . . . 0.492 ' HB2' HD11 ' A' ' 599' ' ' LEU . 30.4 tt0 -99.13 128.08 45.2 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.343 0.592 . . . . 2.09 110.421 179.598 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 563' ' ' MET . . . . . 0.711 ' SD ' ' HA ' ' A' ' 569' ' ' ALA . 36.6 mtt -112.93 152.25 29.56 Favored 'General case' 0 C--N 1.316 -0.864 0 CA-C-N 115.216 -0.902 . . . . 1.06 109.234 -176.684 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 564' ' ' ALA . . . . . . . . . . . . . . . -73.76 -16.64 61.16 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.044 -0.525 . . . . 1.25 111.971 -170.423 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 565' ' ' TYR . . . . . 0.431 ' CB ' ' HG2' ' A' ' 567' ' ' GLU . 72.7 m-85 -143.41 148.05 35.56 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 109.883 -0.414 . . . . 1.39 109.883 -178.797 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 566' ' ' THR . . . . . . . . . . . . . 14.5 t -67.58 -27.38 66.88 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.175 -0.466 . . . . 1.24 110.197 179.147 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 567' ' ' GLU . . . . . 0.431 ' HG2' ' CB ' ' A' ' 565' ' ' TYR . 11.4 pt-20 -58.83 -32.7 69.63 Favored 'General case' 0 CA--C 1.526 0.052 0 CA-C-N 115.737 -0.665 . . . . 0.89 110.704 175.855 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 568' ' ' ALA . . . . . 0.676 ' O ' ' HG3' ' A' ' 572' ' ' MET . . . -74.01 -42.97 59.55 Favored 'General case' 0 N--CA 1.448 -0.528 0 CA-C-N 115.839 -0.619 . . . . 1.08 109.84 -177.866 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 569' ' ' ALA . . . . . 0.711 ' HA ' ' SD ' ' A' ' 563' ' ' MET . . . -62.74 -46.04 89.91 Favored 'General case' 0 N--CA 1.45 -0.459 0 CA-C-N 115.546 -0.752 . . . . 1.0 111.449 -176.135 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 570' ' ' GLN . . . . . 0.464 ' O ' ' HG2' ' A' ' 574' ' ' GLN . 13.5 pt20 -69.12 -36.67 77.75 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.387 -0.37 . . . . 1.72 110.644 -178.012 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 571' ' ' ALA . . . . . . . . . . . . . . . -64.01 -44.16 93.45 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.197 -0.456 . . . . 1.08 111.266 -178.665 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 572' ' ' MET . . . . . 0.676 ' HG3' ' O ' ' A' ' 568' ' ' ALA . 24.7 mtt -68.5 -40.92 80.69 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.356 -0.384 . . . . 1.05 110.291 -179.375 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 573' ' ' VAL . . . . . 0.606 ' O ' ' HG2' ' A' ' 577' ' ' GLN . 85.9 t -59.65 -48.3 87.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 N-CA-C 110.104 -0.332 . . . . 1.08 110.104 178.066 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 574' ' ' GLN . . . . . 0.464 ' HG2' ' O ' ' A' ' 570' ' ' GLN . 12.9 mm-40 -61.63 -37.32 83.55 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.846 0.355 . . . . 2.79 111.056 -179.257 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 575' ' ' TYR . . . . . . . . . . . . . 82.2 t80 -67.98 -51.7 44.28 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.005 -0.543 . . . . 1.09 110.167 -178.617 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 576' ' ' TYR . . . . . 0.523 ' CE1' ' HB1' ' A' ' 581' ' ' ALA . 58.6 m-85 -76.38 -13.88 60.11 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 112.603 0.594 . . . . 1.03 112.603 -176.636 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 577' ' ' GLN . . . . . 0.606 ' HG2' ' O ' ' A' ' 573' ' ' VAL . 17.4 mm-40 -64.33 -44.03 92.79 Favored 'General case' 0 C--N 1.332 -0.18 0 N-CA-C 109.268 -0.641 . . . . 2.14 109.268 171.024 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 578' ' ' GLU . . . . . . . . . . . . . 14.3 mm-40 -89.37 -38.69 13.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.453 -0.794 . . . . 2.14 111.614 -179.941 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 579' ' ' LYS . . . . . 0.517 ' O ' ' HA ' ' A' ' 576' ' ' TYR . 63.3 mttp -131.02 90.55 39.01 Favored Pre-proline 0 C--N 1.325 -0.498 0 N-CA-C 110.164 -0.31 . . . . 2.95 110.164 178.835 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 580' ' ' PRO . . . . . . . . . . . . . 38.9 Cg_endo -66.63 160.97 43.63 Favored 'Trans proline' 0 C--O 1.234 0.292 0 C-N-CA 122.735 2.29 . . . . 0.51 112.419 -178.634 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 581' ' ' ALA . . . . . 0.523 ' HB1' ' CE1' ' A' ' 576' ' ' TYR . . . -91.01 137.13 32.6 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.183 -0.462 . . . . 1.09 109.919 179.431 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 582' ' ' ILE . . . . . . . . . . . . . 34.9 mt -106.28 119.65 56.03 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 CA-C-O 120.909 0.385 . . . . 1.19 111.906 -173.714 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 583' ' ' ILE . . . . . . . . . . . . . 29.1 mm -124.69 112.37 31.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 115.717 -0.674 . . . . 1.21 109.547 172.112 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 584' ' ' ASN . . . . . . . . . . . . . 95.0 m-20 54.64 41.06 32.19 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 121.645 0.736 . . . . 1.34 110.545 -179.922 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 585' ' ' GLY . . . . . . . . . . . . . . . 81.85 2.02 90.42 Favored Glycine 0 N--CA 1.446 -0.66 0 CA-C-N 114.854 -1.066 . . . . 0.51 113.92 176.174 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 586' ' ' GLU . . . . . . . . . . . . . 51.3 mm-40 -99.74 126.27 45.77 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 117.481 0.641 . . . . 1.79 110.856 -179.665 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 587' ' ' LYS . . . . . . . . . . . . . 72.5 mmtt -75.26 110.24 9.44 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.321 -0.854 . . . . 2.25 110.223 175.544 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 588' ' ' LEU . . . . . 0.416 HD12 HD13 ' A' ' 540' ' ' LEU . 63.0 mt -81.5 137.03 35.63 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 121.028 0.442 . . . . 1.03 110.587 -179.013 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 589' ' ' LEU . . . . . . . . . . . . . 43.8 tp -112.7 112.08 23.34 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.709 -0.678 . . . . 1.13 110.709 -177.93 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 590' ' ' ILE . . . . . 0.512 HD11 ' CE2' ' A' ' 576' ' ' TYR . 15.8 mt -101.84 121.04 52.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 N-CA-C 110.094 -0.336 . . . . 1.08 110.094 176.769 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 591' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -147.57 165.16 31.19 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.82 0.343 . . . . 3.18 110.667 -177.818 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 592' ' ' MET . . . . . . . . . . . . . 60.8 mtt -82.29 139.01 34.42 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.135 -0.484 . . . . 1.13 109.789 -179.956 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 593' ' ' SER . . . . . 0.596 ' HB3' ' O2 ' ' B' ' 3' ' ' ' C' . 38.3 m -85.02 139.78 31.51 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.32 0.581 . . . . 1.65 111.912 -176.54 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 594' ' ' THR . . . . . 0.445 ' HA ' ' OE1' ' A' ' 514' ' ' GLN . 18.4 p -91.66 -15.47 28.46 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 114.658 -1.155 . . . . 1.14 112.603 -175.54 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 595' ' ' ARG . . . . . 0.403 ' HD3' " O2'" ' B' ' 3' ' ' ' C' . 68.9 mtp180 -103.57 -28.03 11.98 Favored 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 120.551 -0.46 . . . . 3.37 112.138 -172.117 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 596' ' ' TYR . . . . . . . . . . . . . 50.8 m-85 -118.25 150.23 39.8 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.164 0.507 . . . . 1.15 111.576 -178.951 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 597' ' ' LYS . . . . . 0.456 ' C ' HG23 ' A' ' 521' ' ' VAL . 7.6 mtmm -107.64 -26.18 10.98 Favored 'General case' 0 C--O 1.219 -0.502 0 CA-C-N 115.369 -0.832 . . . . 2.63 111.305 -178.314 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 598' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -142.65 150.77 40.66 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.87 0.367 . . . . 0.95 110.695 -179.926 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 599' ' ' LEU . . . . . 0.492 HD11 ' HB2' ' A' ' 562' ' ' GLU . 63.4 mt -95.33 124.19 39.24 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.698 -0.683 . . . . 1.18 111.628 179.816 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 600' ' ' GLN . . . . . . . . . . . . . 20.6 tt0 -103.06 124.19 48.06 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 114.906 -1.043 . . . . 1.65 110.651 -179.827 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 601' ' ' LEU . . . . . 0.455 HD11 ' OD1' ' A' ' 549' ' ' ASN . 86.7 mt -82.49 94.88 7.55 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.587 -0.279 . . . . 1.23 111.028 178.428 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 602' ' ' LYS . . . . . 0.423 ' HE2' " O2'" ' B' ' 4' ' ' ' U' . 50.0 mtmt -79.36 -18.91 51.48 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 109.124 -0.695 . . . . 2.22 109.124 169.818 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 603' ' ' LYS . . . . . . . . . . . . . 34.9 mmtp -119.66 130.05 25.05 Favored Pre-proline 0 C--N 1.325 -0.487 0 CA-C-N 115.02 -0.991 . . . . 2.26 108.608 174.254 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 604' ' ' PRO . . . . . . . . . . . . . 33.2 Cg_endo -64.71 169.89 10.8 Favored 'Trans proline' 0 C--O 1.235 0.357 0 C-N-CA 122.631 2.221 . . . . 1.26 112.649 -178.825 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 605' ' ' GLY . . . . . . . . . . . . . . . -138.75 160.64 25.71 Favored Glycine 0 N--CA 1.44 -1.066 0 N-CA-C 110.637 -0.985 . . . . 1.23 110.637 -178.039 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 606' ' ' LYS . . . . . . . . . . . . . 62.7 pttt -94.78 178.66 5.51 Favored 'General case' 0 C--N 1.315 -0.927 0 N-CA-C 109.82 -0.437 . . . . 3.96 109.82 -179.241 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 607' ' ' ASN . . . . . . . . . . . . . 42.1 t30 -58.24 120.66 9.08 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.025 0.441 . . . . 1.8 110.327 174.689 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 608' ' ' VAL . . . . . 0.505 HG11 ' HB ' ' A' ' 547' ' ' VAL . 57.7 t -85.0 -19.91 8.56 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.587 0 CA-C-N 115.846 -0.615 . . . . 1.07 110.551 -176.69 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 609' ' ' ALA . . . . . . . . . . . . . . . -61.69 -31.66 71.81 Favored 'General case' 0 C--O 1.24 0.556 0 CA-C-O 121.455 0.645 . . . . 1.27 110.999 175.523 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 610' ' ' ALA . . . . . . . . . . . . . . . -63.63 -30.01 71.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.685 -0.688 . . . . 1.14 109.816 176.603 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 611' ' ' ILE . . . . . 0.455 ' CD1' HD13 ' A' ' 538' ' ' ILE . 77.5 mt -70.67 -30.69 43.34 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.349 0 CA-C-N 115.325 -0.852 . . . . 1.03 109.851 178.8 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 612' ' ' ILE . . . . . 0.447 ' CG1' HD12 ' A' ' 542' ' ' LEU . 76.0 mt -59.76 -42.71 89.7 Favored 'Isoleucine or valine' 0 C--O 1.235 0.323 0 N-CA-C 109.715 -0.476 . . . . 1.11 109.715 173.558 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 613' ' ' GLN . . . . . 0.464 ' HA ' ' OE1' ' A' ' 613' ' ' GLN . 15.1 mm-40 -65.4 -31.01 71.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.703 -0.681 . . . . 3.02 110.824 176.433 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 614' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -67.71 -43.96 78.82 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.185 -0.461 . . . . 1.95 110.759 177.441 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 615' ' ' ILE . . . . . 0.55 ' CD1' ' HB2' ' A' ' 542' ' ' LEU . 87.1 mt -60.36 -48.92 86.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-O 121.082 0.467 . . . . 1.08 110.683 179.474 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 616' ' ' HIS . . . . . . . . . . . . . 10.6 m-70 -66.24 -26.74 67.5 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.827 -0.624 . . . . 1.73 111.324 179.903 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 617' ' ' SER . . . . . . . . . . . . . 36.7 t -74.2 -36.4 63.98 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.942 0.401 . . . . 1.77 110.447 176.468 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 618' ' ' GLN . . . . . . . . . . . . . 33.2 mm-40 -82.12 -8.02 59.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.297 -0.41 . . . . 5.45 111.066 179.333 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 619' ' ' ARG . . . . . . . . . . . . . 59.2 mtp180 -120.6 -173.63 2.63 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.015 -0.539 . . . . 8.54 110.478 -179.601 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 620' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -133.72 170.49 15.48 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.877 -0.601 . . . . 7.92 109.854 176.788 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 621' ' ' ARG . . . . . . . . . . . . . 73.0 ttt180 . . . . . 0 C--O 1.247 0.966 0 CA-C-O 118.846 -0.597 . . . . 11.52 109.641 177.294 . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' B' B ' 1' ' ' ADN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' B' B ' 2' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.878 0 C4'-C3'-C2' 104.263 1.563 . 0.0 '__' . 2.99 . . . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' B' B ' 3' ' ' ' C' . . . . . 0.414 " C5'" HE22 ' A' ' 558' ' ' GLN . . . . . . . . 0 O5'--C5' 1.425 -0.944 0 C3'-C2'-C1' 99.821 -1.865 . 0.0 OUTLIER gamma 1.58 . . . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 4' ' ' ' U' . . . . . 0.416 " H1'" ' C5 ' ' B' ' 5' ' ' ' U' . . . . . . . . 0 O5'--C5' 1.425 -0.913 0 C3'-C2'-C1' 99.804 -1.884 . 0.0 OUTLIER . 1.21 . . . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 5' ' ' ' U' . . . . . 0.604 ' C2 ' HG22 ' A' ' 551' ' ' ILE . . . . . . . . 0 O5'--C5' 1.425 -0.964 0 C3'-C2'-C1' 99.658 -2.047 . 0.538 4b . 1.33 . . . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 6' ' ' ' A' . . . . . 0.471 ' H2 ' " O5'" ' B' ' 5' ' ' ' U' . . . . . . . . 0 O5'--C5' 1.427 -0.831 0 C3'-C2'-C1' 100.773 -0.808 . 0.0 OUTLIER . 4.58 . . . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 510' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.723 0 N-CA-C 111.861 -0.496 . . . . 9.27 111.861 . . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' A' A ' 511' ' ' ALA . . . . . . . . . . . . . . . 60.6 79.05 0.26 Allowed 'General case' 0 C--O 1.232 0.159 0 CA-C-O 121.065 0.46 . . . . 6.96 111.168 -179.829 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 512' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -74.43 -27.71 60.73 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.148 -0.478 . . . . 6.68 110.167 -179.023 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 513' ' ' ALA . . . . . . . . . . . . . . . -117.54 149.71 40.18 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.959 -0.564 . . . . 4.66 109.929 177.381 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 514' ' ' GLN . . . . . . . . . . . . . 28.1 mm-40 69.16 112.3 0.05 OUTLIER 'General case' 0 C--N 1.331 -0.205 0 O-C-N 123.919 0.762 . . . . 2.88 111.913 -179.027 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 515' ' ' ARG . . . . . . . . . . . . . 20.7 mmm180 -77.68 98.17 5.37 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.506 -0.77 . . . . 4.64 109.597 176.66 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 516' ' ' LYS . . . . . . . . . . . . . 46.4 mmtm -134.23 47.74 2.39 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.159 0.504 . . . . 2.38 110.659 -179.103 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 517' ' ' GLY . . . . . . . . . . . . . . . -91.85 -106.81 1.55 Allowed Glycine 0 N--CA 1.45 -0.43 0 C-N-CA 120.978 -0.63 . . . . 2.04 111.74 176.632 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 518' ' ' ALA . . . . . . . . . . . . . . . -78.91 -24.17 44.28 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.723 0.773 . . . . 1.94 109.928 176.426 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 519' ' ' GLY . . . . . . . . . . . . . . . -107.09 116.94 5.15 Favored Glycine 0 N--CA 1.445 -0.724 0 CA-C-N 114.479 -1.237 . . . . 0.98 110.51 174.775 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 520' ' ' ARG . . . . . . . . . . . . . 37.8 mtm-85 -134.02 133.79 41.66 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 117.445 0.623 . . . . 2.86 111.068 -178.862 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 521' ' ' VAL . . . . . 0.51 HG13 HD23 ' A' ' 599' ' ' LEU . 89.3 t -117.58 123.31 71.57 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-N 115.632 -0.713 . . . . 1.14 110.876 170.983 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 522' ' ' VAL . . . . . 0.541 ' HB ' ' O ' ' A' ' 561' ' ' LEU . 22.4 t -120.07 122.49 68.57 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.747 0 N-CA-C 107.81 -1.182 . . . . 1.05 107.81 175.228 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 523' ' ' HIS . . . . . . . . . . . . . 43.2 t-80 -105.45 133.33 50.38 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.21 0.528 . . . . 0.57 111.119 -171.791 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 524' ' ' ILE . . . . . 0.416 HG12 HG12 ' A' ' 590' ' ' ILE . 29.9 mt -113.62 141.91 27.97 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.762 0 CA-C-N 115.376 -0.829 . . . . 1.06 108.812 177.735 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 525' ' ' CYS . . . . . 0.541 ' SG ' ' HB3' ' A' ' 589' ' ' LEU . 1.8 p -141.66 164.03 31.31 Favored 'General case' 0 C--N 1.316 -0.874 0 C-N-CA 120.618 -0.433 . . . . 1.75 111.652 -178.47 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 526' ' ' ASN . . . . . 0.455 ' HB2' ' O ' ' A' ' 525' ' ' CYS . 86.7 m-20 88.39 28.95 0.03 OUTLIER 'General case' 0 N--CA 1.471 0.594 0 O-C-N 125.045 1.466 . . . . 0.28 110.552 177.253 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 527' ' ' LEU . . . . . . . . . . . . . 78.7 mt -90.46 124.64 62.2 Favored Pre-proline 0 C--N 1.322 -0.6 0 N-CA-C 108.771 -0.826 . . . . 1.04 108.771 176.553 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 528' ' ' PRO . . . . . . . . . . . . . 5.6 Cg_exo -71.28 133.54 23.01 Favored 'Trans proline' 0 N--CA 1.455 -0.762 0 C-N-CA 121.298 1.332 . . . . 0.5 111.174 -177.267 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 529' ' ' GLU . . . . . . . . . . . . . 45.4 tt0 -66.31 129.74 40.85 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 109.814 -0.439 . . . . 1.6 109.814 177.39 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 530' ' ' GLY . . . . . . . . . . . . . . . 92.01 2.58 68.83 Favored Glycine 0 N--CA 1.447 -0.572 0 N-CA-C 110.397 -1.081 . . . . 0.52 110.397 -171.765 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 531' ' ' SER . . . . . . . . . . . . . 16.1 m -143.36 8.46 1.59 Allowed 'General case' 0 N--CA 1.45 -0.439 0 CA-C-N 115.16 -0.52 . . . . 1.49 109.914 -177.905 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 532' ' ' CYS . . . . . . . . . . . . . 60.8 m -89.79 91.18 8.52 Favored 'General case' 0 CA--C 1.516 -0.345 0 N-CA-C 108.963 -0.754 . . . . 0.25 108.963 179.786 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 533' ' ' THR . . . . . 0.536 ' O ' HG21 ' A' ' 537' ' ' VAL . 68.4 p -101.01 148.73 24.7 Favored 'General case' 0 C--N 1.318 -0.777 0 C-N-CA 120.369 -0.532 . . . . 1.1 110.063 -178.018 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 534' ' ' GLU . . . . . 0.441 ' HA ' HD13 ' A' ' 552' ' ' LEU . 44.9 mt-10 -68.65 -36.04 78.05 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.845 -0.616 . . . . 1.64 110.386 -178.008 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 535' ' ' ASN . . . . . 0.435 ' OD1' HG22 ' A' ' 611' ' ' ILE . 60.7 t30 -64.99 -49.24 71.04 Favored 'General case' 0 C--O 1.216 -0.706 0 CA-C-N 114.987 -1.006 . . . . 1.86 111.206 -174.877 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 536' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -71.23 -39.81 71.46 Favored 'General case' 0 N--CA 1.47 0.556 0 CA-C-O 121.198 0.523 . . . . 0.61 111.59 -170.414 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 537' ' ' VAL . . . . . 0.536 HG21 ' O ' ' A' ' 533' ' ' THR . 49.2 t -59.12 -48.09 87.94 Favored 'Isoleucine or valine' 0 C--O 1.241 0.634 0 CA-C-N 115.294 -0.866 . . . . 1.03 109.531 178.064 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 538' ' ' ILE . . . . . 0.677 HD11 ' CG ' ' A' ' 550' ' ' TYR . 23.7 mt -68.76 -32.86 56.62 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 CA-C-N 115.378 -0.828 . . . . 1.06 111.804 175.241 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 539' ' ' ASN . . . . . 0.407 ' HA ' HD11 ' A' ' 615' ' ' ILE . 13.1 m120 -57.63 -27.83 63.14 Favored 'General case' 0 N--CA 1.466 0.369 0 N-CA-C 110.314 -0.254 . . . . 0.25 110.314 177.794 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 540' ' ' LEU . . . . . 0.655 ' HB3' ' HH ' ' A' ' 576' ' ' TYR . 94.5 mt -76.65 -42.39 42.15 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 120.926 0.393 . . . . 1.11 110.012 173.679 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 541' ' ' GLY . . . . . 0.499 ' HA2' ' SD ' ' A' ' 572' ' ' MET . . . -64.94 -52.64 40.02 Favored Glycine 0 CA--C 1.522 0.502 0 N-CA-C 115.475 0.95 . . . . 0.19 115.475 -178.678 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 542' ' ' LEU . . . . . 0.473 ' HB2' ' CD1' ' A' ' 615' ' ' ILE . 35.7 mt -56.37 -44.65 99.82 Favored Pre-proline 0 CA--C 1.54 0.576 0 N-CA-C 114.796 1.406 . . . . 1.06 114.796 -169.392 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 543' ' ' PRO . . . . . . . . . . . . . 35.6 Cg_exo -61.38 -27.03 82.24 Favored 'Trans proline' 0 C--N 1.348 0.542 0 C-N-CA 122.041 1.827 . . . . 0.25 113.689 -177.641 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 544' ' ' PHE . . . . . 0.454 ' HB2' ' HE1' ' A' ' 572' ' ' MET . 97.0 m-85 -98.4 -8.94 26.0 Favored 'General case' 0 C--N 1.33 -0.254 0 O-C-N 122.21 -0.306 . . . . 0.38 111.193 178.769 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 545' ' ' GLY . . . . . 0.424 ' O ' ' HA ' ' A' ' 542' ' ' LEU . . . 168.79 152.12 7.55 Favored Glycine 0 N--CA 1.448 -0.527 0 C-N-CA 120.819 -0.705 . . . . 0.44 111.945 -178.064 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 546' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -66.35 130.87 44.67 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-O 121.156 0.503 . . . . 2.62 111.618 -177.778 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 547' ' ' VAL . . . . . 0.504 HG23 HG22 ' A' ' 538' ' ' ILE . 80.2 t -90.42 116.74 32.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 115.562 -0.745 . . . . 1.05 110.684 177.674 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 548' ' ' THR . . . . . . . . . . . . . 21.2 p -94.94 -35.29 12.06 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.098 -0.501 . . . . 1.11 111.923 177.392 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 549' ' ' ASN . . . . . 0.426 ' HB2' ' HB3' ' A' ' 562' ' ' GLU . 16.1 m120 -144.4 157.95 43.99 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.852 0.358 . . . . 1.49 110.965 -179.782 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 550' ' ' TYR . . . . . 0.677 ' CG ' HD11 ' A' ' 538' ' ' ILE . 3.3 p90 -162.04 152.7 17.46 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.864 -0.607 . . . . 0.96 109.707 -178.092 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 551' ' ' ILE . . . . . 0.604 HG22 ' C2 ' ' B' ' 5' ' ' ' U' . 64.8 mt -143.64 129.73 16.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 N-CA-C 108.621 -0.881 . . . . 1.1 108.621 -178.299 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 552' ' ' LEU . . . . . 0.441 HD13 ' HA ' ' A' ' 534' ' ' GLU . 22.9 mt -107.13 118.75 37.53 Favored 'General case' 0 C--N 1.315 -0.896 0 C-N-CA 120.475 -0.49 . . . . 1.17 110.317 179.904 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 553' ' ' MET . . . . . 0.543 ' HA ' " H4'" ' B' ' 5' ' ' ' U' . 63.8 mtm -108.87 82.29 1.58 Allowed 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 122.029 0.919 . . . . 1.55 109.193 -179.01 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 554' ' ' LYS . . . . . . . . . . . . . 12.0 mmtp -52.96 -27.84 20.86 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 113.828 -1.533 . . . . 1.63 112.622 176.375 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 555' ' ' SER . . . . . . . . . . . . . 63.9 p -69.21 -46.0 68.48 Favored 'General case' 0 N--CA 1.448 -0.554 0 CA-C-O 120.84 0.352 . . . . 0.7 111.259 -173.888 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 556' ' ' THR . . . . . . . . . . . . . 44.8 p -99.68 8.32 44.44 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 112.425 0.528 . . . . 1.14 112.425 -175.647 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 557' ' ' ASN . . . . . . . . . . . . . 4.7 m-20 59.8 39.91 20.12 Favored 'General case' 0 N--CA 1.468 0.44 0 CA-C-O 121.863 0.839 . . . . 2.03 110.11 -178.085 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 558' ' ' GLN . . . . . 0.414 HE22 " C5'" ' B' ' 3' ' ' ' C' . 27.1 mt-30 -142.02 168.05 20.67 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.024 -0.989 . . . . 1.24 110.363 -174.274 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 559' ' ' ALA . . . . . . . . . . . . . . . -157.65 165.99 34.02 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.151 0.5 . . . . 1.04 111.412 -179.376 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 560' ' ' PHE . . . . . 0.48 ' HB2' ' HB ' ' A' ' 551' ' ' ILE . 79.5 m-85 -119.56 149.47 41.87 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.825 -0.625 . . . . 0.46 110.663 177.955 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 561' ' ' LEU . . . . . 0.541 ' O ' ' HB ' ' A' ' 522' ' ' VAL . 54.1 tp -141.08 119.1 11.9 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.782 -0.645 . . . . 1.06 110.261 -179.759 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 562' ' ' GLU . . . . . 0.492 ' HB2' HD11 ' A' ' 599' ' ' LEU . 32.0 tt0 -100.38 123.33 44.46 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.474 0.654 . . . . 2.09 110.158 176.667 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 563' ' ' MET . . . . . 0.796 ' SD ' ' HA ' ' A' ' 569' ' ' ALA . 22.5 mtt -107.21 148.57 28.75 Favored 'General case' 0 C--N 1.315 -0.921 0 CA-C-N 114.84 -1.073 . . . . 1.06 108.775 -178.659 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 564' ' ' ALA . . . . . . . . . . . . . . . -59.99 -26.13 65.8 Favored 'General case' 0 N--CA 1.463 0.195 0 N-CA-C 112.966 0.728 . . . . 1.25 112.966 -168.307 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 565' ' ' TYR . . . . . . . . . . . . . 84.8 m-85 -143.19 160.92 39.55 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 110.401 -0.222 . . . . 1.39 110.401 179.19 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 566' ' ' THR . . . . . . . . . . . . . 7.4 t -68.11 -27.07 66.15 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.43 -0.35 . . . . 1.24 110.251 -179.465 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 567' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -59.38 -33.07 70.74 Favored 'General case' 0 C--N 1.334 -0.106 0 CA-C-N 115.846 -0.616 . . . . 0.89 110.825 178.07 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 568' ' ' ALA . . . . . 0.66 ' O ' ' HG3' ' A' ' 572' ' ' MET . . . -73.76 -41.7 62.1 Favored 'General case' 0 N--CA 1.449 -0.478 0 CA-C-N 115.893 -0.594 . . . . 1.08 109.788 179.963 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 569' ' ' ALA . . . . . 0.796 ' HA ' ' SD ' ' A' ' 563' ' ' MET . . . -63.53 -45.78 89.01 Favored 'General case' 0 CA--C 1.518 -0.286 0 CA-C-N 115.619 -0.719 . . . . 1.0 111.493 -176.299 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 570' ' ' GLN . . . . . . . . . . . . . 18.6 pt20 -68.34 -36.85 79.87 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.141 -0.481 . . . . 1.72 110.695 -178.276 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 571' ' ' ALA . . . . . . . . . . . . . . . -64.05 -43.2 96.26 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.24 -0.436 . . . . 1.08 111.15 -178.949 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 572' ' ' MET . . . . . 0.66 ' HG3' ' O ' ' A' ' 568' ' ' ALA . 23.5 mtt -70.39 -43.32 70.32 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.479 -0.328 . . . . 1.05 111.097 -179.493 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 573' ' ' VAL . . . . . 0.546 HG22 ' O ' ' A' ' 569' ' ' ALA . 77.8 t -60.05 -47.76 90.59 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.169 0 CA-C-O 120.846 0.355 . . . . 1.08 110.53 -179.341 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 574' ' ' GLN . . . . . . . . . . . . . 78.3 mm-40 -64.59 -35.55 81.37 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.267 -0.424 . . . . 2.79 110.715 179.31 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 575' ' ' TYR . . . . . . . . . . . . . 70.8 t80 -67.82 -52.02 41.83 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.192 -0.458 . . . . 1.09 110.794 -179.011 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 576' ' ' TYR . . . . . 0.655 ' HH ' ' HB3' ' A' ' 540' ' ' LEU . 57.7 m-85 -76.83 -14.22 59.92 Favored 'General case' 0 N--CA 1.466 0.342 0 N-CA-C 113.41 0.893 . . . . 1.03 113.41 -175.833 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 577' ' ' GLN . . . . . 0.45 ' HG3' ' O ' ' A' ' 573' ' ' VAL . 25.3 mt-30 -72.73 -38.12 67.54 Favored 'General case' 0 C--N 1.319 -0.726 0 C-N-CA 119.793 -0.763 . . . . 2.14 109.744 172.341 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 578' ' ' GLU . . . . . . . . . . . . . 11.3 mm-40 -86.71 -38.18 17.22 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.944 -0.571 . . . . 2.14 110.943 177.424 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 579' ' ' LYS . . . . . 0.516 ' O ' ' HA ' ' A' ' 576' ' ' TYR . 96.1 mttt -132.83 89.73 34.07 Favored Pre-proline 0 C--N 1.327 -0.377 0 N-CA-C 109.99 -0.374 . . . . 2.95 109.99 177.693 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 580' ' ' PRO . . . . . . . . . . . . . 37.6 Cg_endo -66.0 159.28 49.99 Favored 'Trans proline' 0 C--O 1.234 0.315 0 C-N-CA 122.507 2.138 . . . . 0.51 112.681 -176.601 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 581' ' ' ALA . . . . . 0.597 ' HB2' ' CE1' ' A' ' 576' ' ' TYR . . . -91.82 136.04 33.45 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.017 -0.538 . . . . 1.09 110.124 179.398 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 582' ' ' ILE . . . . . . . . . . . . . 54.2 mt -99.36 120.75 49.14 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.681 0 CA-C-O 120.835 0.35 . . . . 1.19 111.841 -175.258 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 583' ' ' ILE . . . . . 0.42 HG13 HD13 ' A' ' 588' ' ' LEU . 28.6 mm -125.15 111.26 27.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-N 116.02 -0.536 . . . . 1.21 109.931 171.429 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 584' ' ' ASN . . . . . . . . . . . . . 3.5 m-20 56.83 36.05 27.16 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.448 0.642 . . . . 1.34 110.889 176.076 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 585' ' ' GLY . . . . . . . . . . . . . . . 86.09 0.03 87.29 Favored Glycine 0 N--CA 1.448 -0.529 0 CA-C-N 115.231 -0.895 . . . . 0.51 113.589 179.989 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 586' ' ' GLU . . . . . . . . . . . . . 51.0 mm-40 -100.94 126.16 47.57 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 117.256 0.528 . . . . 1.79 110.984 179.926 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 587' ' ' LYS . . . . . . . . . . . . . 46.9 mmtm -77.32 111.21 12.74 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.578 -0.737 . . . . 2.25 110.719 175.115 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 588' ' ' LEU . . . . . 0.42 HD13 HG13 ' A' ' 583' ' ' ILE . 31.1 mt -75.71 141.54 42.65 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.154 0.502 . . . . 1.03 111.169 -178.261 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 589' ' ' LEU . . . . . 0.541 ' HB3' ' SG ' ' A' ' 525' ' ' CYS . 60.4 tp -112.4 111.55 22.48 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.413 -0.812 . . . . 1.13 110.009 176.049 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 590' ' ' ILE . . . . . 0.477 HD13 ' CD2' ' A' ' 576' ' ' TYR . 17.1 mt -103.28 118.98 51.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 N-CA-C 109.66 -0.496 . . . . 1.08 109.66 175.659 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 591' ' ' ARG . . . . . . . . . . . . . 50.9 mtp180 -144.23 165.99 26.31 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.424 -0.353 . . . . 3.18 110.543 -177.345 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 592' ' ' MET . . . . . . . . . . . . . 56.2 mtt -81.06 140.89 34.84 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.36 -0.382 . . . . 1.13 110.25 -179.28 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 593' ' ' SER . . . . . . . . . . . . . 40.5 t -84.58 132.77 34.47 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.517 0.675 . . . . 1.65 111.41 -176.018 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 594' ' ' THR . . . . . . . . . . . . . 19.5 p -90.88 -12.76 35.21 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-N 114.279 -1.328 . . . . 1.14 111.252 178.293 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 595' ' ' ARG . . . . . . . . . . . . . 60.2 mtp180 -101.22 -29.58 12.02 Favored 'General case' 0 C--N 1.332 -0.169 0 N-CA-C 112.839 0.681 . . . . 3.37 112.839 -170.662 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 596' ' ' TYR . . . . . 0.425 ' C ' ' HD2' ' A' ' 597' ' ' LYS . 70.0 m-85 -123.79 151.81 42.92 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.218 0.532 . . . . 1.15 112.248 -176.204 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 597' ' ' LYS . . . . . 0.567 ' N ' ' HD2' ' A' ' 597' ' ' LYS . 0.1 OUTLIER -109.26 -22.03 12.27 Favored 'General case' 0 C--O 1.223 -0.291 0 CA-C-N 115.137 -0.938 . . . . 2.63 111.679 -177.698 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 598' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -147.13 150.51 35.12 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.013 0.435 . . . . 0.95 111.195 179.749 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 599' ' ' LEU . . . . . 0.51 HD23 HG13 ' A' ' 521' ' ' VAL . 70.6 mt -104.23 127.41 51.85 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.52 -0.764 . . . . 1.18 111.436 177.674 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 600' ' ' GLN . . . . . 0.429 ' NE2' ' HD3' ' A' ' 602' ' ' LYS . 18.3 tt0 -113.76 133.53 55.32 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.119 -0.946 . . . . 1.65 110.143 179.123 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 601' ' ' LEU . . . . . 0.401 ' HG ' HD21 ' A' ' 549' ' ' ASN . 53.1 mt -88.46 96.23 10.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.095 0.474 . . . . 1.23 111.464 -178.951 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 602' ' ' LYS . . . . . 0.429 ' HD3' ' NE2' ' A' ' 600' ' ' GLN . 14.2 mmmm -80.93 -10.95 59.66 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.999 -0.546 . . . . 2.22 110.376 174.717 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 603' ' ' LYS . . . . . . . . . . . . . 30.5 mmtp -127.57 148.8 68.18 Favored Pre-proline 0 C--N 1.326 -0.455 0 CA-C-N 115.613 -0.721 . . . . 2.26 109.71 -179.203 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 604' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_endo -76.67 153.32 33.93 Favored 'Trans proline' 0 C--N 1.343 0.289 0 C-N-CA 122.804 2.336 . . . . 1.26 112.586 179.297 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 605' ' ' GLY . . . . . . . . . . . . . . . -135.58 -175.83 14.04 Favored Glycine 0 N--CA 1.444 -0.83 0 C-N-CA 121.37 -0.443 . . . . 1.23 112.233 -179.024 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 606' ' ' LYS . . . . . . . . . . . . . 39.9 mmtm -95.72 160.84 14.29 Favored 'General case' 0 C--N 1.316 -0.863 0 N-CA-C 109.397 -0.594 . . . . 3.96 109.397 179.6 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 607' ' ' ASN . . . . . . . . . . . . . 27.6 t30 -62.23 121.8 14.03 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.94 0.4 . . . . 1.8 110.707 174.485 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 608' ' ' VAL . . . . . 0.497 HG12 ' HB ' ' A' ' 547' ' ' VAL . 60.8 t -72.91 -22.91 20.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-N 115.815 -0.63 . . . . 1.07 111.079 -175.777 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 609' ' ' ALA . . . . . . . . . . . . . . . -65.9 -36.09 82.43 Favored 'General case' 0 C--O 1.239 0.545 0 CA-C-O 121.39 0.614 . . . . 1.27 110.466 176.031 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 610' ' ' ALA . . . . . . . . . . . . . . . -64.21 -29.68 70.77 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.7 -0.682 . . . . 1.14 109.926 176.258 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 611' ' ' ILE . . . . . 0.524 ' CD1' HD13 ' A' ' 538' ' ' ILE . 64.7 mt -69.22 -32.9 55.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-N 115.481 -0.781 . . . . 1.03 109.874 179.663 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 612' ' ' ILE . . . . . 0.407 HG12 HD11 ' A' ' 542' ' ' LEU . 61.9 mt -60.23 -42.19 89.5 Favored 'Isoleucine or valine' 0 C--O 1.232 0.179 0 CA-C-O 121.234 0.54 . . . . 1.11 109.6 173.528 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 613' ' ' GLN . . . . . . . . . . . . . 16.4 mt-30 -62.63 -38.65 91.05 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.577 -0.738 . . . . 3.02 109.857 177.629 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 614' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -65.37 -42.57 92.58 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 114.829 -1.078 . . . . 1.95 110.851 179.591 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 615' ' ' ILE . . . . . 0.484 HG13 ' O ' ' A' ' 611' ' ' ILE . 82.7 mt -60.46 -41.6 88.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.462 -0.336 . . . . 1.08 110.829 178.492 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 616' ' ' HIS . . . . . . . . . . . . . 60.7 m-70 -65.33 -28.38 69.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.453 -0.339 . . . . 1.73 110.96 179.211 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 617' ' ' SER . . . . . . . . . . . . . 20.0 m -75.76 -37.51 59.2 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.084 0.468 . . . . 1.77 110.477 174.929 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 618' ' ' GLN . . . . . . . . . . . . . 37.2 mt-30 -76.36 -61.09 2.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.711 -0.677 . . . . 5.45 111.776 -177.044 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 619' ' ' ARG . . . . . . . . . . . . . 79.5 mtm180 67.6 116.38 0.03 OUTLIER 'General case' 0 C--O 1.235 0.33 0 C-N-CA 123.103 0.561 . . . . 8.54 111.216 -178.109 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 620' ' ' GLU . . . . . 0.404 ' HG2' ' N ' ' A' ' 621' ' ' ARG . 35.0 tt0 -60.36 157.45 13.76 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.891 -0.595 . . . . 7.92 110.947 179.967 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 621' ' ' ARG . . . . . 0.404 ' N ' ' HG2' ' A' ' 620' ' ' GLU . 99.3 mtt180 . . . . . 0 C--O 1.248 0.989 0 CA-C-O 118.512 -0.756 . . . . 11.52 110.858 178.914 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 1' ' ' ADN . . . . . 0.869 " H4'" " O5'" ' B' ' 2' ' ' ' U' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 2' ' ' ' U' . . . . . 0.869 " O5'" " H4'" ' B' ' 1' ' ' ADN . . . . . . . . 0 O5'--C5' 1.425 -0.929 0 C4'-C3'-O3' 113.932 1.282 OUTLIER-EPSILON 0.0 '__' . 2.99 . . . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 3' ' ' ' C' . . . . . 0.719 " H2'" ' HD2' ' A' ' 595' ' ' ARG . . . . . . . . 0 O5'--C5' 1.426 -0.899 0 P-O3'-C3' 122.861 2.634 . 0.0 OUTLIER epsilon-1 1.58 . . . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 4' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.933 0 C3'-C2'-C1' 100.103 -1.552 . 0.0 OUTLIER . 1.21 . . . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 5' ' ' ' U' . . . . . 0.669 " H4'" ' HA ' ' A' ' 553' ' ' MET . . . . . . . . 0 O5'--C5' 1.425 -0.943 0 O4'-C1'-N19 109.682 1.482 . 0.0 OUTLIER gamma 1.33 . . . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 6' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.908 0 C3'-C2'-C1' 100.65 -0.945 . 0.0 OUTLIER . 4.58 . . . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 510' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.89 0 N-CA-C 112.166 -0.374 . . . . 9.27 112.166 . . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' A' A ' 511' ' ' ALA . . . . . . . . . . . . . . . 54.19 41.1 32.16 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-O 121.049 0.452 . . . . 6.96 111.325 179.562 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 512' ' ' MET . . . . . . . . . . . . . 49.2 tpp -69.0 -57.17 5.81 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.951 -0.568 . . . . 6.68 111.04 -178.148 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 513' ' ' ALA . . . . . 0.646 ' O ' ' HG2' ' A' ' 516' ' ' LYS . . . -126.38 61.34 1.3 Allowed 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.188 -0.46 . . . . 4.66 110.69 -178.259 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 514' ' ' GLN . . . . . . . . . . . . . 23.8 mt-30 63.19 -85.85 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.587 -0.733 . . . . 2.88 110.912 -177.418 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 515' ' ' ARG . . . . . . . . . . . . . 39.4 mmt180 -144.65 65.8 1.27 Allowed 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 110.268 -0.271 . . . . 4.64 110.268 178.899 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 516' ' ' LYS . . . . . 0.646 ' HG2' ' O ' ' A' ' 513' ' ' ALA . 67.3 mmtt -119.19 51.85 1.11 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.033 0.444 . . . . 2.38 110.183 178.564 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 517' ' ' GLY . . . . . . . . . . . . . . . -106.69 -95.35 2.4 Favored Glycine 0 N--CA 1.446 -0.642 0 C-N-CA 120.777 -0.725 . . . . 2.04 111.451 177.768 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 518' ' ' ALA . . . . . . . . . . . . . . . -84.47 74.64 10.35 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 109.28 -0.637 . . . . 1.94 109.28 174.899 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 519' ' ' GLY . . . . . . . . . . . . . . . 123.32 107.26 1.83 Allowed Glycine 0 N--CA 1.445 -0.762 0 N-CA-C 110.865 -0.894 . . . . 0.98 110.865 -172.763 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 520' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -126.3 132.65 51.6 Favored 'General case' 0 C--N 1.323 -0.55 0 C-N-CA 120.101 -0.64 . . . . 2.86 110.233 -179.962 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 521' ' ' VAL . . . . . 0.65 ' HB ' ' OG ' ' A' ' 593' ' ' SER . 57.4 t -117.53 124.32 72.9 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.01 0 CA-C-N 115.736 -0.666 . . . . 1.14 109.939 168.77 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 522' ' ' VAL . . . . . 0.433 HG12 ' CE ' ' A' ' 563' ' ' MET . 25.4 t -119.79 122.92 69.9 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.04 0 N-CA-C 106.922 -1.51 . . . . 1.05 106.922 174.302 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 523' ' ' HIS . . . . . . . . . . . . . 59.0 t-80 -103.85 133.4 48.89 Favored 'General case' 0 C--N 1.318 -0.787 0 O-C-N 121.722 -0.611 . . . . 0.57 110.417 -169.687 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 524' ' ' ILE . . . . . 0.44 HG12 HG12 ' A' ' 590' ' ' ILE . 29.5 mt -111.07 136.54 46.81 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.834 0 CA-C-N 115.297 -0.865 . . . . 1.06 109.101 -179.328 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 525' ' ' CYS . . . . . 0.45 ' O ' ' HB2' ' A' ' 526' ' ' ASN . 42.4 t -133.71 160.28 38.02 Favored 'General case' 0 C--N 1.315 -0.913 0 C-N-CA 121.13 -0.228 . . . . 1.75 110.797 -175.06 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 526' ' ' ASN . . . . . 0.45 ' HB2' ' O ' ' A' ' 525' ' ' CYS . 77.2 m-20 86.9 28.83 0.04 OUTLIER 'General case' 0 N--CA 1.469 0.49 0 O-C-N 124.674 1.234 . . . . 0.28 110.674 173.506 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 527' ' ' LEU . . . . . 0.451 ' HB3' ' SG ' ' A' ' 532' ' ' CYS . 82.1 mt -84.98 124.85 71.91 Favored Pre-proline 0 C--N 1.325 -0.489 0 N-CA-C 109.296 -0.631 . . . . 1.04 109.296 178.118 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 528' ' ' PRO . . . . . 0.404 ' HD3' ' HA ' ' A' ' 527' ' ' LEU . 12.2 Cg_exo -68.8 134.57 30.43 Favored 'Trans proline' 0 N--CA 1.461 -0.407 0 C-N-CA 121.861 1.707 . . . . 0.5 111.786 -178.692 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 529' ' ' GLU . . . . . . . . . . . . . 28.1 tt0 -65.79 136.4 56.15 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 109.454 -0.573 . . . . 1.6 109.454 178.602 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 530' ' ' GLY . . . . . . . . . . . . . . . 86.83 4.39 82.43 Favored Glycine 0 N--CA 1.446 -0.635 0 C-N-CA 120.006 -1.093 . . . . 0.52 111.501 -175.441 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 531' ' ' SER . . . . . . . . . . . . . 63.1 m -150.08 14.29 0.8 Allowed 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.262 0.553 . . . . 1.49 110.265 -176.913 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 532' ' ' CYS . . . . . 0.5 ' HB2' ' HD2' ' A' ' 554' ' ' LYS . 76.3 m -89.7 84.22 6.29 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 108.964 -0.754 . . . . 0.25 108.964 177.631 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 533' ' ' THR . . . . . 0.622 ' O ' HG22 ' A' ' 537' ' ' VAL . 74.5 p -99.39 148.31 24.34 Favored 'General case' 0 N--CA 1.444 -0.732 0 C-N-CA 119.869 -0.732 . . . . 1.1 109.266 -178.618 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 534' ' ' GLU . . . . . 0.517 ' HA ' HD11 ' A' ' 552' ' ' LEU . 36.9 mt-10 -67.67 -34.76 77.57 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-O 121.642 0.734 . . . . 1.64 109.42 -179.553 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 535' ' ' ASN . . . . . . . . . . . . . 10.2 t30 -61.87 -48.54 80.04 Favored 'General case' 0 N--CA 1.443 -0.791 0 CA-C-N 114.205 -1.361 . . . . 1.86 110.981 -176.678 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 536' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -71.05 -40.88 71.4 Favored 'General case' 0 N--CA 1.473 0.676 0 CA-C-O 121.146 0.498 . . . . 0.61 111.29 -176.091 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 537' ' ' VAL . . . . . 0.622 HG22 ' O ' ' A' ' 533' ' ' THR . 48.2 t -59.52 -48.14 88.36 Favored 'Isoleucine or valine' 0 C--O 1.242 0.66 0 CA-C-O 122.118 0.961 . . . . 1.03 109.701 179.158 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 538' ' ' ILE . . . . . 0.688 HD11 ' CG ' ' A' ' 550' ' ' TYR . 40.5 mt -68.68 -32.59 55.63 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.719 0 CA-C-N 115.246 -0.888 . . . . 1.06 111.671 175.197 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 539' ' ' ASN . . . . . . . . . . . . . 11.3 m120 -57.49 -26.79 61.81 Favored 'General case' 0 N--CA 1.469 0.498 0 N-CA-C 110.077 -0.342 . . . . 0.25 110.077 176.113 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 540' ' ' LEU . . . . . 0.986 ' HB3' ' HH ' ' A' ' 576' ' ' TYR . 87.9 mt -75.97 -43.07 46.33 Favored 'General case' 0 N--CA 1.448 -0.549 0 N-CA-C 109.82 -0.437 . . . . 1.11 109.82 174.269 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 541' ' ' GLY . . . . . 0.468 ' HA2' ' SD ' ' A' ' 572' ' ' MET . . . -65.69 -51.48 46.74 Favored Glycine 0 CA--C 1.526 0.725 0 N-CA-C 115.322 0.889 . . . . 0.19 115.322 -179.119 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 542' ' ' LEU . . . . . 0.436 ' HA ' ' O ' ' A' ' 545' ' ' GLY . 56.3 mt -57.12 -46.5 99.85 Favored Pre-proline 0 C--N 1.322 -0.616 0 N-CA-C 114.906 1.447 . . . . 1.06 114.906 -168.286 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 543' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -58.92 -26.67 82.02 Favored 'Trans proline' 0 C--N 1.349 0.562 0 C-N-CA 122.042 1.828 . . . . 0.25 113.514 -176.792 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 544' ' ' PHE . . . . . 0.511 ' HB2' ' HE2' ' A' ' 572' ' ' MET . 76.7 m-85 -98.01 -16.35 19.68 Favored 'General case' 0 C--N 1.33 -0.27 0 C-N-CA 120.69 -0.404 . . . . 0.38 110.826 178.939 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 545' ' ' GLY . . . . . 0.436 ' O ' ' HA ' ' A' ' 542' ' ' LEU . . . 173.59 161.26 23.47 Favored Glycine 0 C--O 1.226 -0.344 0 C-N-CA 120.763 -0.732 . . . . 0.44 112.281 178.62 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 546' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -67.78 133.59 49.51 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.112 0.482 . . . . 2.62 111.325 -177.181 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 547' ' ' VAL . . . . . 0.529 ' HB ' HG11 ' A' ' 608' ' ' VAL . 73.0 t -87.95 116.09 29.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 CA-C-N 115.41 -0.814 . . . . 1.05 110.347 175.379 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 548' ' ' THR . . . . . . . . . . . . . 22.8 p -91.49 -35.5 14.28 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.327 -0.397 . . . . 1.11 111.632 179.23 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 549' ' ' ASN . . . . . . . . . . . . . 9.5 m120 -143.97 152.9 41.68 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.916 0.389 . . . . 1.49 111.16 178.419 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 550' ' ' TYR . . . . . 0.688 ' CG ' HD11 ' A' ' 538' ' ' ILE . 1.6 p90 -151.41 149.94 29.87 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.638 -0.71 . . . . 0.96 109.843 176.901 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 551' ' ' ILE . . . . . 0.465 ' HB ' ' HB2' ' A' ' 560' ' ' PHE . 52.6 mt -146.37 124.0 4.09 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.51 0 N-CA-C 107.977 -1.12 . . . . 1.1 107.977 -178.98 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 552' ' ' LEU . . . . . 0.517 HD11 ' HA ' ' A' ' 534' ' ' GLU . 34.9 mt -108.19 126.78 53.19 Favored 'General case' 0 C--N 1.31 -1.141 0 C-N-CA 119.472 -0.891 . . . . 1.17 110.479 -179.76 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 553' ' ' MET . . . . . 0.669 ' HA ' " H4'" ' B' ' 5' ' ' ' U' . 71.0 mtm -108.94 82.03 1.54 Allowed 'General case' 0 C--N 1.32 -0.708 0 N-CA-C 108.211 -1.033 . . . . 1.55 108.211 176.924 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 554' ' ' LYS . . . . . 0.5 ' HD2' ' HB2' ' A' ' 532' ' ' CYS . 15.2 mmtm -53.32 -29.63 34.77 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 114.623 -1.171 . . . . 1.63 112.682 177.802 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 555' ' ' SER . . . . . . . . . . . . . 62.6 p -69.99 -42.19 73.41 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 120.678 0.275 . . . . 0.7 111.619 -175.029 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 556' ' ' THR . . . . . . . . . . . . . 43.4 p -98.38 4.8 48.54 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 112.199 0.444 . . . . 1.14 112.199 -175.517 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 557' ' ' ASN . . . . . . . . . . . . . 20.3 m120 59.55 39.28 21.75 Favored 'General case' 0 C--O 1.238 0.462 0 CA-C-O 121.314 0.578 . . . . 2.03 110.581 -177.718 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 558' ' ' GLN . . . . . . . . . . . . . 80.3 mt-30 -140.08 166.29 25.06 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.573 -0.74 . . . . 1.24 110.247 -176.147 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 559' ' ' ALA . . . . . . . . . . . . . . . -157.31 165.41 35.91 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 121.421 0.629 . . . . 1.04 112.303 -179.102 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 560' ' ' PHE . . . . . 0.465 ' HB2' ' HB ' ' A' ' 551' ' ' ILE . 95.4 m-85 -120.28 141.29 50.12 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.021 -0.99 . . . . 0.46 110.052 178.527 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 561' ' ' LEU . . . . . 0.41 ' O ' ' HB ' ' A' ' 522' ' ' VAL . 64.4 tp -138.34 119.65 14.73 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.911 -0.586 . . . . 1.06 110.033 -179.706 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 562' ' ' GLU . . . . . . . . . . . . . 43.6 tt0 -100.46 130.86 46.6 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 121.603 0.716 . . . . 2.09 110.596 173.986 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 563' ' ' MET . . . . . 0.754 ' SD ' ' HA ' ' A' ' 569' ' ' ALA . 30.7 mtt -110.94 144.94 39.22 Favored 'General case' 0 C--N 1.314 -0.961 0 CA-C-N 114.419 -1.264 . . . . 1.06 108.452 -179.584 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 564' ' ' ALA . . . . . . . . . . . . . . . -58.8 -28.66 66.2 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 112.97 0.73 . . . . 1.25 112.97 -166.492 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 565' ' ' TYR . . . . . . . . . . . . . 91.9 m-85 -138.84 161.74 36.51 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.811 0.339 . . . . 1.39 110.388 179.685 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 566' ' ' THR . . . . . 0.61 ' HB ' ' O ' ' A' ' 516' ' ' LYS . 10.1 t -67.43 -28.23 67.72 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.035 -0.53 . . . . 1.24 110.248 179.096 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 567' ' ' GLU . . . . . 0.462 ' HA ' ' OE1' ' A' ' 570' ' ' GLN . 8.2 pt-20 -58.64 -33.22 69.82 Favored 'General case' 0 C--O 1.231 0.088 0 CA-C-N 115.783 -0.644 . . . . 0.89 111.039 177.542 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 568' ' ' ALA . . . . . 0.642 ' O ' ' HG3' ' A' ' 572' ' ' MET . . . -74.21 -43.64 56.35 Favored 'General case' 0 N--CA 1.449 -0.511 0 CA-C-N 116.08 -0.509 . . . . 1.08 110.013 -178.665 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 569' ' ' ALA . . . . . 0.754 ' HA ' ' SD ' ' A' ' 563' ' ' MET . . . -63.26 -45.28 92.25 Favored 'General case' 0 N--CA 1.454 -0.234 0 CA-C-N 115.759 -0.655 . . . . 1.0 111.324 -176.224 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 570' ' ' GLN . . . . . 0.462 ' OE1' ' HA ' ' A' ' 567' ' ' GLU . 4.9 pt20 -67.32 -36.09 80.76 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.066 -0.515 . . . . 1.72 110.882 -179.052 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 571' ' ' ALA . . . . . . . . . . . . . . . -66.68 -45.56 78.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.393 -0.367 . . . . 1.08 111.222 -178.952 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 572' ' ' MET . . . . . 0.642 ' HG3' ' O ' ' A' ' 568' ' ' ALA . 20.9 mtt -68.53 -43.53 76.52 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.514 -0.312 . . . . 1.05 111.034 -176.621 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 573' ' ' VAL . . . . . 0.682 ' O ' ' HG2' ' A' ' 577' ' ' GLN . 70.4 t -59.08 -46.66 91.73 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.152 0 N-CA-C 110.261 -0.274 . . . . 1.08 110.261 179.342 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 574' ' ' GLN . . . . . . . . . . . . . 15.6 mm100 -61.56 -36.85 81.81 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.004 -0.544 . . . . 2.79 111.008 178.361 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 575' ' ' TYR . . . . . 0.483 ' CE2' ' HE3' ' A' ' 579' ' ' LYS . 70.6 t80 -64.6 -51.97 59.95 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.879 -0.6 . . . . 1.09 110.649 -179.326 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 576' ' ' TYR . . . . . 0.986 ' HH ' ' HB3' ' A' ' 540' ' ' LEU . 68.1 m-85 -72.64 -14.13 61.52 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 112.751 0.648 . . . . 1.03 112.751 -176.771 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 577' ' ' GLN . . . . . 0.682 ' HG2' ' O ' ' A' ' 573' ' ' VAL . 84.4 mm-40 -67.89 -42.43 81.23 Favored 'General case' 0 C--N 1.326 -0.425 0 C-N-CA 120.469 -0.492 . . . . 2.14 109.908 173.066 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 578' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -90.47 -38.65 13.11 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.153 -0.476 . . . . 2.14 111.505 178.907 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 579' ' ' LYS . . . . . 0.514 ' O ' ' HA ' ' A' ' 576' ' ' TYR . 52.2 mtmt -132.21 93.98 24.77 Favored Pre-proline 0 C--N 1.327 -0.403 0 N-CA-C 110.043 -0.355 . . . . 2.95 110.043 176.762 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 580' ' ' PRO . . . . . . . . . . . . . 57.3 Cg_endo -71.4 161.13 46.56 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.857 2.371 . . . . 0.51 112.242 -178.937 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 581' ' ' ALA . . . . . 0.613 ' HB3' ' CE1' ' A' ' 576' ' ' TYR . . . -90.53 128.94 36.71 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 109.722 -0.473 . . . . 1.09 109.722 178.872 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 582' ' ' ILE . . . . . . . . . . . . . 53.5 mt -103.08 119.58 51.71 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.8 0 CA-C-O 121.018 0.437 . . . . 1.19 111.094 -175.341 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 583' ' ' ILE . . . . . . . . . . . . . 32.0 mm -124.38 117.8 51.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 N-CA-C 109.27 -0.641 . . . . 1.21 109.27 176.669 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 584' ' ' ASN . . . . . . . . . . . . . 3.5 m-20 59.97 33.42 21.42 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-O 121.326 0.584 . . . . 1.34 110.278 -179.469 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 585' ' ' GLY . . . . . . . . . . . . . . . 79.17 3.88 88.61 Favored Glycine 0 N--CA 1.447 -0.598 0 CA-C-N 115.511 -0.768 . . . . 0.51 113.161 179.288 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 586' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -109.8 127.56 54.74 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.066 0.46 . . . . 1.79 110.806 -179.855 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 587' ' ' LYS . . . . . . . . . . . . . 53.4 mttp -75.72 124.89 28.02 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.519 -0.764 . . . . 2.25 111.412 -178.432 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 588' ' ' LEU . . . . . 0.464 HD13 HD12 ' A' ' 540' ' ' LEU . 60.0 mt -83.21 140.46 32.54 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.83 -0.623 . . . . 1.03 110.978 179.702 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 589' ' ' LEU . . . . . . . . . . . . . 55.9 tp -112.41 111.16 21.8 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.814 -0.63 . . . . 1.13 109.991 179.005 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 590' ' ' ILE . . . . . 0.688 HD13 ' CE2' ' A' ' 576' ' ' TYR . 16.3 mt -102.51 128.23 55.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-O 120.75 0.309 . . . . 1.08 110.24 176.657 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 591' ' ' ARG . . . . . . . . . . . . . 19.7 mtp180 -145.84 164.14 32.85 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.94 -0.573 . . . . 3.18 109.939 -176.055 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 592' ' ' MET . . . . . 0.435 ' SD ' ' HB1' ' A' ' 513' ' ' ALA . 60.8 mtt -82.28 148.77 28.17 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 120.949 0.404 . . . . 1.13 110.586 179.481 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 593' ' ' SER . . . . . 0.65 ' OG ' ' HB ' ' A' ' 521' ' ' VAL . 76.1 p -82.66 132.62 35.18 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.964 -0.562 . . . . 1.65 111.359 -175.016 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 594' ' ' THR . . . . . . . . . . . . . 18.9 p -90.99 -21.97 21.03 Favored 'General case' 0 C--N 1.315 -0.9 0 CA-C-N 115.548 -0.751 . . . . 1.14 111.46 176.194 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 595' ' ' ARG . . . . . 0.719 ' HD2' " H2'" ' B' ' 3' ' ' ' C' . 94.1 mtt180 -103.99 -31.32 9.78 Favored 'General case' 0 CA--C 1.534 0.331 0 N-CA-C 113.525 0.935 . . . . 3.37 113.525 -167.718 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 596' ' ' TYR . . . . . . . . . . . . . 67.6 m-85 -124.41 142.47 51.28 Favored 'General case' 0 N--CA 1.467 0.384 0 O-C-N 121.997 -0.439 . . . . 1.15 111.827 -176.774 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 597' ' ' LYS . . . . . 0.446 ' N ' ' HD2' ' A' ' 597' ' ' LYS . 8.5 mptt -109.15 -7.43 15.31 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.817 -0.628 . . . . 2.63 112.37 179.738 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 598' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -143.8 150.51 38.64 Favored 'General case' 0 C--N 1.328 -0.368 0 C-N-CA 120.414 -0.514 . . . . 0.95 110.735 -178.19 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 599' ' ' LEU . . . . . 0.459 HD22 HG13 ' A' ' 521' ' ' VAL . 33.5 mt -108.11 121.49 44.94 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.557 -0.747 . . . . 1.18 111.172 176.649 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 600' ' ' GLN . . . . . . . . . . . . . 28.6 tt0 -106.51 126.9 52.84 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.21 -0.905 . . . . 1.65 109.746 178.714 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 601' ' ' LEU . . . . . . . . . . . . . 94.1 mt -91.23 89.12 7.18 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.149 0.5 . . . . 1.23 111.226 -176.019 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 602' ' ' LYS . . . . . . . . . . . . . 45.2 mtpt -79.04 -19.01 52.5 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.256 0.551 . . . . 2.22 110.088 177.176 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 603' ' ' LYS . . . . . . . . . . . . . 34.3 mmtp -115.87 152.52 47.59 Favored Pre-proline 0 C--N 1.324 -0.535 0 CA-C-N 115.733 -0.667 . . . . 2.26 109.983 179.629 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 604' ' ' PRO . . . . . . . . . . . . . 11.4 Cg_endo -55.41 131.83 48.55 Favored 'Trans proline' 0 C--N 1.344 0.318 0 C-N-CA 122.881 2.388 . . . . 1.26 112.224 178.883 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 605' ' ' GLY . . . . . . . . . . . . . . . 173.78 75.91 0.05 OUTLIER Glycine 0 N--CA 1.445 -0.723 0 N-CA-C 111.31 -0.716 . . . . 1.23 111.31 -177.899 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 606' ' ' LYS . . . . . . . . . . . . . 58.4 pttt -117.09 -30.72 5.58 Favored 'General case' 0 C--N 1.324 -0.508 0 C-N-CA 120.847 -0.341 . . . . 3.96 111.845 -174.791 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 607' ' ' ASN . . . . . . . . . . . . . 40.2 t-20 -80.75 119.19 23.02 Favored 'General case' 0 C--N 1.329 -0.309 0 C-N-CA 119.456 -0.898 . . . . 1.8 109.957 -178.818 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 608' ' ' VAL . . . . . 0.529 HG11 ' HB ' ' A' ' 547' ' ' VAL . 97.9 t -127.03 -5.44 4.58 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.815 0 CA-C-O 121.962 0.887 . . . . 1.07 108.834 174.781 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 609' ' ' ALA . . . . . . . . . . . . . . . -70.04 -44.12 69.86 Favored 'General case' 0 C--O 1.236 0.358 0 CA-C-N 115.089 -0.96 . . . . 1.27 110.446 178.106 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 610' ' ' ALA . . . . . . . . . . . . . . . -61.11 -29.7 69.92 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.166 -0.925 . . . . 1.14 110.55 -179.317 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 611' ' ' ILE . . . . . 0.497 ' CD1' HD13 ' A' ' 538' ' ' ILE . 72.4 mt -71.41 -34.29 52.94 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.501 0 CA-C-N 115.576 -0.738 . . . . 1.03 109.927 -178.624 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 612' ' ' ILE . . . . . 0.407 HG12 HD12 ' A' ' 542' ' ' LEU . 65.7 mt -60.68 -43.21 94.46 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.174 0 N-CA-C 109.725 -0.472 . . . . 1.11 109.725 174.055 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 613' ' ' GLN . . . . . . . . . . . . . 24.8 mm-40 -66.48 -35.26 79.82 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.837 -0.62 . . . . 3.02 109.8 179.917 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 614' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -65.98 -40.22 91.01 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 114.978 -1.01 . . . . 1.95 110.475 -179.872 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 615' ' ' ILE . . . . . 0.466 HG13 ' O ' ' A' ' 611' ' ' ILE . 87.4 mt -59.64 -42.2 87.63 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.227 0 CA-C-N 116.4 -0.364 . . . . 1.08 110.425 176.652 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 616' ' ' HIS . . . . . . . . . . . . . 81.7 m-70 -65.88 -26.68 67.74 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.408 -0.36 . . . . 1.73 110.914 178.562 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 617' ' ' SER . . . . . . . . . . . . . 15.2 m -74.72 -29.47 61.19 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.92 0.39 . . . . 1.77 110.738 176.013 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 618' ' ' GLN . . . . . . . . . . . . . 31.2 mm-40 -92.24 -67.93 0.83 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.136 -0.484 . . . . 5.45 111.328 -177.759 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 619' ' ' ARG . . . . . . . . . . . . . 29.6 mtm-85 60.36 80.3 0.21 Allowed 'General case' 0 C--O 1.234 0.256 0 CA-C-N 115.722 -0.672 . . . . 8.54 111.172 -178.13 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 620' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -72.95 88.64 1.37 Allowed 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.069 0.461 . . . . 7.92 110.234 177.56 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 621' ' ' ARG . . . . . . . . . . . . . 29.3 mmm180 . . . . . 0 C--O 1.244 0.771 0 CA-C-O 118.523 -0.751 . . . . 11.52 109.503 177.828 . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' B' B ' 1' ' ' ADN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' B' B ' 2' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.844 0 C3'-C2'-C1' 99.634 -2.074 . 0.0 '__' . 2.99 . . . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' B' B ' 3' ' ' ' C' . . . . . 0.426 " H4'" ' HE1' ' A' ' 553' ' ' MET . . . . . . . . 0 O5'--C5' 1.425 -0.939 0 C4'-C3'-C2' 104.09 1.39 . 0.0 OUTLIER . 1.58 . . . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 4' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.837 0 C4'-C3'-C2' 103.881 1.181 . 0.0 OUTLIER gamma 1.21 . . . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 5' ' ' ' U' . . . . . 0.591 ' C2 ' HG22 ' A' ' 551' ' ' ILE . . . . . . . . 0 O5'--C5' 1.423 -1.044 0 C3'-C2'-C1' 99.245 -2.506 . 0.459 4b . 1.33 . . . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 6' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.928 0 C3'-C2'-C1' 100.567 -1.036 . 0.0 OUTLIER gamma 4.58 . . . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 510' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.776 0 N-CA-C 111.94 -0.464 . . . . 9.27 111.94 . . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' A' A ' 511' ' ' ALA . . . . . . . . . . . . . . . -132.42 48.42 2.42 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.161 0.505 . . . . 6.96 110.401 179.481 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 512' ' ' MET . . . . . . . . . . . . . 44.1 tpp -92.09 -27.49 17.73 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.01 -0.541 . . . . 6.68 110.87 -178.77 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 513' ' ' ALA . . . . . . . . . . . . . . . -101.08 46.42 0.94 Allowed 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.052 0.453 . . . . 4.66 111.123 -177.191 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 514' ' ' GLN . . . . . 0.41 ' HB3' ' HD3' ' A' ' 516' ' ' LYS . 12.1 mm100 -75.36 113.72 13.06 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.269 -0.423 . . . . 2.88 110.422 -179.877 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 515' ' ' ARG . . . . . . . . . . . . . 85.4 mtt180 -82.18 90.71 6.61 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.844 -0.617 . . . . 4.64 110.197 -179.325 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 516' ' ' LYS . . . . . 0.465 ' HE2' ' SD ' ' A' ' 592' ' ' MET . 25.8 mmmt -96.03 9.19 41.61 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.978 -0.555 . . . . 2.38 110.214 -176.644 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 517' ' ' GLY . . . . . . . . . . . . . . . -90.5 127.0 8.6 Favored Glycine 0 N--CA 1.447 -0.605 0 C-N-CA 120.794 -0.717 . . . . 2.04 111.915 179.894 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 518' ' ' ALA . . . . . . . . . . . . . . . 56.21 42.55 27.93 Favored 'General case' 0 C--O 1.23 0.077 0 CA-C-O 121.309 0.576 . . . . 1.94 110.325 -177.695 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 519' ' ' GLY . . . . . . . . . . . . . . . 158.47 114.63 0.4 Allowed Glycine 0 N--CA 1.444 -0.778 0 CA-C-N 115.316 -0.856 . . . . 0.98 111.064 -176.916 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 520' ' ' ARG . . . . . . . . . . . . . 49.0 mtm-85 -133.76 134.82 43.4 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.31 0.576 . . . . 2.86 111.031 179.078 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 521' ' ' VAL . . . . . 0.524 HG11 HD21 ' A' ' 599' ' ' LEU . 91.4 t -115.65 122.7 69.98 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.872 0 CA-C-N 115.145 -0.934 . . . . 1.14 110.349 170.465 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 522' ' ' VAL . . . . . 0.526 ' HB ' ' O ' ' A' ' 561' ' ' LEU . 22.3 t -120.66 121.2 64.74 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.732 0 N-CA-C 107.672 -1.233 . . . . 1.05 107.672 174.113 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 523' ' ' HIS . . . . . . . . . . . . . 40.7 t-80 -106.31 130.13 54.2 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-O 121.058 0.456 . . . . 0.57 110.12 -173.765 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 524' ' ' ILE . . . . . . . . . . . . . 31.5 mt -111.17 136.04 48.47 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.999 0 N-CA-C 108.717 -0.845 . . . . 1.06 108.717 178.621 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 525' ' ' CYS . . . . . 0.517 ' O ' ' HB2' ' A' ' 526' ' ' ASN . 1.8 p -139.03 166.61 24.06 Favored 'General case' 0 C--N 1.311 -1.092 0 C-N-CA 120.684 -0.406 . . . . 1.75 111.3 -173.764 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 526' ' ' ASN . . . . . 0.517 ' HB2' ' O ' ' A' ' 525' ' ' CYS . 95.5 m-20 87.39 28.25 0.03 OUTLIER 'General case' 0 N--CA 1.468 0.462 0 O-C-N 124.983 1.427 . . . . 0.28 110.291 178.041 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 527' ' ' LEU . . . . . 0.414 ' HA ' ' HD3' ' A' ' 528' ' ' PRO . 81.3 mt -87.49 125.58 64.96 Favored Pre-proline 0 N--CA 1.449 -0.524 0 CA-C-N 115.207 -0.906 . . . . 1.04 108.86 177.036 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 528' ' ' PRO . . . . . 0.414 ' HD3' ' HA ' ' A' ' 527' ' ' LEU . 6.9 Cg_exo -70.56 134.6 26.64 Favored 'Trans proline' 0 N--CA 1.46 -0.499 0 C-N-CA 121.727 1.618 . . . . 0.5 111.566 -178.873 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 529' ' ' GLU . . . . . 0.407 ' HB2' ' ND2' ' A' ' 557' ' ' ASN . 52.9 tt0 -66.06 133.82 51.56 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.155 -0.475 . . . . 1.6 109.721 178.782 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 530' ' ' GLY . . . . . . . . . . . . . . . 87.64 3.55 80.73 Favored Glycine 0 N--CA 1.446 -0.639 0 C-N-CA 120.305 -0.95 . . . . 0.52 111.13 -173.382 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 531' ' ' SER . . . . . . . . . . . . . 57.3 m -149.05 17.86 0.97 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.005 0.431 . . . . 1.49 110.73 -177.167 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 532' ' ' CYS . . . . . . . . . . . . . 57.3 m -92.02 95.2 9.65 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 108.921 -0.77 . . . . 0.25 108.921 177.0 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 533' ' ' THR . . . . . 0.583 ' O ' HG22 ' A' ' 537' ' ' VAL . 81.1 p -106.92 150.2 26.68 Favored 'General case' 0 C--N 1.322 -0.609 0 C-N-CA 120.372 -0.531 . . . . 1.1 110.114 -177.737 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 534' ' ' GLU . . . . . 0.564 ' N ' HD12 ' A' ' 552' ' ' LEU . 37.2 mt-10 -67.48 -35.84 79.94 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.354 0.597 . . . . 1.64 110.065 -178.93 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 535' ' ' ASN . . . . . . . . . . . . . 54.9 t30 -63.21 -48.55 77.83 Favored 'General case' 0 C--O 1.215 -0.754 0 CA-C-N 114.847 -1.069 . . . . 1.86 111.232 -173.737 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 536' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -70.66 -40.9 72.73 Favored 'General case' 0 N--CA 1.469 0.478 0 CA-C-O 121.207 0.527 . . . . 0.61 111.438 -173.701 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 537' ' ' VAL . . . . . 0.583 HG22 ' O ' ' A' ' 533' ' ' THR . 38.3 t -59.77 -47.92 89.53 Favored 'Isoleucine or valine' 0 C--O 1.241 0.656 0 CA-C-O 122.149 0.976 . . . . 1.03 109.575 179.2 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 538' ' ' ILE . . . . . 0.613 HD13 ' CG ' ' A' ' 550' ' ' TYR . 66.6 mt -68.43 -33.28 59.36 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.728 0 CA-C-N 114.936 -1.029 . . . . 1.06 111.364 175.799 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 539' ' ' ASN . . . . . 0.431 ' HA ' HD13 ' A' ' 615' ' ' ILE . 11.1 m120 -57.35 -27.73 62.52 Favored 'General case' 0 CA--C 1.51 -0.56 0 N-CA-C 110.08 -0.341 . . . . 0.25 110.08 177.108 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 540' ' ' LEU . . . . . 0.473 HD11 HD12 ' A' ' 588' ' ' LEU . 40.5 mt -76.62 -41.42 46.05 Favored 'General case' 0 C--N 1.321 -0.638 0 C-N-CA 120.704 -0.398 . . . . 1.11 110.37 174.433 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 541' ' ' GLY . . . . . . . . . . . . . . . -64.57 -51.2 54.21 Favored Glycine 0 CA--C 1.527 0.801 0 N-CA-C 115.814 1.086 . . . . 0.19 115.814 -179.753 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 542' ' ' LEU . . . . . 0.479 HD11 ' CG1' ' A' ' 612' ' ' ILE . 54.7 mt -62.08 -42.73 83.33 Favored Pre-proline 0 C--N 1.319 -0.749 0 N-CA-C 115.448 1.647 . . . . 1.06 115.448 -168.326 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 543' ' ' PRO . . . . . . . . . . . . . 50.7 Cg_exo -60.18 -26.73 83.3 Favored 'Trans proline' 0 CA--C 1.531 0.329 0 C-N-CA 121.547 1.498 . . . . 0.25 113.362 -178.12 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 544' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -102.47 -15.09 16.58 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 112.148 0.425 . . . . 0.38 112.148 -179.555 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 545' ' ' GLY . . . . . 0.405 ' O ' ' HA ' ' A' ' 542' ' ' LEU . . . -171.59 -175.53 39.99 Favored Glycine 0 C--O 1.224 -0.476 0 C-N-CA 120.089 -1.053 . . . . 0.44 112.599 -177.074 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 546' ' ' LYS . . . . . . . . . . . . . 25.1 ttmm -94.99 122.74 37.95 Favored 'General case' 0 C--N 1.318 -0.775 0 N-CA-C 109.854 -0.425 . . . . 2.62 109.854 -178.152 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 547' ' ' VAL . . . . . 0.533 ' HB ' HG12 ' A' ' 608' ' ' VAL . 83.1 t -88.96 113.46 25.62 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.63 0 CA-C-O 121.316 0.579 . . . . 1.05 110.271 175.289 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 548' ' ' THR . . . . . . . . . . . . . 21.4 p -98.35 -34.97 10.46 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-N 115.536 -0.756 . . . . 1.11 111.544 177.975 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 549' ' ' ASN . . . . . 0.452 ' ND2' ' HG ' ' A' ' 601' ' ' LEU . 7.0 m-20 -140.5 150.59 43.94 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.011 -0.541 . . . . 1.49 110.324 -178.657 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 550' ' ' TYR . . . . . 0.613 ' CG ' HD13 ' A' ' 538' ' ' ILE . 1.2 p90 -151.82 150.78 30.51 Favored 'General case' 0 C--N 1.317 -0.827 0 CA-C-N 115.449 -0.796 . . . . 0.96 109.008 179.348 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 551' ' ' ILE . . . . . 0.591 HG22 ' C2 ' ' B' ' 5' ' ' ' U' . 47.8 mt -144.4 123.38 6.8 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 N-CA-C 108.246 -1.02 . . . . 1.1 108.246 -176.529 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 552' ' ' LEU . . . . . 0.564 HD12 ' N ' ' A' ' 534' ' ' GLU . 23.8 mt -107.56 122.28 46.35 Favored 'General case' 0 C--N 1.317 -0.846 0 C-N-CA 120.117 -0.633 . . . . 1.17 109.954 -179.475 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 553' ' ' MET . . . . . 0.547 ' HA ' " H4'" ' B' ' 5' ' ' ' U' . 53.6 mtm -109.0 82.49 1.6 Allowed 'General case' 0 C--N 1.316 -0.867 0 N-CA-C 108.592 -0.892 . . . . 1.55 108.592 179.529 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 554' ' ' LYS . . . . . . . . . . . . . 24.7 mmtp -54.08 -29.96 46.48 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 114.483 -1.235 . . . . 1.63 112.643 178.212 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 555' ' ' SER . . . . . . . . . . . . . 61.2 p -69.99 -41.39 74.46 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 120.808 0.337 . . . . 0.7 111.031 -174.925 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 556' ' ' THR . . . . . . . . . . . . . 71.6 p -98.08 3.85 49.23 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 112.304 0.483 . . . . 1.14 112.304 -177.3 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 557' ' ' ASN . . . . . 0.492 ' N ' HD21 ' A' ' 557' ' ' ASN . 0.8 OUTLIER 58.74 38.72 24.83 Favored 'General case' 0 N--CA 1.47 0.57 0 CA-C-O 121.563 0.697 . . . . 2.03 110.367 -178.868 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 558' ' ' GLN . . . . . . . . . . . . . 42.6 mt-30 -142.04 168.05 20.68 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.303 -0.862 . . . . 1.24 110.154 -176.682 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 559' ' ' ALA . . . . . . . . . . . . . . . -156.94 165.1 37.12 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.118 0.485 . . . . 1.04 111.686 -176.932 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 560' ' ' PHE . . . . . 0.412 ' HB2' ' HB ' ' A' ' 551' ' ' ILE . 85.1 m-85 -120.98 149.91 41.94 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.875 -0.602 . . . . 0.46 111.337 176.737 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 561' ' ' LEU . . . . . 0.526 ' O ' ' HB ' ' A' ' 522' ' ' VAL . 51.4 tp -137.22 120.44 16.79 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.289 -0.869 . . . . 1.06 109.897 -178.845 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 562' ' ' GLU . . . . . 0.426 ' HB3' ' HB2' ' A' ' 549' ' ' ASN . 31.3 tt0 -98.94 132.86 43.94 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.345 0.593 . . . . 2.09 110.612 179.031 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 563' ' ' MET . . . . . 0.634 ' SD ' ' HA ' ' A' ' 569' ' ' ALA . 39.0 mtt -118.78 152.85 35.43 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 114.943 -1.026 . . . . 1.06 109.142 -177.418 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 564' ' ' ALA . . . . . . . . . . . . . . . -76.83 -20.06 56.8 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.333 -0.394 . . . . 1.25 111.86 -169.212 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 565' ' ' TYR . . . . . . . . . . . . . 91.5 m-85 -141.7 151.86 43.35 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.388 -0.369 . . . . 1.39 110.383 179.917 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 566' ' ' THR . . . . . . . . . . . . . 15.0 t -67.76 -27.63 66.94 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-N 115.686 -0.688 . . . . 1.24 110.454 -178.671 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 567' ' ' GLU . . . . . 0.543 ' HA ' HE21 ' A' ' 570' ' ' GLN . 7.7 pt-20 -58.77 -31.81 68.71 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-N 116.005 -0.543 . . . . 0.89 111.343 176.011 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 568' ' ' ALA . . . . . 0.645 ' O ' ' HG3' ' A' ' 572' ' ' MET . . . -72.97 -42.56 63.23 Favored 'General case' 0 N--CA 1.449 -0.488 0 CA-C-N 116.278 -0.419 . . . . 1.08 110.22 -177.653 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 569' ' ' ALA . . . . . 0.634 ' HA ' ' SD ' ' A' ' 563' ' ' MET . . . -64.09 -45.9 86.63 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.925 -0.579 . . . . 1.0 111.535 -175.908 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 570' ' ' GLN . . . . . 0.543 HE21 ' HA ' ' A' ' 567' ' ' GLU . 25.5 pt20 -69.11 -36.1 77.16 Favored 'General case' 0 C--N 1.328 -0.338 0 C-N-CA 120.697 -0.401 . . . . 1.72 110.707 -178.346 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 571' ' ' ALA . . . . . . . . . . . . . . . -64.39 -44.11 92.36 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.241 -0.436 . . . . 1.08 111.06 -179.777 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 572' ' ' MET . . . . . 0.645 ' HG3' ' O ' ' A' ' 568' ' ' ALA . 28.4 mtt -67.82 -41.49 82.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.439 -0.346 . . . . 1.05 110.506 -179.207 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 573' ' ' VAL . . . . . 0.543 HG23 ' O ' ' A' ' 569' ' ' ALA . 82.0 t -58.54 -45.96 90.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 N-CA-C 110.039 -0.356 . . . . 1.08 110.039 177.817 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 574' ' ' GLN . . . . . . . . . . . . . 15.3 mm-40 -60.98 -40.3 92.92 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.39 -0.368 . . . . 2.79 110.989 178.463 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 575' ' ' TYR . . . . . . . . . . . . . 76.5 t80 -68.0 -53.03 29.02 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 116.057 -0.52 . . . . 1.09 110.928 -177.685 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 576' ' ' TYR . . . . . 0.442 ' CD2' HD12 ' A' ' 590' ' ' ILE . 93.2 m-85 -75.04 -12.61 60.36 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 112.971 0.73 . . . . 1.03 112.971 -174.96 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 577' ' ' GLN . . . . . 0.445 ' HA ' ' OE1' ' A' ' 577' ' ' GLN . 12.4 mm-40 -74.22 -41.42 61.4 Favored 'General case' 0 C--N 1.323 -0.557 0 C-N-CA 120.282 -0.567 . . . . 2.14 110.173 171.261 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 578' ' ' GLU . . . . . . . . . . . . . 48.6 mt-10 -87.39 -37.75 16.78 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.353 -0.385 . . . . 2.14 111.318 179.329 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 579' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -133.21 85.4 44.83 Favored Pre-proline 0 C--N 1.326 -0.424 0 CA-C-O 120.765 0.317 . . . . 2.95 110.269 176.898 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 580' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo -70.12 161.89 44.3 Favored 'Trans proline' 0 C--O 1.236 0.38 0 C-N-CA 123.147 2.564 . . . . 0.51 112.759 -179.793 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 581' ' ' ALA . . . . . . . . . . . . . . . -92.85 137.9 31.96 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.03 -0.532 . . . . 1.09 110.353 -178.924 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 582' ' ' ILE . . . . . . . . . . . . . 65.5 mt -98.94 122.03 50.2 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.682 0 CA-C-O 120.945 0.403 . . . . 1.19 111.116 -177.344 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 583' ' ' ILE . . . . . 0.445 HG13 HD13 ' A' ' 588' ' ' LEU . 28.5 mm -126.89 112.29 28.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 115.979 -0.555 . . . . 1.21 109.908 175.296 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 584' ' ' ASN . . . . . . . . . . . . . 51.4 m-80 53.73 39.71 30.59 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-O 121.482 0.658 . . . . 1.34 111.03 -179.483 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 585' ' ' GLY . . . . . . . . . . . . . . . 84.62 0.12 89.24 Favored Glycine 0 N--CA 1.445 -0.737 0 CA-C-N 114.958 -1.019 . . . . 0.51 113.926 175.149 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 586' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -114.63 127.75 55.94 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 117.263 0.531 . . . . 1.79 111.005 -179.89 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 587' ' ' LYS . . . . . . . . . . . . . 96.3 mttt -73.3 130.13 39.53 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.723 -0.671 . . . . 2.25 111.327 179.548 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 588' ' ' LEU . . . . . 0.473 HD12 HD11 ' A' ' 540' ' ' LEU . 33.5 mt -85.54 141.2 30.04 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.011 -0.541 . . . . 1.03 111.032 179.689 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 589' ' ' LEU . . . . . 0.413 ' HB3' ' SG ' ' A' ' 525' ' ' CYS . 61.1 tp -112.7 112.41 23.91 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.825 -0.625 . . . . 1.13 110.486 178.213 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 590' ' ' ILE . . . . . 0.442 HD12 ' CD2' ' A' ' 576' ' ' TYR . 23.5 mt -99.89 120.21 48.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 N-CA-C 109.899 -0.408 . . . . 1.08 109.899 175.217 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 591' ' ' ARG . . . . . . . . . . . . . 58.1 mtp180 -147.46 165.36 30.51 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.242 -0.436 . . . . 3.18 110.332 -176.643 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 592' ' ' MET . . . . . 0.465 ' SD ' ' HE2' ' A' ' 516' ' ' LYS . 52.0 mtt -83.29 139.44 33.07 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 109.73 -0.47 . . . . 1.13 109.73 179.473 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 593' ' ' SER . . . . . . . . . . . . . 37.7 t -78.46 139.98 38.67 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.365 0.602 . . . . 1.65 110.965 -178.473 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 594' ' ' THR . . . . . . . . . . . . . 21.0 p -90.21 -13.02 36.34 Favored 'General case' 0 C--N 1.316 -0.875 0 CA-C-N 114.934 -1.03 . . . . 1.14 111.493 -178.98 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 595' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -101.73 -27.46 13.03 Favored 'General case' 0 C--O 1.234 0.26 0 N-CA-C 113.055 0.761 . . . . 3.37 113.055 -169.671 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 596' ' ' TYR . . . . . . . . . . . . . 98.3 m-85 -129.04 148.24 50.98 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 112.411 0.523 . . . . 1.15 112.411 -175.227 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 597' ' ' LYS . . . . . . . . . . . . . 9.2 mptt -108.81 -8.72 15.28 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.326 -0.852 . . . . 2.63 111.574 176.456 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 598' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -142.85 150.47 39.94 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.135 0.493 . . . . 0.95 111.258 -177.752 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 599' ' ' LEU . . . . . 0.524 HD21 HG11 ' A' ' 521' ' ' VAL . 81.6 mt -115.34 123.65 49.26 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.288 -0.869 . . . . 1.18 110.683 176.584 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 600' ' ' GLN . . . . . . . . . . . . . 22.6 tt0 -113.87 121.98 45.64 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.305 -0.407 . . . . 1.65 110.459 179.468 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 601' ' ' LEU . . . . . 0.452 ' HG ' ' ND2' ' A' ' 549' ' ' ASN . 80.5 mt -72.46 100.64 2.75 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.864 0.364 . . . . 1.23 111.188 178.954 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 602' ' ' LYS . . . . . . . . . . . . . 94.3 mttt -83.01 -14.91 53.08 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.489 0.661 . . . . 2.22 109.474 171.352 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 603' ' ' LYS . . . . . . . . . . . . . 34.9 mmtp -123.15 135.18 25.66 Favored Pre-proline 0 C--N 1.322 -0.615 0 CA-C-N 115.146 -0.933 . . . . 2.26 108.793 175.446 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 604' ' ' PRO . . . . . . . . . . . . . 21.6 Cg_endo -61.42 158.5 35.76 Favored 'Trans proline' 0 C--O 1.236 0.396 0 C-N-CA 122.564 2.176 . . . . 1.26 112.537 -177.724 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 605' ' ' GLY . . . . . . . . . . . . . . . -122.75 143.2 15.17 Favored Glycine 0 N--CA 1.438 -1.179 0 C-N-CA 120.91 -0.662 . . . . 1.23 111.532 -176.939 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 606' ' ' LYS . . . . . . . . . . . . . 33.7 mmtp -81.19 165.59 21.38 Favored 'General case' 0 C--N 1.314 -0.947 0 N-CA-C 108.947 -0.76 . . . . 3.96 108.947 178.292 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 607' ' ' ASN . . . . . . . . . . . . . 28.0 t-20 -57.98 120.22 8.15 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.258 0.552 . . . . 1.8 110.752 175.623 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 608' ' ' VAL . . . . . 0.533 HG12 ' HB ' ' A' ' 547' ' ' VAL . 72.5 t -86.45 -20.35 7.86 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-N 115.498 -0.773 . . . . 1.07 111.002 -176.204 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 609' ' ' ALA . . . . . . . . . . . . . . . -61.35 -32.56 72.46 Favored 'General case' 0 C--O 1.238 0.491 0 CA-C-O 121.333 0.587 . . . . 1.27 111.097 177.396 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 610' ' ' ALA . . . . . . . . . . . . . . . -64.96 -27.59 68.94 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.968 -0.56 . . . . 1.14 110.204 177.217 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 611' ' ' ILE . . . . . 0.438 ' O ' HG13 ' A' ' 615' ' ' ILE . 76.0 mt -71.54 -30.47 39.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-N 115.798 -0.637 . . . . 1.03 110.107 178.401 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 612' ' ' ILE . . . . . 0.479 ' CG1' HD11 ' A' ' 542' ' ' LEU . 61.4 mt -60.47 -43.71 94.81 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.247 0 N-CA-C 109.55 -0.537 . . . . 1.11 109.55 171.993 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 613' ' ' GLN . . . . . . . . . . . . . 25.7 mt-30 -62.62 -33.9 75.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.559 -0.746 . . . . 3.02 110.158 177.465 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 614' ' ' ASP . . . . . . . . . . . . . 23.4 t70 -65.97 -44.8 83.88 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.234 -0.894 . . . . 1.95 110.607 179.374 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 615' ' ' ILE . . . . . 0.438 HG13 ' O ' ' A' ' 611' ' ' ILE . 83.9 mt -62.1 -47.41 93.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 115.881 -0.6 . . . . 1.08 110.768 -179.989 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 616' ' ' HIS . . . . . . . . . . . . . 20.0 m-70 -63.47 -31.42 72.57 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.008 -0.542 . . . . 1.73 111.214 -179.452 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 617' ' ' SER . . . . . . . . . . . . . 64.2 m -75.11 -26.23 59.09 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.659 -0.246 . . . . 1.77 110.658 176.038 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 618' ' ' GLN . . . . . 0.436 ' C ' ' HD2' ' A' ' 619' ' ' ARG . 85.6 mm-40 68.92 -68.77 0.17 Allowed 'General case' 0 N--CA 1.467 0.416 0 C-N-CA 123.61 0.764 . . . . 5.45 110.465 -175.427 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 619' ' ' ARG . . . . . 0.436 ' HD2' ' C ' ' A' ' 618' ' ' GLN . 7.4 mpt_? -123.98 145.64 49.04 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 109.176 -0.676 . . . . 8.54 109.176 175.029 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 620' ' ' GLU . . . . . . . . . . . . . 29.9 tt0 62.21 78.29 0.3 Allowed 'General case' 0 C--N 1.327 -0.397 0 O-C-N 123.757 0.661 . . . . 7.92 110.759 179.365 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 621' ' ' ARG . . . . . 0.407 ' OXT' ' HG3' ' A' ' 621' ' ' ARG . 10.2 ptp180 . . . . . 0 C--O 1.249 1.028 0 CA-C-O 118.504 -0.76 . . . . 11.52 110.419 178.023 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 520' ' ' ARG . . . . . . . . . . . . . 13.3 mtm-85 . . . . . 0 N--CA 1.453 -0.287 0 CA-C-O 121.005 0.431 . . . . 2.22 110.44 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 521' ' ' VAL . . . . . 0.694 HG13 HD21 ' A' ' 599' ' ' LEU . 94.8 t -116.77 121.01 66.75 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.703 0 CA-C-N 115.913 -0.585 . . . . 0.32 110.038 167.731 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 522' ' ' VAL . . . . . 0.617 ' HB ' ' O ' ' A' ' 561' ' ' LEU . 28.3 t -120.3 121.32 65.37 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.882 0 N-CA-C 107.639 -1.245 . . . . 0.22 107.639 175.457 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 523' ' ' HIS . . . . . . . . . . . . . 45.1 t-80 -105.57 130.44 53.62 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-O 121.176 0.512 . . . . 0.44 110.651 -172.65 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 524' ' ' ILE . . . . . 0.417 HG12 HG12 ' A' ' 590' ' ' ILE . 27.5 mt -111.23 142.43 23.66 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.882 0 N-CA-C 108.223 -1.029 . . . . 0.19 108.223 176.759 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 525' ' ' CYS . . . . . 0.475 ' O ' ' HB2' ' A' ' 526' ' ' ASN . 1.3 p -143.29 166.05 25.79 Favored 'General case' 0 C--N 1.313 -1.004 0 C-N-CA 120.325 -0.55 . . . . 1.17 111.526 -176.748 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 526' ' ' ASN . . . . . 0.475 ' HB2' ' O ' ' A' ' 525' ' ' CYS . 86.5 m-20 87.38 27.32 0.04 OUTLIER 'General case' 0 N--CA 1.467 0.385 0 O-C-N 125.154 1.533 . . . . 0.26 110.042 179.135 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 527' ' ' LEU . . . . . 0.444 ' HA ' ' HD3' ' A' ' 528' ' ' PRO . 80.5 mt -92.22 123.27 63.0 Favored Pre-proline 0 C--N 1.327 -0.412 0 CA-C-N 115.247 -0.888 . . . . 0.25 109.027 177.206 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 528' ' ' PRO . . . . . 0.444 ' HD3' ' HA ' ' A' ' 527' ' ' LEU . 3.2 Cg_exo -74.19 135.25 20.44 Favored 'Trans proline' 0 N--CA 1.46 -0.499 0 C-N-CA 121.829 1.686 . . . . 0.38 111.973 -177.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 529' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -64.34 129.31 39.44 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 109.37 -0.604 . . . . 1.6 109.37 174.619 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 530' ' ' GLY . . . . . . . . . . . . . . . 93.65 4.29 63.89 Favored Glycine 0 N--CA 1.445 -0.763 0 C-N-CA 120.211 -0.995 . . . . 0.48 110.639 -171.888 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 531' ' ' SER . . . . . . . . . . . . . 48.0 m -149.19 7.65 0.7 Allowed 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.23 -0.485 . . . . 1.08 110.223 -179.119 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 532' ' ' CYS . . . . . 0.537 ' HB2' ' HD2' ' A' ' 554' ' ' LYS . 66.8 m -89.27 86.54 6.86 Favored 'General case' 0 CA--C 1.515 -0.375 0 N-CA-C 108.789 -0.819 . . . . 0.25 108.789 177.254 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 533' ' ' THR . . . . . 0.525 ' O ' HG23 ' A' ' 537' ' ' VAL . 72.4 p -98.03 147.45 24.51 Favored 'General case' 0 N--CA 1.442 -0.851 0 C-N-CA 119.999 -0.68 . . . . 0.35 109.787 -178.066 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 534' ' ' GLU . . . . . 0.665 ' HA ' HD11 ' A' ' 552' ' ' LEU . 35.2 mt-10 -68.55 -36.15 78.41 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.55 0.69 . . . . 1.64 110.279 -177.207 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 535' ' ' ASN . . . . . . . . . . . . . 4.7 t-20 -66.0 -46.73 76.92 Favored 'General case' 0 C--O 1.216 -0.68 0 CA-C-N 114.602 -1.181 . . . . 1.82 110.833 -175.376 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 536' ' ' ASP . . . . . 0.44 ' HA ' ' OD1' ' A' ' 539' ' ' ASN . 1.3 m-20 -71.31 -41.79 69.44 Favored 'General case' 0 N--CA 1.474 0.75 0 CA-C-O 121.112 0.482 . . . . 0.61 111.893 -172.137 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 537' ' ' VAL . . . . . 0.525 HG23 ' O ' ' A' ' 533' ' ' THR . 45.8 t -58.97 -46.52 91.49 Favored 'Isoleucine or valine' 0 C--O 1.242 0.686 0 CA-C-O 122.267 1.032 . . . . 0.15 109.335 178.344 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 538' ' ' ILE . . . . . 0.641 HD11 ' CG ' ' A' ' 550' ' ' TYR . 27.6 mt -67.85 -32.37 56.18 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.789 0 CA-C-N 114.914 -1.039 . . . . 0.23 111.398 174.592 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 539' ' ' ASN . . . . . 0.484 ' HA ' HD11 ' A' ' 615' ' ' ILE . 11.1 m120 -57.69 -28.21 63.6 Favored 'General case' 0 CA--C 1.513 -0.474 0 N-CA-C 110.427 -0.212 . . . . 0.25 110.427 177.422 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 540' ' ' LEU . . . . . 0.454 HD11 HD12 ' A' ' 588' ' ' LEU . 83.4 mt -75.79 -42.64 49.51 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 109.613 -0.514 . . . . 0.27 109.613 173.91 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 541' ' ' GLY . . . . . 0.442 ' CA ' HD21 ' A' ' 561' ' ' LEU . . . -64.44 -52.75 40.7 Favored Glycine 0 CA--C 1.525 0.709 0 N-CA-C 115.714 1.046 . . . . 0.19 115.714 -178.678 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 542' ' ' LEU . . . . . 0.507 ' HA ' ' O ' ' A' ' 545' ' ' GLY . 42.5 mt -57.63 -46.15 99.78 Favored Pre-proline 0 C--N 1.32 -0.68 0 N-CA-C 115.056 1.502 . . . . 0.2 115.056 -168.386 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 543' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_exo -60.1 -26.12 81.64 Favored 'Trans proline' 0 C--N 1.347 0.459 0 C-N-CA 122.059 1.84 . . . . 0.23 113.603 -177.592 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 544' ' ' PHE . . . . . 0.456 ' HB2' ' HE2' ' A' ' 572' ' ' MET . 94.0 m-85 -98.6 -14.78 19.74 Favored 'General case' 0 C--N 1.331 -0.221 0 O-C-N 121.848 -0.533 . . . . 0.33 111.145 177.682 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 545' ' ' GLY . . . . . 0.507 ' O ' ' HA ' ' A' ' 542' ' ' LEU . . . 176.27 152.71 9.86 Favored Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.893 -0.67 . . . . 0.44 111.973 179.744 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 546' ' ' LYS . . . . . . . . . . . . . 7.0 ttpm? -66.31 129.34 39.51 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.024 0.44 . . . . 2.07 111.0 -178.113 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 547' ' ' VAL . . . . . 0.625 HG21 HG23 ' A' ' 538' ' ' ILE . 69.0 t -86.35 116.24 28.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 115.744 -0.662 . . . . 0.2 110.897 179.631 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 548' ' ' THR . . . . . . . . . . . . . 23.5 p -92.83 -36.18 12.99 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.992 -0.549 . . . . 0.31 111.725 179.742 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 549' ' ' ASN . . . . . 0.517 ' HB2' ' CB ' ' A' ' 562' ' ' GLU . 88.7 m-20 -143.33 156.19 44.64 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.142 -0.481 . . . . 1.26 110.259 -178.25 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 550' ' ' TYR . . . . . 0.641 ' CG ' HD11 ' A' ' 538' ' ' ILE . 3.3 p90 -161.31 150.59 16.49 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 116.11 -0.496 . . . . 0.31 109.816 178.553 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 551' ' ' ILE . . . . . 0.453 ' HB ' ' HB2' ' A' ' 560' ' ' PHE . 48.0 mt -144.42 123.3 6.68 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 N-CA-C 108.261 -1.015 . . . . 0.22 108.261 -175.778 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 552' ' ' LEU . . . . . 0.665 HD11 ' HA ' ' A' ' 534' ' ' GLU . 30.4 mt -108.78 120.45 42.52 Favored 'General case' 0 C--N 1.315 -0.892 0 C-N-CA 119.72 -0.792 . . . . 0.43 110.314 -179.038 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 553' ' ' MET . . . . . . . . . . . . . 64.4 mtm -108.16 82.81 1.69 Allowed 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 108.545 -0.909 . . . . 1.03 108.545 -179.115 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 554' ' ' LYS . . . . . 0.537 ' HD2' ' HB2' ' A' ' 532' ' ' CYS . 11.7 mmtm -53.35 -27.9 26.07 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 114.367 -1.288 . . . . 1.03 112.122 176.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 555' ' ' SER . . . . . . . . . . . . . 65.3 p -69.59 -42.6 74.22 Favored 'General case' 0 N--CA 1.448 -0.526 0 CA-C-O 120.684 0.278 . . . . 0.51 111.518 -174.311 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 556' ' ' THR . . . . . 0.429 ' O ' ' HG3' ' A' ' 558' ' ' GLN . 40.7 p -99.23 5.63 46.61 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 112.535 0.568 . . . . 0.45 112.535 -177.419 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 557' ' ' ASN . . . . . . . . . . . . . 38.1 m-80 59.24 39.12 23.04 Favored 'General case' 0 N--CA 1.471 0.581 0 CA-C-O 121.778 0.799 . . . . 1.28 110.217 -177.411 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 558' ' ' GLN . . . . . 0.429 ' HG3' ' O ' ' A' ' 556' ' ' THR . 27.6 mt-30 -141.21 166.61 24.3 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.033 -0.985 . . . . 0.84 109.873 -175.118 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 559' ' ' ALA . . . . . 0.438 ' HB1' HD23 ' A' ' 552' ' ' LEU . . . -157.39 165.82 34.73 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.351 0.596 . . . . 0.16 111.87 -178.5 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 560' ' ' PHE . . . . . 0.453 ' HB2' ' HB ' ' A' ' 551' ' ' ILE . 90.2 m-85 -120.68 143.76 48.55 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 115.445 -0.798 . . . . 0.35 110.422 176.286 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 561' ' ' LEU . . . . . 0.617 ' O ' ' HB ' ' A' ' 522' ' ' VAL . 64.5 tp -134.52 118.13 16.96 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.052 -0.522 . . . . 0.2 109.913 179.18 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 562' ' ' GLU . . . . . 0.517 ' CB ' ' HB2' ' A' ' 549' ' ' ASN . 0.2 OUTLIER -102.74 136.52 42.42 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.804 -0.635 . . . . 2.09 110.02 179.345 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 563' ' ' MET . . . . . 0.623 ' SD ' ' HA ' ' A' ' 569' ' ' ALA . 31.7 mtt -122.32 163.93 18.82 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 115.525 -0.761 . . . . 0.39 109.839 -169.759 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 564' ' ' ALA . . . . . . . . . . . . . . . -68.23 -41.08 81.77 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.0 0.429 . . . . 0.5 111.368 -173.351 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 565' ' ' TYR . . . . . . . . . . . . . 97.5 m-85 -132.49 146.95 52.32 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.994 -0.548 . . . . 1.15 110.659 -179.009 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 566' ' ' THR . . . . . . . . . . . . . 14.0 t -58.36 -27.38 64.15 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.188 -0.914 . . . . 0.57 111.13 -179.708 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 567' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -59.68 -31.84 69.94 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.031 -0.531 . . . . 0.89 111.367 177.438 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 568' ' ' ALA . . . . . 0.647 ' O ' ' HG3' ' A' ' 572' ' ' MET . . . -73.23 -37.65 66.3 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 109.792 -0.448 . . . . 0.26 109.792 -179.251 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 569' ' ' ALA . . . . . 0.623 ' HA ' ' SD ' ' A' ' 563' ' ' MET . . . -64.06 -45.34 89.19 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.602 -0.727 . . . . 0.24 110.821 -177.333 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 570' ' ' GLN . . . . . 0.609 ' O ' ' HG2' ' A' ' 574' ' ' GLN . 12.2 pt20 -68.91 -38.31 79.51 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.747 -0.661 . . . . 1.24 110.307 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 571' ' ' ALA . . . . . . . . . . . . . . . -62.53 -43.63 98.33 Favored 'General case' 0 N--CA 1.454 -0.229 0 CA-C-N 116.251 -0.431 . . . . 0.31 111.239 -178.389 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 572' ' ' MET . . . . . 0.647 ' HG3' ' O ' ' A' ' 568' ' ' ALA . 36.1 mtt -65.79 -44.29 86.19 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.495 -0.321 . . . . 0.47 110.343 179.569 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 573' ' ' VAL . . . . . 0.618 ' O ' ' HG3' ' A' ' 577' ' ' GLN . 92.8 t -58.9 -46.77 91.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.515 -0.312 . . . . 0.34 110.233 179.244 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 574' ' ' GLN . . . . . 0.609 ' HG2' ' O ' ' A' ' 570' ' ' GLN . 28.8 mm-40 -61.33 -38.48 87.04 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.344 -0.389 . . . . 2.09 110.758 -179.745 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 575' ' ' TYR . . . . . . . . . . . . . 87.0 t80 -68.91 -52.77 25.87 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.967 -0.56 . . . . 0.48 110.869 -178.453 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 576' ' ' TYR . . . . . 0.553 ' HA ' ' O ' ' A' ' 579' ' ' LYS . 58.7 m-85 -71.86 -13.31 61.63 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 112.725 0.639 . . . . 0.36 112.725 -176.355 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 577' ' ' GLN . . . . . 0.618 ' HG3' ' O ' ' A' ' 573' ' ' VAL . 92.4 mt-30 -67.31 -42.7 83.22 Favored 'General case' 0 C--N 1.326 -0.44 0 C-N-CA 120.458 -0.497 . . . . 1.89 109.995 171.822 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 578' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -91.54 -38.63 12.39 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.125 -0.488 . . . . 2.14 111.229 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 579' ' ' LYS . . . . . 0.553 ' O ' ' HA ' ' A' ' 576' ' ' TYR . 29.9 mtpp -127.84 91.72 44.35 Favored Pre-proline 0 C--N 1.327 -0.379 0 N-CA-C 109.883 -0.414 . . . . 2.46 109.883 175.666 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 580' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.49 160.63 49.05 Favored 'Trans proline' 0 C--O 1.234 0.311 0 C-N-CA 122.717 2.278 . . . . 0.37 112.694 -177.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 581' ' ' ALA . . . . . 0.455 ' HB2' ' CE1' ' A' ' 576' ' ' TYR . . . -91.76 127.95 37.41 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 109.028 -0.73 . . . . 0.27 109.028 175.92 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 582' ' ' ILE . . . . . . . . . . . . . 54.8 mt -101.46 121.69 52.68 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.814 0 CA-C-O 120.971 0.415 . . . . 0.51 111.226 -173.862 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 583' ' ' ILE . . . . . 0.407 HG13 HD11 ' A' ' 588' ' ' LEU . 33.2 mm -126.77 116.61 45.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 115.644 -0.707 . . . . 0.51 109.1 176.034 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 584' ' ' ASN . . . . . . . . . . . . . 3.3 m-20 59.15 32.6 22.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.309 0.576 . . . . 1.1 110.246 -179.115 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 585' ' ' GLY . . . . . . . . . . . . . . . 78.91 5.95 88.74 Favored Glycine 0 N--CA 1.445 -0.723 0 CA-C-N 115.629 -0.714 . . . . 0.44 112.975 179.076 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 586' ' ' GLU . . . . . . . . . . . . . 27.1 mt-10 -108.21 127.3 53.71 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 122.533 -0.392 . . . . 1.79 110.47 178.623 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 587' ' ' LYS . . . . . . . . . . . . . 38.1 mmtm -71.42 123.52 22.54 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.598 -0.728 . . . . 1.67 110.615 179.326 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 588' ' ' LEU . . . . . 0.454 HD12 HD11 ' A' ' 540' ' ' LEU . 61.5 mt -79.29 138.27 37.68 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 120.878 0.37 . . . . 0.24 110.787 177.965 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 589' ' ' LEU . . . . . 0.404 ' HB3' ' SG ' ' A' ' 525' ' ' CYS . 49.7 tp -112.58 112.53 24.13 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.858 -0.61 . . . . 0.38 110.267 177.967 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 590' ' ' ILE . . . . . 0.45 HD12 ' CD2' ' A' ' 576' ' ' TYR . 17.3 mt -100.11 129.1 51.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 N-CA-C 109.811 -0.44 . . . . 0.26 109.811 175.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 591' ' ' ARG . . . . . . . . . . . . . 12.9 mmm180 -147.02 159.03 44.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.37 -0.377 . . . . 2.62 110.655 -175.792 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 592' ' ' MET . . . . . . . . . . . . . 63.2 mtt -82.34 128.41 34.19 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 109.213 -0.662 . . . . 0.34 109.213 175.217 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 593' ' ' SER . . . . . . . . . . . . . 46.7 t -69.63 135.74 50.31 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.412 0.625 . . . . 1.37 111.365 -176.472 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 594' ' ' THR . . . . . . . . . . . . . 19.0 p -89.95 -12.66 38.12 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 114.814 -1.085 . . . . 0.38 111.567 -178.832 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 595' ' ' ARG . . . . . . . . . . . . . 95.3 mtt180 -103.43 -30.77 10.36 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 112.626 0.602 . . . . 2.75 112.626 -172.031 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 596' ' ' TYR . . . . . . . . . . . . . 86.2 m-85 -122.89 151.05 42.12 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.194 0.521 . . . . 0.65 111.967 -174.733 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 597' ' ' LYS . . . . . 0.568 ' N ' ' HD2' ' A' ' 597' ' ' LYS . 6.1 mptt -108.05 -24.13 11.71 Favored 'General case' 0 C--O 1.219 -0.514 0 CA-C-N 115.373 -0.83 . . . . 2.18 111.534 -177.366 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 598' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -141.9 150.84 42.04 Favored 'General case' 0 C--N 1.326 -0.444 0 C-N-CA 120.513 -0.475 . . . . 0.95 111.423 -177.024 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 599' ' ' LEU . . . . . 0.694 HD21 HG13 ' A' ' 521' ' ' VAL . 84.9 mt -108.89 125.69 52.27 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.247 -0.888 . . . . 0.45 110.852 176.597 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 600' ' ' GLN . . . . . . . . . . . . . 30.2 tt0 -114.58 125.29 53.61 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.959 -0.564 . . . . 1.52 109.933 177.624 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 601' ' ' LEU . . . . . . . . . . . . . 50.9 mt -75.37 98.61 3.9 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.147 0.498 . . . . 0.46 111.341 -177.843 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 602' ' ' LYS . . . . . . . . . . . . . 95.0 mttt -79.84 -23.72 41.81 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.605 0.717 . . . . 1.73 109.251 173.364 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 603' ' ' LYS . . . . . . . . . . . . . 34.1 mmtp . . . . . 0 C--N 1.324 -0.521 0 CA-C-N 114.95 -1.023 . . . . 1.69 109.123 176.379 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 607' ' ' ASN . . . . . . . . . . . . . 35.2 t30 . . . . . 0 C--O 1.232 0.165 0 CA-C-O 121.121 0.486 . . . . 1.33 111.053 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 608' ' ' VAL . . . . . 0.552 HG11 ' HB ' ' A' ' 547' ' ' VAL . 93.5 t -77.42 -26.76 15.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 115.688 -0.687 . . . . 0.3 111.406 -176.929 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 609' ' ' ALA . . . . . . . . . . . . . . . -62.83 -35.19 79.11 Favored 'General case' 0 C--O 1.239 0.52 0 CA-C-O 121.586 0.708 . . . . 0.44 110.761 176.923 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 610' ' ' ALA . . . . . . . . . . . . . . . -64.48 -27.56 69.06 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.515 -0.766 . . . . 0.4 110.028 177.229 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 611' ' ' ILE . . . . . 0.481 ' CD1' HD12 ' A' ' 538' ' ' ILE . 71.4 mt -70.63 -30.29 41.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 115.674 -0.694 . . . . 0.25 109.655 178.944 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 612' ' ' ILE . . . . . 0.506 ' CG1' HD13 ' A' ' 542' ' ' LEU . 60.6 mt -60.84 -43.45 95.57 Favored 'Isoleucine or valine' 0 C--O 1.234 0.251 0 N-CA-C 109.636 -0.505 . . . . 0.31 109.636 172.379 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 613' ' ' GLN . . . . . . . . . . . . . 80.7 mm-40 -63.21 -33.26 75.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.696 -0.684 . . . . 2.31 110.357 176.413 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 614' ' ' ASP . . . . . . . . . . . . . 21.1 m-20 -65.64 -41.87 92.11 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.788 -0.642 . . . . 1.95 110.817 177.408 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 615' ' ' ILE . . . . . 0.484 HD11 ' HA ' ' A' ' 539' ' ' ASN . 85.0 mt -63.34 -46.5 95.34 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-O 120.989 0.424 . . . . 0.35 110.563 178.667 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 616' ' ' HIS . . . . . . . . . . . . . 13.6 m-70 -63.29 -33.21 75.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.812 -0.631 . . . . 1.26 110.83 178.183 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 617' ' ' SER . . . . . . . . . . . . . 69.0 m . . . . . 0 N--CA 1.451 -0.38 0 CA-C-N 116.304 -0.407 . . . . 1.18 110.707 178.53 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 520' ' ' ARG . . . . . . . . . . . . . 32.3 mtm-85 . . . . . 0 N--CA 1.449 -0.49 0 CA-C-O 120.773 0.321 . . . . 2.22 110.323 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 521' ' ' VAL . . . . . 0.697 ' HB ' ' OG ' ' A' ' 593' ' ' SER . 62.2 t -118.41 124.55 73.3 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.664 0 CA-C-N 116.076 -0.511 . . . . 0.32 110.404 170.185 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 522' ' ' VAL . . . . . 0.599 ' HB ' ' O ' ' A' ' 561' ' ' LEU . 23.2 t -120.83 121.7 65.88 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.777 0 N-CA-C 107.538 -1.282 . . . . 0.22 107.538 170.938 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 523' ' ' HIS . . . . . . . . . . . . . 51.4 t-80 -105.89 133.69 50.21 Favored 'General case' 0 C--N 1.323 -0.584 0 O-C-N 121.791 -0.568 . . . . 0.44 110.87 -172.904 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 524' ' ' ILE . . . . . 0.451 HG23 HG12 ' A' ' 590' ' ' ILE . 32.6 mt -111.16 140.04 32.29 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.754 0 N-CA-C 108.738 -0.838 . . . . 0.19 108.738 177.906 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 525' ' ' CYS . . . . . 0.455 ' SG ' ' HG2' ' A' ' 558' ' ' GLN . 38.1 t -134.25 161.24 35.48 Favored 'General case' 0 C--N 1.314 -0.948 0 C-N-CA 120.811 -0.356 . . . . 1.17 111.185 -174.768 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 526' ' ' ASN . . . . . 0.404 ' HB2' ' O ' ' A' ' 525' ' ' CYS . 80.2 m-20 84.64 28.9 0.06 Allowed 'General case' 0 N--CA 1.468 0.454 0 O-C-N 124.663 1.227 . . . . 0.26 111.228 172.042 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 527' ' ' LEU . . . . . 0.449 ' O ' ' HB3' ' A' ' 557' ' ' ASN . 83.9 mt -81.66 125.44 78.22 Favored Pre-proline 0 C--N 1.324 -0.537 0 N-CA-C 108.638 -0.875 . . . . 0.25 108.638 178.461 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 528' ' ' PRO . . . . . . . . . . . . . 9.5 Cg_exo -69.05 135.42 32.11 Favored 'Trans proline' 0 N--CA 1.458 -0.594 0 C-N-CA 121.4 1.4 . . . . 0.38 111.547 -178.717 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 529' ' ' GLU . . . . . 0.431 ' HB2' ' OD1' ' A' ' 557' ' ' ASN . 33.2 tt0 -65.37 136.18 56.21 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 109.378 -0.601 . . . . 1.6 109.378 176.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 530' ' ' GLY . . . . . . . . . . . . . . . 84.71 4.47 87.4 Favored Glycine 0 N--CA 1.446 -0.651 0 C-N-CA 119.919 -1.134 . . . . 0.48 110.933 -172.796 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 531' ' ' SER . . . . . . . . . . . . . 19.5 m -142.08 4.07 1.62 Allowed 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.425 0.631 . . . . 1.08 109.684 -175.814 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 532' ' ' CYS . . . . . . . . . . . . . 85.3 m -89.19 86.9 6.97 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.683 -0.689 . . . . 0.25 109.466 -178.577 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 533' ' ' THR . . . . . 0.47 ' O ' HG23 ' A' ' 537' ' ' VAL . 26.8 p -107.67 152.96 23.61 Favored 'General case' 0 C--N 1.319 -0.757 0 N-CA-C 108.875 -0.787 . . . . 0.35 108.875 179.892 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 534' ' ' GLU . . . . . 0.681 ' HA ' HD11 ' A' ' 552' ' ' LEU . 12.2 mp0 -64.61 -32.82 74.65 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-O 121.228 0.537 . . . . 1.64 109.73 178.926 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 535' ' ' ASN . . . . . . . . . . . . . 10.6 m120 -62.92 -48.1 80.41 Favored 'General case' 0 C--O 1.218 -0.575 0 CA-C-N 115.275 -0.875 . . . . 1.82 111.657 -179.508 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 536' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -67.2 -45.94 75.38 Favored 'General case' 0 N--CA 1.47 0.57 0 CA-C-O 121.744 0.783 . . . . 0.61 110.89 -172.72 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 537' ' ' VAL . . . . . 0.47 HG23 ' O ' ' A' ' 533' ' ' THR . 27.9 t -62.23 -49.03 85.67 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.753 0 CA-C-N 114.459 -1.246 . . . . 0.15 110.428 -176.467 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 538' ' ' ILE . . . . . 0.645 HD11 ' CG ' ' A' ' 550' ' ' TYR . 58.7 mt -68.92 -34.36 63.87 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.745 0 CA-C-N 115.607 -0.724 . . . . 0.23 111.56 177.219 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 539' ' ' ASN . . . . . 0.574 ' HA ' HD11 ' A' ' 615' ' ' ILE . 95.5 m-20 -59.12 -25.45 63.86 Favored 'General case' 0 CA--C 1.516 -0.346 0 C-N-CA 120.958 -0.297 . . . . 0.25 110.486 176.91 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 540' ' ' LEU . . . . . 0.554 HD11 HD12 ' A' ' 588' ' ' LEU . 95.3 mt -75.13 -41.5 58.26 Favored 'General case' 0 C--N 1.322 -0.616 0 C-N-CA 120.645 -0.422 . . . . 0.27 110.061 172.824 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 541' ' ' GLY . . . . . 0.52 ' HA3' HD21 ' A' ' 561' ' ' LEU . . . -66.48 -51.51 41.95 Favored Glycine 0 CA--C 1.525 0.691 0 N-CA-C 115.62 1.008 . . . . 0.19 115.62 -179.349 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 542' ' ' LEU . . . . . 0.516 ' HA ' ' O ' ' A' ' 545' ' ' GLY . 75.6 mt -59.57 -43.17 95.24 Favored Pre-proline 0 C--N 1.319 -0.725 0 N-CA-C 115.303 1.594 . . . . 0.2 115.303 -168.243 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 543' ' ' PRO . . . . . 0.471 ' HG3' HD13 ' A' ' 615' ' ' ILE . 50.7 Cg_exo -60.63 -22.49 72.87 Favored 'Trans proline' 0 CA--C 1.534 0.477 0 C-N-CA 121.706 1.604 . . . . 0.23 113.638 -179.377 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 544' ' ' PHE . . . . . 0.528 ' HE2' ' HH ' ' A' ' 576' ' ' TYR . 96.7 m-85 -103.4 -15.89 15.77 Favored 'General case' 0 C--O 1.233 0.213 0 N-CA-C 112.146 0.425 . . . . 0.33 112.146 178.361 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 545' ' ' GLY . . . . . 0.516 ' O ' ' HA ' ' A' ' 542' ' ' LEU . . . -173.03 -179.5 43.76 Favored Glycine 0 C--O 1.224 -0.506 0 C-N-CA 120.353 -0.927 . . . . 0.44 112.394 -176.05 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 546' ' ' LYS . . . . . . . . . . . . . 26.6 ttpp -96.05 122.88 39.35 Favored 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 109.889 -0.412 . . . . 2.07 109.889 -177.297 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 547' ' ' VAL . . . . . 0.609 ' HB ' HG11 ' A' ' 608' ' ' VAL . 71.6 t -89.96 115.46 29.51 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 CA-C-N 116.491 -0.322 . . . . 0.2 110.78 179.348 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 548' ' ' THR . . . . . . . . . . . . . 21.1 p -95.58 -37.68 10.74 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 112.182 0.438 . . . . 0.31 112.182 178.283 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 549' ' ' ASN . . . . . 0.425 ' HB2' ' HB3' ' A' ' 562' ' ' GLU . 4.1 m-20 -141.43 158.71 43.51 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.962 -0.563 . . . . 1.26 109.785 -178.019 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 550' ' ' TYR . . . . . 0.645 ' CG ' HD11 ' A' ' 538' ' ' ILE . 3.5 p90 -161.83 152.46 17.59 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 116.02 -0.536 . . . . 0.31 109.648 -179.377 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 551' ' ' ILE . . . . . 0.462 ' HB ' ' HB2' ' A' ' 560' ' ' PHE . 41.0 mt -144.16 126.59 11.06 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 N-CA-C 107.684 -1.228 . . . . 0.22 107.684 -179.679 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 552' ' ' LEU . . . . . 0.681 HD11 ' HA ' ' A' ' 534' ' ' GLU . 21.2 mt -106.68 129.06 54.64 Favored 'General case' 0 C--N 1.309 -1.186 0 C-N-CA 118.967 -1.093 . . . . 0.43 110.286 -179.623 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 553' ' ' MET . . . . . . . . . . . . . 32.1 mtp -104.4 80.14 1.66 Allowed 'General case' 0 C--N 1.32 -0.686 0 N-CA-C 108.317 -0.994 . . . . 1.03 108.317 -178.446 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 554' ' ' LYS . . . . . . . . . . . . . 24.2 mmtp -54.27 -28.68 43.43 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 114.939 -1.028 . . . . 1.03 112.866 176.931 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 555' ' ' SER . . . . . . . . . . . . . 62.7 p -69.59 -44.62 70.41 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 111.964 0.357 . . . . 0.51 111.964 -175.183 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 556' ' ' THR . . . . . . . . . . . . . 45.3 p -102.54 7.9 40.0 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 112.548 0.573 . . . . 0.45 112.548 -174.294 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 557' ' ' ASN . . . . . 0.449 ' HB3' ' O ' ' A' ' 527' ' ' LEU . 87.0 m-20 58.96 39.84 23.15 Favored 'General case' 0 N--CA 1.467 0.419 0 CA-C-O 121.721 0.772 . . . . 1.28 110.432 -177.311 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 558' ' ' GLN . . . . . 0.455 ' HG2' ' SG ' ' A' ' 525' ' ' CYS . 79.2 mt-30 -137.99 169.56 17.57 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 114.924 -1.035 . . . . 0.84 109.567 -176.498 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 559' ' ' ALA . . . . . . . . . . . . . . . -158.62 166.75 31.32 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.49 0.662 . . . . 0.16 112.751 179.339 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 560' ' ' PHE . . . . . 0.462 ' HB2' ' HB ' ' A' ' 551' ' ' ILE . 94.9 m-85 -118.47 142.62 47.39 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.202 -0.908 . . . . 0.35 110.223 175.599 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 561' ' ' LEU . . . . . 0.599 ' O ' ' HB ' ' A' ' 522' ' ' VAL . 60.5 tp -134.51 119.39 18.42 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.858 -0.61 . . . . 0.2 109.801 179.746 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 562' ' ' GLU . . . . . 0.452 ' HB2' HD12 ' A' ' 599' ' ' LEU . 30.6 tt0 -99.82 122.93 43.51 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 121.427 0.632 . . . . 2.09 110.281 178.801 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 563' ' ' MET . . . . . 0.637 ' SD ' ' HA ' ' A' ' 569' ' ' ALA . 31.1 mtt -107.96 162.27 14.18 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-N 115.072 -0.967 . . . . 0.39 109.235 -178.674 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 564' ' ' ALA . . . . . . . . . . . . . . . -60.35 -44.98 95.05 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 117.999 0.363 . . . . 0.5 111.795 -172.898 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 565' ' ' TYR . . . . . . . . . . . . . 77.3 m-85 -138.37 162.94 33.13 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.313 -0.403 . . . . 1.15 111.524 -175.953 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 566' ' ' THR . . . . . . . . . . . . . 13.4 t -60.97 -28.17 68.8 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.729 -0.669 . . . . 0.57 110.612 -179.512 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 567' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -61.89 -32.99 73.41 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.812 -0.631 . . . . 0.89 111.22 -179.749 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 568' ' ' ALA . . . . . 0.67 ' O ' ' HG3' ' A' ' 572' ' ' MET . . . -73.66 -41.73 62.31 Favored 'General case' 0 N--CA 1.45 -0.448 0 N-CA-C 109.495 -0.558 . . . . 0.26 109.495 179.412 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 569' ' ' ALA . . . . . 0.637 ' HA ' ' SD ' ' A' ' 563' ' ' MET . . . -65.1 -45.13 86.43 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.318 -0.856 . . . . 0.24 111.378 -176.199 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 570' ' ' GLN . . . . . 0.411 ' O ' ' HG3' ' A' ' 574' ' ' GLN . 20.5 pt20 -68.01 -37.07 80.99 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.307 -0.406 . . . . 1.24 110.382 -178.363 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 571' ' ' ALA . . . . . . . . . . . . . . . -62.3 -44.93 95.39 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.203 -0.453 . . . . 0.31 110.802 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 572' ' ' MET . . . . . 0.67 ' HG3' ' O ' ' A' ' 568' ' ' ALA . 28.0 mtt -68.99 -40.66 78.64 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.07 -0.514 . . . . 0.47 110.537 -178.48 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 573' ' ' VAL . . . . . 0.545 HG23 ' O ' ' A' ' 569' ' ' ALA . 91.4 t -59.77 -46.46 93.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.902 0.382 . . . . 0.34 110.079 177.302 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 574' ' ' GLN . . . . . 0.411 ' HG3' ' O ' ' A' ' 570' ' ' GLN . 77.0 mt-30 -61.19 -38.37 86.28 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.193 -0.458 . . . . 2.09 110.859 178.888 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 575' ' ' TYR . . . . . . . . . . . . . 71.6 t80 -70.5 -53.96 14.16 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.086 -0.506 . . . . 0.48 110.993 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 576' ' ' TYR . . . . . 0.528 ' HH ' ' HE2' ' A' ' 544' ' ' PHE . 80.0 m-85 -74.75 -14.17 60.68 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 113.246 0.832 . . . . 0.36 113.246 -172.774 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 577' ' ' GLN . . . . . 0.476 ' HG3' ' O ' ' A' ' 573' ' ' VAL . 82.7 mt-30 -74.36 -40.61 62.02 Favored 'General case' 0 C--N 1.323 -0.568 0 C-N-CA 120.077 -0.649 . . . . 1.89 109.889 173.326 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 578' ' ' GLU . . . . . . . . . . . . . 8.3 mm-40 -86.39 -37.55 18.28 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.147 -0.479 . . . . 2.14 110.949 178.872 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 579' ' ' LYS . . . . . 0.461 ' O ' ' HA ' ' A' ' 576' ' ' TYR . 9.5 mtpm? -128.55 87.1 55.95 Favored Pre-proline 0 C--N 1.326 -0.445 0 N-CA-C 109.955 -0.387 . . . . 2.46 109.955 175.483 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 580' ' ' PRO . . . . . . . . . . . . . 32.8 Cg_endo -64.09 160.2 39.19 Favored 'Trans proline' 0 C--O 1.233 0.273 0 C-N-CA 122.638 2.225 . . . . 0.37 112.243 -179.503 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 581' ' ' ALA . . . . . 0.463 ' HB2' ' CE1' ' A' ' 576' ' ' TYR . . . -91.4 134.69 34.41 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.194 -0.457 . . . . 0.27 110.006 -179.428 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 582' ' ' ILE . . . . . . . . . . . . . 47.0 mt -103.04 118.59 50.22 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.799 0 CA-C-O 120.842 0.353 . . . . 0.51 111.219 -175.8 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 583' ' ' ILE . . . . . 0.503 ' CG1' HD11 ' A' ' 588' ' ' LEU . 36.2 mm -125.91 112.04 29.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 N-CA-C 109.534 -0.543 . . . . 0.51 109.534 173.413 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 584' ' ' ASN . . . . . . . . . . . . . 94.8 m-20 50.58 42.6 27.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.868 0.842 . . . . 1.1 111.119 -179.885 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 585' ' ' GLY . . . . . . . . . . . . . . . 83.4 1.48 90.28 Favored Glycine 0 N--CA 1.445 -0.752 0 CA-C-N 114.628 -1.169 . . . . 0.44 114.392 175.941 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 586' ' ' GLU . . . . . . . . . . . . . 30.6 mm-40 -100.83 125.61 47.36 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 118.041 0.921 . . . . 1.79 111.134 177.395 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 587' ' ' LYS . . . . . . . . . . . . . 44.7 mmtm -74.55 115.21 13.83 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-N 115.538 -0.755 . . . . 1.67 110.175 171.955 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 588' ' ' LEU . . . . . 0.554 HD12 HD11 ' A' ' 540' ' ' LEU . 54.8 mt -83.58 141.2 31.75 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 120.812 0.339 . . . . 0.24 111.156 -178.242 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 589' ' ' LEU . . . . . . . . . . . . . 58.1 tp -112.87 112.08 23.31 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.833 -0.622 . . . . 0.38 110.901 -179.149 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 590' ' ' ILE . . . . . 0.459 HD12 ' CD2' ' A' ' 576' ' ' TYR . 17.7 mt -103.07 120.94 53.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 N-CA-C 110.015 -0.365 . . . . 0.26 110.015 175.459 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 591' ' ' ARG . . . . . . . . . . . . . 74.6 mtp180 -146.91 165.55 29.43 Favored 'General case' 0 N--CA 1.462 0.151 0 CA-C-O 120.895 0.378 . . . . 2.62 110.413 -176.965 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 592' ' ' MET . . . . . . . . . . . . . 53.2 mtt -82.34 151.14 26.83 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.228 -0.442 . . . . 0.34 110.699 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 593' ' ' SER . . . . . 0.697 ' OG ' ' HB ' ' A' ' 521' ' ' VAL . 58.3 p -83.52 129.73 34.98 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.856 -0.611 . . . . 1.37 111.737 -176.696 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 594' ' ' THR . . . . . . . . . . . . . 18.6 p -91.64 -17.83 24.93 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.999 -0.546 . . . . 0.38 111.875 175.388 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 595' ' ' ARG . . . . . 0.408 HH11 ' HD3' ' A' ' 595' ' ' ARG . 44.7 mtp180 -102.99 -29.99 11.06 Favored 'General case' 0 CA--C 1.533 0.298 0 N-CA-C 112.921 0.711 . . . . 2.75 112.921 -171.42 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 596' ' ' TYR . . . . . . . . . . . . . 30.3 m-85 -125.26 145.6 49.92 Favored 'General case' 0 N--CA 1.468 0.435 0 N-CA-C 112.256 0.465 . . . . 0.65 112.256 -176.662 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 597' ' ' LYS . . . . . . . . . . . . . 37.1 mmtm -109.02 -11.27 14.98 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.711 -0.677 . . . . 2.18 112.456 -179.676 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 598' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -142.26 150.26 40.66 Favored 'General case' 0 C--N 1.324 -0.512 0 C-N-CA 120.237 -0.585 . . . . 0.95 111.396 -174.093 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 599' ' ' LEU . . . . . 0.617 HD21 HG13 ' A' ' 521' ' ' VAL . 58.0 mt -115.01 121.52 43.38 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.168 -0.924 . . . . 0.45 110.625 176.549 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 600' ' ' GLN . . . . . . . . . . . . . 29.4 tt0 -111.96 123.34 50.04 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.702 -0.681 . . . . 1.52 109.713 178.945 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 601' ' ' LEU . . . . . . . . . . . . . 93.7 mt -76.93 92.58 3.68 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.627 -0.261 . . . . 0.46 111.416 -176.969 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 602' ' ' LYS . . . . . . . . . . . . . 67.2 mttm -66.18 -32.43 73.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.338 0.59 . . . . 1.73 109.502 172.762 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 603' ' ' LYS . . . . . . . . . . . . . 74.6 mmtt . . . . . 0 C--N 1.324 -0.509 0 CA-C-N 115.289 -0.869 . . . . 1.69 109.283 179.557 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 607' ' ' ASN . . . . . . . . . . . . . 25.8 t30 . . . . . 0 C--O 1.234 0.286 0 CA-C-O 120.966 0.412 . . . . 1.33 110.303 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 608' ' ' VAL . . . . . 0.609 HG11 ' HB ' ' A' ' 547' ' ' VAL . 69.3 t -86.31 -25.87 6.33 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-N 115.809 -0.632 . . . . 0.3 111.069 -176.132 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 609' ' ' ALA . . . . . . . . . . . . . . . -59.53 -33.68 71.69 Favored 'General case' 0 C--O 1.237 0.416 0 CA-C-O 121.371 0.605 . . . . 0.44 110.478 175.226 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 610' ' ' ALA . . . . . . . . . . . . . . . -65.39 -30.32 71.13 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.778 -0.646 . . . . 0.4 110.13 176.631 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 611' ' ' ILE . . . . . 0.454 ' CD1' HD12 ' A' ' 538' ' ' ILE . 76.8 mt -70.77 -29.49 38.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 115.65 -0.704 . . . . 0.25 109.801 179.416 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 612' ' ' ILE . . . . . 0.477 ' CG1' HD13 ' A' ' 542' ' ' LEU . 64.1 mt -61.02 -40.67 86.39 Favored 'Isoleucine or valine' 0 C--O 1.235 0.291 0 CA-C-O 121.279 0.561 . . . . 0.31 109.611 171.316 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 613' ' ' GLN . . . . . . . . . . . . . 91.1 mt-30 -64.08 -30.19 71.28 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.392 -0.822 . . . . 2.31 110.483 177.262 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 614' ' ' ASP . . . . . 0.453 ' HB2' ' O ' ' A' ' 611' ' ' ILE . 2.5 m-20 -64.86 -44.86 88.37 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-N 115.936 -0.575 . . . . 1.95 110.161 177.253 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 615' ' ' ILE . . . . . 0.574 HD11 ' HA ' ' A' ' 539' ' ' ASN . 81.1 mt -65.05 -43.13 95.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 115.899 -0.591 . . . . 0.35 110.323 178.538 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 616' ' ' HIS . . . . . . . . . . . . . 51.5 m170 -64.08 -37.82 88.82 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.558 -0.746 . . . . 1.26 111.392 179.805 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 617' ' ' SER . . . . . . . . . . . . . 26.1 m . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.51 -0.313 . . . . 1.18 110.498 176.424 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 520' ' ' ARG . . . . . . . . . . . . . 42.8 mtm-85 . . . . . 0 CA--C 1.515 -0.373 0 N-CA-C 109.6 -0.518 . . . . 2.22 109.6 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 521' ' ' VAL . . . . . 0.712 HG13 HD21 ' A' ' 599' ' ' LEU . 56.8 t -117.07 121.19 67.21 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.703 0 CA-C-O 120.99 0.424 . . . . 0.32 111.233 174.406 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 522' ' ' VAL . . . . . 0.501 ' HB ' ' O ' ' A' ' 561' ' ' LEU . 25.3 t -121.04 121.57 65.35 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.815 0 N-CA-C 107.942 -1.133 . . . . 0.22 107.942 175.657 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 523' ' ' HIS . . . . . 0.422 ' HB2' ' OG ' ' A' ' 593' ' ' SER . 58.9 t-80 -106.18 135.28 47.93 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.01 0.433 . . . . 0.44 110.056 -175.221 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 524' ' ' ILE . . . . . 0.46 HD11 HD22 ' A' ' 561' ' ' LEU . 33.3 mt -111.18 138.93 37.47 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.929 0 N-CA-C 108.45 -0.944 . . . . 0.19 108.45 177.713 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 525' ' ' CYS . . . . . 0.421 ' O ' ' HB2' ' A' ' 526' ' ' ASN . 0.0 OUTLIER -132.24 157.9 43.17 Favored 'General case' 0 C--N 1.318 -0.79 0 C-N-CA 120.873 -0.331 . . . . 1.17 111.033 -171.294 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 526' ' ' ASN . . . . . 0.421 ' HB2' ' O ' ' A' ' 525' ' ' CYS . 83.3 m-20 82.6 30.18 0.1 Allowed 'General case' 0 N--CA 1.469 0.495 0 O-C-N 124.447 1.092 . . . . 0.26 110.824 172.868 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 527' ' ' LEU . . . . . 0.408 ' HB3' ' SG ' ' A' ' 532' ' ' CYS . 81.8 mt -85.73 123.69 72.06 Favored Pre-proline 0 C--N 1.319 -0.723 0 N-CA-C 108.386 -0.968 . . . . 0.25 108.386 176.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 528' ' ' PRO . . . . . 0.406 ' HD3' ' HA ' ' A' ' 527' ' ' LEU . 7.6 Cg_exo -71.54 131.81 19.42 Favored 'Trans proline' 0 N--CA 1.456 -0.689 0 C-N-CA 121.039 1.159 . . . . 0.38 111.259 -178.425 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 529' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -65.85 138.51 57.93 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 109.524 -0.547 . . . . 1.6 109.524 177.794 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 530' ' ' GLY . . . . . . . . . . . . . . . 87.66 3.13 81.12 Favored Glycine 0 N--CA 1.443 -0.835 0 C-N-CA 120.185 -1.007 . . . . 0.48 110.596 -173.435 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 531' ' ' SER . . . . . . . . . . . . . 55.5 m -147.5 8.19 0.89 Allowed 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.186 -0.507 . . . . 1.08 109.817 -178.596 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 532' ' ' CYS . . . . . 0.488 ' HB2' ' HD2' ' A' ' 554' ' ' LYS . 70.0 m -89.88 86.11 6.55 Favored 'General case' 0 CA--C 1.516 -0.354 0 N-CA-C 108.764 -0.828 . . . . 0.25 108.764 179.013 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 533' ' ' THR . . . . . 0.419 ' O ' HG23 ' A' ' 537' ' ' VAL . 34.0 p -96.83 152.22 18.9 Favored 'General case' 0 C--N 1.317 -0.807 0 N-CA-C 108.889 -0.782 . . . . 0.35 108.889 -178.585 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 534' ' ' GLU . . . . . 0.736 ' HA ' HD11 ' A' ' 552' ' ' LEU . 15.5 mp0 -64.98 -33.8 76.91 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-O 121.602 0.715 . . . . 1.64 109.106 176.445 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 535' ' ' ASN . . . . . . . . . . . . . 61.7 t30 -65.46 -48.14 73.71 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 114.561 -1.199 . . . . 1.82 111.277 -176.364 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 536' ' ' ASP . . . . . . . . . . . . . 39.5 m-20 -69.35 -45.66 68.89 Favored 'General case' 0 N--CA 1.476 0.85 0 CA-C-O 121.293 0.568 . . . . 0.61 111.475 -172.808 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 537' ' ' VAL . . . . . 0.419 HG23 ' O ' ' A' ' 533' ' ' THR . 44.3 t -59.63 -48.48 87.25 Favored 'Isoleucine or valine' 0 C--O 1.243 0.714 0 CA-C-N 114.862 -1.063 . . . . 0.15 110.024 -178.087 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 538' ' ' ILE . . . . . 0.747 HD11 ' CG ' ' A' ' 550' ' ' TYR . 33.0 mt -69.04 -32.54 54.73 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.894 0 CA-C-N 115.32 -0.855 . . . . 0.23 111.611 176.139 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 539' ' ' ASN . . . . . 0.455 ' HA ' HD11 ' A' ' 615' ' ' ILE . 95.2 m-20 -57.94 -25.59 61.13 Favored 'General case' 0 CA--C 1.516 -0.344 0 N-CA-C 109.804 -0.443 . . . . 0.25 109.804 175.398 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 540' ' ' LEU . . . . . 0.432 HD11 HD12 ' A' ' 588' ' ' LEU . 89.7 mt -75.02 -42.59 57.02 Favored 'General case' 0 N--CA 1.45 -0.455 0 N-CA-C 109.874 -0.417 . . . . 0.27 109.874 173.604 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 541' ' ' GLY . . . . . 0.606 ' HA2' ' SD ' ' A' ' 572' ' ' MET . . . -69.25 -52.37 22.85 Favored Glycine 0 CA--C 1.525 0.712 0 N-CA-C 115.66 1.024 . . . . 0.19 115.66 -178.366 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 542' ' ' LEU . . . . . 0.501 ' HA ' ' O ' ' A' ' 545' ' ' GLY . 36.3 mt -55.83 -46.04 99.8 Favored Pre-proline 0 C--N 1.321 -0.65 0 N-CA-C 114.855 1.428 . . . . 0.2 114.855 -168.833 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 543' ' ' PRO . . . . . 0.45 ' HG3' HD13 ' A' ' 615' ' ' ILE . 42.4 Cg_exo -61.14 -22.07 73.56 Favored 'Trans proline' 0 C--N 1.349 0.586 0 C-N-CA 121.94 1.76 . . . . 0.23 113.336 -177.551 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 544' ' ' PHE . . . . . 0.475 ' HB2' ' HE2' ' A' ' 572' ' ' MET . 96.0 m-85 -99.95 -16.15 18.07 Favored 'General case' 0 C--N 1.33 -0.255 0 O-C-N 122.041 -0.412 . . . . 0.33 111.283 176.765 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 545' ' ' GLY . . . . . 0.501 ' O ' ' HA ' ' A' ' 542' ' ' LEU . . . 175.38 157.7 17.38 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.424 -0.894 . . . . 0.44 112.546 -178.869 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 546' ' ' LYS . . . . . . . . . . . . . 56.0 tptt -65.73 129.79 41.0 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.23 0.538 . . . . 2.07 111.665 -178.44 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 547' ' ' VAL . . . . . 0.591 HG21 HG23 ' A' ' 538' ' ' ILE . 81.8 t -94.53 116.0 34.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-N 115.254 -0.884 . . . . 0.2 110.115 176.24 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 548' ' ' THR . . . . . . . . . . . . . 22.7 p -93.65 -36.34 12.4 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.471 -0.331 . . . . 0.31 111.728 179.236 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 549' ' ' ASN . . . . . . . . . . . . . 88.4 m-20 -143.5 162.32 36.14 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.083 -0.508 . . . . 1.26 110.636 177.893 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 550' ' ' TYR . . . . . 0.747 ' CG ' HD11 ' A' ' 538' ' ' ILE . 4.6 p90 -162.31 154.15 18.65 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.762 -0.654 . . . . 0.31 109.651 -179.933 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 551' ' ' ILE . . . . . 0.501 ' HB ' ' HB2' ' A' ' 560' ' ' PHE . 41.2 mt -140.54 123.79 16.85 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.728 0 N-CA-C 108.144 -1.058 . . . . 0.22 108.144 -178.686 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 552' ' ' LEU . . . . . 0.736 HD11 ' HA ' ' A' ' 534' ' ' GLU . 20.3 mt -107.63 124.86 50.6 Favored 'General case' 0 C--N 1.311 -1.088 0 C-N-CA 119.298 -0.961 . . . . 0.43 110.272 -179.348 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 553' ' ' MET . . . . . 0.428 ' SD ' ' HE2' ' A' ' 560' ' ' PHE . 27.2 mtp -107.26 80.94 1.47 Allowed 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 108.326 -0.99 . . . . 1.03 108.326 -177.758 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 554' ' ' LYS . . . . . 0.488 ' HD2' ' HB2' ' A' ' 532' ' ' CYS . 22.8 mmtp -54.0 -29.11 41.93 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 114.862 -1.063 . . . . 1.03 112.498 176.706 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 555' ' ' SER . . . . . . . . . . . . . 63.6 p -69.03 -43.0 75.59 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 111.911 0.337 . . . . 0.51 111.911 -174.259 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 556' ' ' THR . . . . . 0.439 ' O ' ' HG3' ' A' ' 558' ' ' GLN . 41.2 p -102.82 7.93 39.39 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 112.81 0.67 . . . . 0.45 112.81 -174.695 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 557' ' ' ASN . . . . . . . . . . . . . 43.7 m-80 59.14 39.64 22.77 Favored 'General case' 0 N--CA 1.47 0.542 0 CA-C-O 121.595 0.712 . . . . 1.28 110.155 -176.093 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 558' ' ' GLN . . . . . 0.439 ' HG3' ' O ' ' A' ' 556' ' ' THR . 27.4 mt-30 -138.2 167.28 22.16 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.21 -0.905 . . . . 0.84 109.758 -175.238 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 559' ' ' ALA . . . . . 0.42 ' HB1' HD23 ' A' ' 552' ' ' LEU . . . -159.11 166.25 32.01 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.242 0.544 . . . . 0.16 112.102 177.859 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 560' ' ' PHE . . . . . 0.501 ' HB2' ' HB ' ' A' ' 551' ' ' ILE . 89.1 m-85 -120.84 147.47 45.34 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.452 -0.795 . . . . 0.35 110.439 174.423 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 561' ' ' LEU . . . . . 0.553 HD21 ' HA3' ' A' ' 541' ' ' GLY . 57.3 tp -135.02 119.19 17.64 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 115.478 -0.783 . . . . 0.2 109.672 -179.913 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 562' ' ' GLU . . . . . 0.434 ' HB2' HD12 ' A' ' 599' ' ' LEU . 33.3 tt0 -99.23 122.26 42.17 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.605 0.716 . . . . 2.09 110.222 179.124 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 563' ' ' MET . . . . . 0.681 ' SD ' ' HA ' ' A' ' 569' ' ' ALA . 34.4 mtt -108.73 146.8 32.95 Favored 'General case' 0 C--N 1.313 -0.979 0 CA-C-N 114.889 -1.051 . . . . 0.39 109.336 -176.844 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 564' ' ' ALA . . . . . . . . . . . . . . . -63.48 -24.04 67.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.631 -0.713 . . . . 0.5 112.3 -170.864 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 565' ' ' TYR . . . . . . . . . . . . . 76.6 m-85 -145.3 156.48 43.83 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.018 0.437 . . . . 1.15 110.808 -178.675 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 566' ' ' THR . . . . . . . . . . . . . 13.3 t -67.74 -27.17 66.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.344 -0.843 . . . . 0.57 110.241 -179.125 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 567' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -58.1 -33.68 69.36 Favored 'General case' 0 C--O 1.232 0.17 0 CA-C-N 115.665 -0.698 . . . . 0.89 110.861 178.209 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 568' ' ' ALA . . . . . 0.625 ' O ' ' HG3' ' A' ' 572' ' ' MET . . . -74.52 -42.48 58.83 Favored 'General case' 0 N--CA 1.448 -0.543 0 CA-C-N 115.828 -0.624 . . . . 0.26 110.352 -177.688 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 569' ' ' ALA . . . . . 0.681 ' HA ' ' SD ' ' A' ' 563' ' ' MET . . . -61.95 -45.34 94.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.708 -0.678 . . . . 0.24 111.822 -174.572 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 570' ' ' GLN . . . . . . . . . . . . . 28.6 pt20 -68.9 -36.58 78.21 Favored 'General case' 0 C--N 1.327 -0.393 0 C-N-CA 120.564 -0.455 . . . . 1.24 110.5 -177.625 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 571' ' ' ALA . . . . . . . . . . . . . . . -65.29 -43.12 92.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.207 -0.451 . . . . 0.31 111.028 -178.212 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 572' ' ' MET . . . . . 0.625 ' HG3' ' O ' ' A' ' 568' ' ' ALA . 25.4 mtt -69.0 -44.24 73.19 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.421 -0.354 . . . . 0.47 110.516 -179.577 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 573' ' ' VAL . . . . . 0.683 ' O ' ' HG2' ' A' ' 577' ' ' GLN . 72.6 t -59.91 -48.67 86.86 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.183 0 C-N-CA 120.983 -0.287 . . . . 0.34 110.33 179.46 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 574' ' ' GLN . . . . . . . . . . . . . 18.0 mm-40 -62.13 -36.23 81.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.319 -0.401 . . . . 2.09 111.032 -179.838 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 575' ' ' TYR . . . . . . . . . . . . . 85.5 t80 -66.41 -52.04 50.67 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.045 -0.525 . . . . 0.48 110.339 -179.364 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 576' ' ' TYR . . . . . 0.627 ' CE1' ' HB2' ' A' ' 581' ' ' ALA . 67.3 m-85 -76.79 -13.05 60.06 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 112.826 0.676 . . . . 0.36 112.826 -176.815 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 577' ' ' GLN . . . . . 0.683 ' HG2' ' O ' ' A' ' 573' ' ' VAL . 81.7 mm-40 -69.12 -42.69 75.71 Favored 'General case' 0 C--N 1.327 -0.396 0 C-N-CA 120.432 -0.507 . . . . 1.89 109.67 170.718 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 578' ' ' GLU . . . . . 0.498 ' HB2' ' HD2' ' A' ' 579' ' ' LYS . 70.2 mt-10 -86.46 -39.89 15.86 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.092 -0.504 . . . . 2.14 111.188 178.528 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 579' ' ' LYS . . . . . 0.498 ' HD2' ' HB2' ' A' ' 578' ' ' GLU . 6.5 mptt -131.82 87.11 46.13 Favored Pre-proline 0 C--N 1.329 -0.322 0 N-CA-C 109.82 -0.437 . . . . 2.46 109.82 179.553 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 580' ' ' PRO . . . . . . . . . . . . . 32.8 Cg_endo -64.52 160.82 37.84 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.593 2.195 . . . . 0.37 112.554 -178.031 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 581' ' ' ALA . . . . . 0.627 ' HB2' ' CE1' ' A' ' 576' ' ' TYR . . . -91.32 132.06 36.41 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 109.383 -0.599 . . . . 0.27 109.383 177.699 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 582' ' ' ILE . . . . . . . . . . . . . 71.7 mt -108.15 120.74 60.05 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.881 0 CA-C-O 121.016 0.436 . . . . 0.51 111.503 -173.792 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 583' ' ' ILE . . . . . . . . . . . . . 31.8 mm -123.19 117.84 52.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 115.645 -0.707 . . . . 0.51 109.097 175.955 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 584' ' ' ASN . . . . . . . . . . . . . 80.8 m-20 59.8 32.38 21.3 Favored 'General case' 0 N--CA 1.467 0.376 0 CA-C-O 121.17 0.51 . . . . 1.1 110.269 -177.068 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 585' ' ' GLY . . . . . . . . . . . . . . . 81.83 0.93 90.02 Favored Glycine 0 N--CA 1.447 -0.626 0 C-N-CA 120.914 -0.66 . . . . 0.44 112.98 -179.776 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 586' ' ' GLU . . . . . . . . . . . . . 35.0 mm-40 -102.24 126.67 49.29 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.887 0.344 . . . . 1.79 110.758 -177.791 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 587' ' ' LYS . . . . . . . . . . . . . 95.1 mttt -74.75 125.85 29.63 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.912 -0.586 . . . . 1.67 111.79 178.614 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 588' ' ' LEU . . . . . 0.432 HD12 HD11 ' A' ' 540' ' ' LEU . 43.1 mt -88.05 140.83 29.09 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.993 -0.549 . . . . 0.24 110.497 178.671 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 589' ' ' LEU . . . . . . . . . . . . . 42.2 tp -112.47 111.54 22.45 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.131 -0.486 . . . . 0.38 110.928 -179.33 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 590' ' ' ILE . . . . . 0.474 HD12 ' CD2' ' A' ' 576' ' ' TYR . 17.2 mt -101.34 125.51 55.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 N-CA-C 110.191 -0.3 . . . . 0.26 110.191 175.518 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 591' ' ' ARG . . . . . . . . . . . . . 31.2 mtp180 -147.63 164.11 34.53 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.346 -0.388 . . . . 2.62 110.55 -178.298 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 592' ' ' MET . . . . . . . . . . . . . 65.4 mtt -82.34 140.42 33.54 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 109.234 -0.654 . . . . 0.34 109.234 176.567 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 593' ' ' SER . . . . . 0.422 ' OG ' ' HB2' ' A' ' 523' ' ' HIS . 23.6 m -87.25 136.82 32.79 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.158 0.504 . . . . 1.37 111.647 -173.784 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 594' ' ' THR . . . . . . . . . . . . . 18.8 p -91.57 -13.38 32.11 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.017 -0.992 . . . . 0.38 112.886 -175.276 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 595' ' ' ARG . . . . . . . . . . . . . 96.3 mtt180 -102.22 -28.94 12.0 Favored 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 112.724 0.639 . . . . 2.75 112.724 -170.315 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 596' ' ' TYR . . . . . . . . . . . . . 87.9 m-85 -127.9 148.92 50.5 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.747 0.308 . . . . 0.65 111.479 -178.22 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 597' ' ' LYS . . . . . . . . . . . . . 1.5 mtmt -110.77 -6.37 14.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.727 -0.67 . . . . 2.18 112.769 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 598' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -142.45 150.51 40.67 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.101 0.477 . . . . 0.95 110.936 -179.119 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 599' ' ' LEU . . . . . 0.712 HD21 HG13 ' A' ' 521' ' ' VAL . 80.5 mt -118.62 121.62 40.61 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.29 -0.868 . . . . 0.45 110.745 176.594 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 600' ' ' GLN . . . . . . . . . . . . . 25.2 tt0 -114.16 129.9 56.61 Favored 'General case' 0 C--N 1.32 -0.676 0 N-CA-C 109.392 -0.596 . . . . 1.52 109.392 177.408 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 601' ' ' LEU . . . . . . . . . . . . . 39.2 mt -78.82 94.92 5.25 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.037 0.446 . . . . 0.46 110.813 -179.369 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 602' ' ' LYS . . . . . . . . . . . . . 56.0 mtpt -77.64 -24.76 49.4 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.744 -0.662 . . . . 1.73 109.8 175.35 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 603' ' ' LYS . . . . . . . . . . . . . 12.3 mptt . . . . . 0 C--N 1.325 -0.472 0 CA-C-N 115.363 -0.835 . . . . 1.69 109.543 172.468 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 607' ' ' ASN . . . . . . . . . . . . . 47.8 t-20 . . . . . 0 C--O 1.234 0.244 0 CA-C-O 121.041 0.448 . . . . 1.33 110.587 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 608' ' ' VAL . . . . . 0.575 HG13 HG21 ' A' ' 538' ' ' ILE . 98.5 t -75.4 -21.2 16.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-N 115.511 -0.768 . . . . 0.3 111.293 -177.397 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 609' ' ' ALA . . . . . . . . . . . . . . . -65.21 -37.83 88.54 Favored 'General case' 0 C--O 1.236 0.363 0 CA-C-O 121.283 0.563 . . . . 0.44 110.322 177.148 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 610' ' ' ALA . . . . . . . . . . . . . . . -62.9 -29.84 71.08 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.502 -0.772 . . . . 0.4 109.987 176.635 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 611' ' ' ILE . . . . . 0.525 ' CD1' HD12 ' A' ' 538' ' ' ILE . 66.0 mt -70.52 -32.98 51.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 115.415 -0.812 . . . . 0.25 109.808 -179.556 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 612' ' ' ILE . . . . . 0.48 HG12 HD13 ' A' ' 542' ' ' LEU . 64.2 mt -60.37 -44.09 95.24 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.196 0 CA-C-O 121.141 0.496 . . . . 0.31 109.775 173.803 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 613' ' ' GLN . . . . . . . . . . . . . 12.6 mm100 -63.88 -30.37 71.47 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.845 -0.616 . . . . 2.31 110.616 178.75 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 614' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -69.07 -33.58 73.78 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.548 -0.751 . . . . 1.95 110.914 178.232 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 615' ' ' ILE . . . . . 0.455 HD11 ' HA ' ' A' ' 539' ' ' ASN . 83.8 mt -72.95 -41.79 60.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-N 116.278 -0.419 . . . . 0.35 110.714 177.433 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 616' ' ' HIS . . . . . . . . . . . . . 61.1 m80 -69.49 -32.83 71.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.01 -0.541 . . . . 1.26 111.698 -179.89 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 617' ' ' SER . . . . . . . . . . . . . 10.2 p . . . . . 0 C--N 1.329 -0.305 0 N-CA-C 109.402 -0.592 . . . . 1.18 109.402 172.302 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 520' ' ' ARG . . . . . . . . . . . . . 18.7 mtm-85 . . . . . 0 N--CA 1.447 -0.61 0 CA-C-O 121.188 0.518 . . . . 2.22 110.988 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 521' ' ' VAL . . . . . 0.644 HG13 HD21 ' A' ' 599' ' ' LEU . 61.0 t -118.95 121.6 67.24 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.75 0 CA-C-N 115.394 -0.821 . . . . 0.32 109.978 166.457 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 522' ' ' VAL . . . . . 0.556 ' HB ' ' O ' ' A' ' 561' ' ' LEU . 25.4 t -119.67 121.16 65.52 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.955 0 N-CA-C 107.705 -1.22 . . . . 0.22 107.705 175.495 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 523' ' ' HIS . . . . . . . . . . . . . 50.5 t-80 -106.21 131.44 53.45 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-O 121.167 0.508 . . . . 0.44 110.678 -171.931 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 524' ' ' ILE . . . . . 0.471 HD11 HD22 ' A' ' 561' ' ' LEU . 26.9 mt -111.09 137.19 44.61 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.96 0 N-CA-C 108.295 -1.002 . . . . 0.19 108.295 177.556 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 525' ' ' CYS . . . . . 0.465 ' SG ' ' HB3' ' A' ' 589' ' ' LEU . 7.5 p -134.4 163.62 29.27 Favored 'General case' 0 C--N 1.313 -1.003 0 C-N-CA 120.491 -0.484 . . . . 1.17 111.781 -175.146 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 526' ' ' ASN . . . . . 0.426 ' HB2' ' O ' ' A' ' 525' ' ' CYS . 80.4 m-20 85.47 29.95 0.05 OUTLIER 'General case' 0 N--CA 1.466 0.352 0 O-C-N 124.889 1.368 . . . . 0.26 110.758 174.775 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 527' ' ' LEU . . . . . . . . . . . . . 80.9 mt -83.77 123.75 75.77 Favored Pre-proline 0 C--N 1.324 -0.542 0 N-CA-C 109.136 -0.69 . . . . 0.25 109.136 178.133 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 528' ' ' PRO . . . . . 0.487 ' HG2' ' HB2' ' A' ' 531' ' ' SER . 19.6 Cg_endo -70.65 133.42 23.9 Favored 'Trans proline' 0 N--CA 1.455 -0.759 0 C-N-CA 121.2 1.266 . . . . 0.38 111.485 179.609 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 529' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -67.84 137.93 55.7 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 108.964 -0.754 . . . . 1.6 108.964 179.76 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 530' ' ' GLY . . . . . . . . . . . . . . . 88.22 4.55 77.53 Favored Glycine 0 N--CA 1.445 -0.746 0 C-N-CA 120.064 -1.065 . . . . 0.48 110.539 -172.059 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 531' ' ' SER . . . . . 0.487 ' HB2' ' HG2' ' A' ' 528' ' ' PRO . 68.9 m -149.24 6.53 0.67 Allowed 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.047 -0.576 . . . . 1.08 109.882 -174.973 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 532' ' ' CYS . . . . . . . . . . . . . 61.1 m -89.44 84.45 6.42 Favored 'General case' 0 CA--C 1.516 -0.346 0 N-CA-C 109.189 -0.671 . . . . 0.25 109.189 179.505 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 533' ' ' THR . . . . . 0.525 ' O ' HG23 ' A' ' 537' ' ' VAL . 28.8 p -99.53 152.14 20.36 Favored 'General case' 0 N--CA 1.443 -0.784 0 N-CA-C 108.695 -0.854 . . . . 0.35 108.695 -178.879 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 534' ' ' GLU . . . . . 0.527 ' N ' HD11 ' A' ' 552' ' ' LEU . 37.2 mt-10 -66.47 -34.38 77.8 Favored 'General case' 0 C--N 1.319 -0.758 0 N-CA-C 108.793 -0.818 . . . . 1.64 108.793 176.683 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 535' ' ' ASN . . . . . . . . . . . . . 66.0 t30 -63.28 -49.13 75.28 Favored 'General case' 0 C--O 1.214 -0.764 0 CA-C-N 114.553 -1.203 . . . . 1.82 111.202 -176.338 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 536' ' ' ASP . . . . . . . . . . . . . 49.6 m-20 -69.48 -43.03 74.02 Favored 'General case' 0 N--CA 1.474 0.764 0 CA-C-O 121.428 0.632 . . . . 0.61 111.156 -172.929 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 537' ' ' VAL . . . . . 0.525 HG23 ' O ' ' A' ' 533' ' ' THR . 38.7 t -59.96 -47.7 90.67 Favored 'Isoleucine or valine' 0 C--O 1.242 0.681 0 CA-C-N 114.964 -1.016 . . . . 0.15 109.921 -179.597 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 538' ' ' ILE . . . . . 0.667 HD11 ' CG ' ' A' ' 550' ' ' TYR . 71.5 mt -68.44 -33.44 60.22 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.752 0 CA-C-N 115.129 -0.941 . . . . 0.23 111.501 176.065 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 539' ' ' ASN . . . . . 0.578 ' HA ' HD11 ' A' ' 615' ' ' ILE . 95.2 m-20 -58.23 -27.73 64.22 Favored 'General case' 0 CA--C 1.514 -0.438 0 N-CA-C 110.366 -0.235 . . . . 0.25 110.366 177.214 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 540' ' ' LEU . . . . . 0.576 HD11 HD12 ' A' ' 588' ' ' LEU . 84.7 mt -75.86 -41.08 53.31 Favored 'General case' 0 C--N 1.324 -0.514 0 C-N-CA 120.622 -0.431 . . . . 0.27 110.351 173.765 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 541' ' ' GLY . . . . . 0.523 ' HA3' HD21 ' A' ' 561' ' ' LEU . . . -64.96 -52.4 42.26 Favored Glycine 0 CA--C 1.523 0.565 0 N-CA-C 115.44 0.936 . . . . 0.19 115.44 -179.751 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 542' ' ' LEU . . . . . 0.491 ' HB2' ' CD1' ' A' ' 615' ' ' ILE . 62.8 mt -56.63 -46.34 99.84 Favored Pre-proline 0 C--N 1.322 -0.606 0 N-CA-C 114.999 1.481 . . . . 0.2 114.999 -168.428 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 543' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -57.87 -26.6 74.88 Favored 'Trans proline' 0 C--N 1.35 0.612 0 C-N-CA 122.138 1.892 . . . . 0.23 113.984 -175.931 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 544' ' ' PHE . . . . . . . . . . . . . 97.0 m-85 -100.01 -16.46 17.91 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-O 120.835 0.35 . . . . 0.33 111.174 178.931 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 545' ' ' GLY . . . . . 0.475 ' O ' ' HA ' ' A' ' 542' ' ' LEU . . . 178.31 154.53 12.72 Favored Glycine 0 N--CA 1.447 -0.579 0 C-N-CA 120.765 -0.731 . . . . 0.44 112.057 179.79 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 546' ' ' LYS . . . . . . . . . . . . . 40.3 ttmt -66.42 131.34 45.85 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 121.04 0.448 . . . . 2.07 111.17 -177.191 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 547' ' ' VAL . . . . . 0.578 HG21 HG23 ' A' ' 538' ' ' ILE . 69.1 t -89.56 115.32 28.97 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-N 115.719 -0.673 . . . . 0.2 110.448 177.53 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 548' ' ' THR . . . . . . . . . . . . . 25.8 p -93.44 -35.23 13.09 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.252 -0.431 . . . . 0.31 111.251 -179.851 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 549' ' ' ASN . . . . . . . . . . . . . 91.9 m-20 -142.51 160.05 41.05 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.128 -0.487 . . . . 1.26 110.642 178.643 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 550' ' ' TYR . . . . . 0.667 ' CG ' HD11 ' A' ' 538' ' ' ILE . 4.8 p90 -161.13 151.46 17.74 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.637 -0.71 . . . . 0.31 109.228 -178.595 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 551' ' ' ILE . . . . . 0.568 ' HB ' ' HB2' ' A' ' 560' ' ' PHE . 62.5 mt -145.5 126.91 8.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 N-CA-C 108.365 -0.976 . . . . 0.22 108.365 -177.027 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 552' ' ' LEU . . . . . 0.527 HD11 ' N ' ' A' ' 534' ' ' GLU . 22.2 mt -106.26 124.85 50.23 Favored 'General case' 0 C--N 1.315 -0.903 0 C-N-CA 120.006 -0.678 . . . . 0.43 110.923 -178.39 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 553' ' ' MET . . . . . . . . . . . . . 42.7 mtp -108.37 80.28 1.34 Allowed 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 108.82 -0.807 . . . . 1.03 108.82 -179.332 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 554' ' ' LYS . . . . . . . . . . . . . 26.3 mmtp -54.03 -29.49 43.89 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 114.478 -1.237 . . . . 1.03 113.011 175.776 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 555' ' ' SER . . . . . . . . . . . . . 65.7 p -69.33 -44.63 71.27 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 120.729 0.3 . . . . 0.51 111.699 -173.37 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 556' ' ' THR . . . . . . . . . . . . . 41.1 p -102.2 7.5 40.84 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 112.753 0.649 . . . . 0.45 112.753 -175.283 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 557' ' ' ASN . . . . . . . . . . . . . 19.1 m120 60.46 39.91 17.79 Favored 'General case' 0 N--CA 1.471 0.596 0 CA-C-O 121.663 0.745 . . . . 1.28 110.29 -176.316 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 558' ' ' GLN . . . . . . . . . . . . . 27.7 mt-30 -135.61 168.4 19.33 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.028 -0.987 . . . . 0.84 109.647 -174.947 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 559' ' ' ALA . . . . . . . . . . . . . . . -158.95 165.59 33.76 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.093 0.473 . . . . 0.16 111.547 176.467 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 560' ' ' PHE . . . . . 0.568 ' HB2' ' HB ' ' A' ' 551' ' ' ILE . 85.0 m-85 -119.46 145.09 46.59 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.95 -0.568 . . . . 0.35 110.142 176.075 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 561' ' ' LEU . . . . . 0.556 ' O ' ' HB ' ' A' ' 522' ' ' VAL . 54.0 tp -135.05 119.4 17.85 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.721 -0.672 . . . . 0.2 110.05 -179.409 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 562' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -101.08 136.11 41.45 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.283 0.563 . . . . 2.09 109.842 177.501 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 563' ' ' MET . . . . . 0.587 ' SD ' ' HA ' ' A' ' 569' ' ' ALA . 40.5 mtt -120.77 164.95 15.82 Favored 'General case' 0 C--N 1.317 -0.84 0 CA-C-N 115.263 -0.88 . . . . 0.39 110.03 -170.329 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 564' ' ' ALA . . . . . . . . . . . . . . . -59.1 -43.34 91.85 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 120.834 0.349 . . . . 0.5 111.94 -175.631 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 565' ' ' TYR . . . . . 0.415 ' HB2' ' HG2' ' A' ' 567' ' ' GLU . 96.9 m-85 -144.37 162.72 35.76 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.245 -0.434 . . . . 1.15 110.993 -177.032 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 566' ' ' THR . . . . . . . . . . . . . 13.3 t -62.6 -27.15 69.0 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.675 -0.693 . . . . 0.57 110.836 179.342 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 567' ' ' GLU . . . . . 0.415 ' HG2' ' HB2' ' A' ' 565' ' ' TYR . 10.3 pt-20 -61.33 -32.28 72.15 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.945 -0.57 . . . . 0.89 110.807 176.636 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 568' ' ' ALA . . . . . 0.677 ' O ' ' HG3' ' A' ' 572' ' ' MET . . . -72.56 -41.47 65.7 Favored 'General case' 0 N--CA 1.448 -0.531 0 N-CA-C 109.402 -0.592 . . . . 0.26 109.402 -179.463 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 569' ' ' ALA . . . . . 0.587 ' HA ' ' SD ' ' A' ' 563' ' ' MET . . . -64.15 -45.76 87.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.77 -0.65 . . . . 0.24 111.083 -178.448 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 570' ' ' GLN . . . . . . . . . . . . . 14.0 pt20 -64.8 -35.99 82.87 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.257 -0.429 . . . . 1.24 110.62 -177.039 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 571' ' ' ALA . . . . . . . . . . . . . . . -67.5 -45.16 76.65 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.242 -0.435 . . . . 0.31 111.021 179.539 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 572' ' ' MET . . . . . 0.677 ' HG3' ' O ' ' A' ' 568' ' ' ALA . 25.4 mtt -69.27 -44.22 72.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 0.47 110.849 -178.246 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 573' ' ' VAL . . . . . 0.584 ' O ' ' HG3' ' A' ' 577' ' ' GLN . 75.1 t -59.01 -46.71 91.52 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.263 0 CA-C-N 116.796 -0.183 . . . . 0.34 110.555 -178.524 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 574' ' ' GLN . . . . . . . . . . . . . 48.7 mt-30 -62.21 -37.39 85.16 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.853 0.359 . . . . 2.09 110.902 178.288 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 575' ' ' TYR . . . . . . . . . . . . . 92.9 t80 -68.27 -53.2 26.14 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.041 -0.527 . . . . 0.48 110.858 -176.908 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 576' ' ' TYR . . . . . 0.583 ' CD2' HD12 ' A' ' 590' ' ' ILE . 94.4 m-85 -76.41 -13.3 60.13 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 113.055 0.761 . . . . 0.36 113.055 -174.567 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 577' ' ' GLN . . . . . 0.584 ' HG3' ' O ' ' A' ' 573' ' ' VAL . 57.0 mt-30 -71.05 -43.21 68.3 Favored 'General case' 0 C--N 1.327 -0.387 0 C-N-CA 120.229 -0.588 . . . . 1.89 110.168 173.367 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 578' ' ' GLU . . . . . . . . . . . . . 32.8 mt-10 -91.86 -37.13 13.1 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.066 -0.515 . . . . 2.14 111.346 -179.615 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 579' ' ' LYS . . . . . . . . . . . . . 93.4 mttt -124.39 82.45 58.19 Favored Pre-proline 0 C--N 1.325 -0.499 0 N-CA-C 109.594 -0.521 . . . . 2.46 109.594 176.332 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 580' ' ' PRO . . . . . . . . . . . . . 37.0 Cg_endo -65.94 160.32 44.77 Favored 'Trans proline' 0 C--O 1.232 0.224 0 C-N-CA 122.577 2.185 . . . . 0.37 112.464 -177.859 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 581' ' ' ALA . . . . . . . . . . . . . . . -91.59 139.04 31.08 Favored 'General case' 0 CA--C 1.513 -0.472 0 CA-C-N 116.268 -0.424 . . . . 0.27 110.058 -179.462 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 582' ' ' ILE . . . . . . . . . . . . . 26.3 mt -104.48 118.87 52.47 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 CA-C-O 120.973 0.416 . . . . 0.51 111.014 -176.672 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 583' ' ' ILE . . . . . 0.447 HG13 HD11 ' A' ' 588' ' ' LEU . 29.3 mm -121.14 111.16 30.37 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 115.921 -0.582 . . . . 0.51 109.589 172.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 584' ' ' ASN . . . . . . . . . . . . . 96.3 m-20 50.8 44.01 28.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.553 0.692 . . . . 1.1 110.559 179.47 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 585' ' ' GLY . . . . . . . . . . . . . . . 85.56 -3.6 86.92 Favored Glycine 0 N--CA 1.449 -0.48 0 CA-C-N 114.696 -1.138 . . . . 0.44 114.669 176.649 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 586' ' ' GLU . . . . . . . . . . . . . 74.1 mm-40 -100.46 126.24 46.85 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 117.939 0.869 . . . . 1.79 111.31 -179.337 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 587' ' ' LYS . . . . . . . . . . . . . 42.5 mmtm -75.96 119.72 20.3 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.419 -0.809 . . . . 1.67 110.531 174.231 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 588' ' ' LEU . . . . . 0.576 HD12 HD11 ' A' ' 540' ' ' LEU . 42.5 mt -91.05 137.61 32.23 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 116.192 -0.458 . . . . 0.24 110.887 -179.858 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 589' ' ' LEU . . . . . 0.465 ' HB3' ' SG ' ' A' ' 525' ' ' CYS . 43.5 tp -114.69 121.9 44.79 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.803 -0.635 . . . . 0.38 110.532 179.793 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 590' ' ' ILE . . . . . 0.583 HD12 ' CD2' ' A' ' 576' ' ' TYR . 24.5 mt -106.49 122.6 60.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 116.584 -0.28 . . . . 0.26 110.276 177.267 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 591' ' ' ARG . . . . . . . . . . . . . 49.4 mtp180 -147.47 166.63 26.67 Favored 'General case' 0 N--CA 1.465 0.279 0 C-N-CA 122.569 0.348 . . . . 2.62 110.21 -177.564 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 592' ' ' MET . . . . . . . . . . . . . 63.7 mtt -81.37 150.96 28.19 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.614 0.245 . . . . 0.34 110.366 -178.307 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 593' ' ' SER . . . . . . . . . . . . . 36.2 t -86.18 136.48 33.18 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.326 0.584 . . . . 1.37 111.442 -178.229 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 594' ' ' THR . . . . . . . . . . . . . 19.2 p -90.09 -20.04 23.63 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 114.777 -1.101 . . . . 0.38 111.685 179.084 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 595' ' ' ARG . . . . . . . . . . . . . 68.6 mtp180 -103.52 -30.02 10.78 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 112.633 0.605 . . . . 2.75 112.633 -171.487 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 596' ' ' TYR . . . . . . . . . . . . . 85.6 m-85 -116.02 141.62 47.88 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.167 0.508 . . . . 0.65 111.911 -175.206 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 597' ' ' LYS . . . . . 0.499 ' N ' ' HD2' ' A' ' 597' ' ' LYS . 0.1 OUTLIER -109.45 -12.95 14.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.496 -0.775 . . . . 2.18 111.409 177.971 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 598' ' ' GLU . . . . . . . . . . . . . 40.8 tt0 -143.63 150.91 39.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.129 0.49 . . . . 0.95 111.356 -179.779 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 599' ' ' LEU . . . . . 0.644 HD21 HG13 ' A' ' 521' ' ' VAL . 78.9 mt -119.83 121.58 39.42 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.315 -0.857 . . . . 0.45 110.303 174.239 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 600' ' ' GLN . . . . . . . . . . . . . 15.6 pt20 -113.85 136.57 52.72 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 109.522 -0.547 . . . . 1.52 109.522 174.189 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 601' ' ' LEU . . . . . . . . . . . . . 73.7 mt -80.34 99.08 7.73 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 116.229 -0.441 . . . . 0.46 110.976 -176.537 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 602' ' ' LYS . . . . . . . . . . . . . 54.2 mtmt -86.42 -10.89 53.35 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.904 -0.589 . . . . 1.73 110.198 175.804 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 603' ' ' LYS . . . . . . . . . . . . . 33.7 mmtp . . . . . 0 C--N 1.323 -0.551 0 CA-C-N 115.821 -0.627 . . . . 1.69 109.331 175.578 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 607' ' ' ASN . . . . . . . . . . . . . 26.9 t-20 . . . . . 0 C--O 1.233 0.225 0 CA-C-O 121.21 0.529 . . . . 1.33 110.916 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 608' ' ' VAL . . . . . 0.561 HG11 ' HB ' ' A' ' 547' ' ' VAL . 76.0 t -81.66 -23.2 10.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-N 115.513 -0.767 . . . . 0.3 111.511 -174.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 609' ' ' ALA . . . . . . . . . . . . . . . -62.58 -34.22 76.53 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.324 0.583 . . . . 0.44 110.224 174.479 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 610' ' ' ALA . . . . . . . . . . . . . . . -65.42 -27.58 68.64 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.761 -0.654 . . . . 0.4 110.186 175.207 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 611' ' ' ILE . . . . . 0.417 ' HB ' ' O ' ' A' ' 608' ' ' VAL . 71.7 mt -71.39 -31.41 43.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 115.755 -0.657 . . . . 0.25 109.671 177.091 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 612' ' ' ILE . . . . . 0.412 HG12 HD13 ' A' ' 542' ' ' LEU . 63.1 mt -60.74 -43.74 95.82 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.22 0 CA-C-O 121.172 0.511 . . . . 0.31 109.69 173.424 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 613' ' ' GLN . . . . . . . . . . . . . 26.4 mm-40 -64.57 -30.59 71.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.721 0.772 . . . . 2.31 109.454 178.433 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 614' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -66.99 -42.17 85.52 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 114.597 -1.183 . . . . 1.95 109.726 179.72 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 615' ' ' ILE . . . . . 0.578 HD11 ' HA ' ' A' ' 539' ' ' ASN . 79.3 mt -65.1 -38.78 83.58 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 115.987 -0.551 . . . . 0.35 110.924 178.771 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 616' ' ' HIS . . . . . . . . . . . . . 59.6 m80 -64.51 -28.1 69.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.934 0.397 . . . . 1.26 110.494 177.352 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 617' ' ' SER . . . . . . . . . . . . . 18.4 m . . . . . 0 C--N 1.328 -0.359 0 CA-C-N 116.076 -0.511 . . . . 1.18 110.35 174.961 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 520' ' ' ARG . . . . . . . . . . . . . 19.3 mtm-85 . . . . . 0 N--CA 1.452 -0.346 0 CA-C-O 121.098 0.475 . . . . 2.22 111.077 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 521' ' ' VAL . . . . . 0.902 HG13 HD21 ' A' ' 599' ' ' LEU . 87.4 t -118.58 120.08 63.12 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 CA-C-N 115.404 -0.816 . . . . 0.32 109.892 165.254 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 522' ' ' VAL . . . . . 0.637 ' HB ' ' O ' ' A' ' 561' ' ' LEU . 25.6 t -121.11 120.85 63.35 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.963 0 N-CA-C 108.034 -1.099 . . . . 0.22 108.034 176.395 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 523' ' ' HIS . . . . . 0.592 ' CE1' ' HB3' ' A' ' 558' ' ' GLN . 49.1 t60 -106.03 133.82 50.13 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 121.116 0.484 . . . . 0.44 110.446 -176.038 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 524' ' ' ILE . . . . . 0.426 HD11 HD22 ' A' ' 561' ' ' LEU . 31.3 mt -111.37 137.25 44.71 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.914 0 N-CA-C 108.489 -0.93 . . . . 0.19 108.489 176.638 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 525' ' ' CYS . . . . . 0.503 ' SG ' ' HB3' ' A' ' 589' ' ' LEU . 5.1 p -134.88 163.1 30.59 Favored 'General case' 0 C--N 1.314 -0.949 0 C-N-CA 120.475 -0.49 . . . . 1.17 111.664 -173.87 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 526' ' ' ASN . . . . . 0.462 ' HB2' ' O ' ' A' ' 525' ' ' CYS . 89.6 m-20 86.05 27.94 0.05 OUTLIER 'General case' 0 N--CA 1.469 0.487 0 O-C-N 124.917 1.385 . . . . 0.26 110.574 176.127 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 527' ' ' LEU . . . . . 0.455 ' O ' ' HB3' ' A' ' 557' ' ' ASN . 82.5 mt -84.11 124.3 74.43 Favored Pre-proline 0 C--N 1.325 -0.494 0 CA-C-N 115.549 -0.75 . . . . 0.25 109.066 177.663 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 528' ' ' PRO . . . . . 0.411 ' HD3' ' HA ' ' A' ' 527' ' ' LEU . 14.2 Cg_exo -68.55 136.18 35.64 Favored 'Trans proline' 0 N--CA 1.46 -0.47 0 C-N-CA 121.798 1.665 . . . . 0.38 112.023 -178.118 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 529' ' ' GLU . . . . . . . . . . . . . 47.6 tt0 -64.43 133.53 52.71 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.449 -0.796 . . . . 1.6 109.779 177.527 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 530' ' ' GLY . . . . . . . . . . . . . . . 86.77 5.26 81.6 Favored Glycine 0 N--CA 1.445 -0.703 0 C-N-CA 119.865 -1.159 . . . . 0.48 111.27 -173.88 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 531' ' ' SER . . . . . . . . . . . . . 50.1 m -148.03 11.57 0.94 Allowed 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.332 0.586 . . . . 1.08 110.189 -175.211 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 532' ' ' CYS . . . . . . . . . . . . . 63.1 m -89.85 88.25 7.27 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 109.109 -0.7 . . . . 0.25 109.109 177.515 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 533' ' ' THR . . . . . 0.477 ' O ' HG23 ' A' ' 537' ' ' VAL . 29.3 p -102.15 151.92 21.62 Favored 'General case' 0 C--N 1.322 -0.627 0 C-N-CA 119.908 -0.717 . . . . 0.35 109.225 -178.611 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 534' ' ' GLU . . . . . 0.545 ' N ' HD11 ' A' ' 552' ' ' LEU . 83.7 mt-10 -65.93 -34.35 77.93 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 108.984 -0.747 . . . . 1.64 108.984 176.681 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 535' ' ' ASN . . . . . . . . . . . . . 5.6 m-20 -62.83 -48.84 77.34 Favored 'General case' 0 C--O 1.214 -0.81 0 CA-C-N 114.703 -1.135 . . . . 1.82 111.523 -177.111 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 536' ' ' ASP . . . . . . . . . . . . . 51.4 m-20 -69.83 -44.86 69.08 Favored 'General case' 0 N--CA 1.473 0.676 0 CA-C-O 121.34 0.59 . . . . 0.61 111.266 -172.833 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 537' ' ' VAL . . . . . 0.477 HG23 ' O ' ' A' ' 533' ' ' THR . 36.3 t -60.33 -48.14 89.47 Favored 'Isoleucine or valine' 0 C--O 1.242 0.678 0 CA-C-N 114.989 -1.005 . . . . 0.15 110.028 -178.775 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 538' ' ' ILE . . . . . 0.661 HD11 ' CG ' ' A' ' 550' ' ' TYR . 65.0 mt -68.31 -33.46 60.63 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.789 0 CA-C-N 115.207 -0.906 . . . . 0.23 111.329 176.262 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 539' ' ' ASN . . . . . 0.452 ' HA ' HD11 ' A' ' 615' ' ' ILE . 95.6 m-20 -58.48 -26.55 63.53 Favored 'General case' 0 CA--C 1.515 -0.401 0 N-CA-C 110.595 -0.15 . . . . 0.25 110.595 176.924 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 540' ' ' LEU . . . . . 0.503 HD11 HD12 ' A' ' 588' ' ' LEU . 83.4 mt -75.62 -42.55 51.43 Favored 'General case' 0 C--N 1.324 -0.529 0 C-N-CA 120.45 -0.5 . . . . 0.27 109.762 173.005 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 541' ' ' GLY . . . . . 0.513 ' HA2' ' SD ' ' A' ' 572' ' ' MET . . . -65.16 -52.5 40.51 Favored Glycine 0 CA--C 1.523 0.558 0 N-CA-C 115.483 0.953 . . . . 0.19 115.483 -178.779 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 542' ' ' LEU . . . . . 0.515 HD23 ' H ' ' A' ' 547' ' ' VAL . 45.5 mt -56.25 -47.25 99.24 Favored Pre-proline 0 C--N 1.321 -0.649 0 N-CA-C 114.931 1.456 . . . . 0.2 114.931 -168.444 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 543' ' ' PRO . . . . . 0.408 ' HG3' HD13 ' A' ' 615' ' ' ILE . 50.4 Cg_exo -59.85 -26.31 81.93 Favored 'Trans proline' 0 C--N 1.348 0.549 0 C-N-CA 122.096 1.864 . . . . 0.23 113.609 -177.114 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 544' ' ' PHE . . . . . 0.464 ' HB2' ' HE2' ' A' ' 572' ' ' MET . 96.6 m-85 -97.92 -15.09 20.3 Favored 'General case' 0 C--N 1.332 -0.192 0 O-C-N 122.207 -0.308 . . . . 0.33 111.321 177.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 545' ' ' GLY . . . . . 0.475 ' O ' ' HA ' ' A' ' 542' ' ' LEU . . . 176.21 151.57 8.93 Favored Glycine 0 N--CA 1.449 -0.446 0 C-N-CA 120.793 -0.718 . . . . 0.44 112.039 -178.751 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 546' ' ' LYS . . . . . . . . . . . . . 38.3 ttpt -66.24 128.89 37.9 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 120.962 0.41 . . . . 2.07 110.852 -177.138 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 547' ' ' VAL . . . . . 0.615 HG21 HG23 ' A' ' 538' ' ' ILE . 70.3 t -86.94 115.25 27.44 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 CA-C-N 115.73 -0.668 . . . . 0.2 110.359 178.352 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 548' ' ' THR . . . . . . . . . . . . . 24.2 p -94.73 -34.6 12.47 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 116.075 -0.511 . . . . 0.31 111.427 -179.619 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 549' ' ' ASN . . . . . 0.462 ' HB2' ' CB ' ' A' ' 562' ' ' GLU . 35.4 m-80 -143.5 156.51 44.64 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.069 -0.514 . . . . 1.26 110.183 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 550' ' ' TYR . . . . . 0.661 ' CG ' HD11 ' A' ' 538' ' ' ILE . 7.1 p90 -160.79 152.78 19.97 Favored 'General case' 0 C--N 1.319 -0.729 0 N-CA-C 109.559 -0.534 . . . . 0.31 109.559 -178.927 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 551' ' ' ILE . . . . . 0.56 ' HB ' ' HB2' ' A' ' 560' ' ' PHE . 70.7 mt -143.77 124.99 10.3 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 N-CA-C 108.336 -0.987 . . . . 0.22 108.336 -176.684 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 552' ' ' LEU . . . . . 0.545 HD11 ' N ' ' A' ' 534' ' ' GLU . 22.2 mt -106.7 125.65 51.27 Favored 'General case' 0 C--N 1.313 -0.98 0 C-N-CA 119.76 -0.776 . . . . 0.43 110.179 179.439 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 553' ' ' MET . . . . . 0.427 ' SD ' ' HE2' ' A' ' 560' ' ' PHE . 34.0 mtp -107.96 79.68 1.3 Allowed 'General case' 0 C--N 1.316 -0.88 0 N-CA-C 108.185 -1.043 . . . . 1.03 108.185 179.917 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 554' ' ' LYS . . . . . 0.423 ' HG2' ' H ' ' A' ' 554' ' ' LYS . 23.9 mmtp -54.45 -29.87 50.97 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 114.828 -1.078 . . . . 1.03 112.712 176.52 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 555' ' ' SER . . . . . . . . . . . . . 64.1 p -68.94 -41.97 77.36 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 120.665 0.269 . . . . 0.51 111.55 -173.679 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 556' ' ' THR . . . . . . . . . . . . . 42.5 p -103.42 6.8 37.91 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 112.048 0.388 . . . . 0.45 112.048 -176.66 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 557' ' ' ASN . . . . . 0.455 ' HB3' ' O ' ' A' ' 527' ' ' LEU . 2.5 m-20 59.01 39.31 23.63 Favored 'General case' 0 N--CA 1.467 0.408 0 CA-C-O 121.767 0.794 . . . . 1.28 110.021 -176.958 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 558' ' ' GLN . . . . . 0.592 ' HB3' ' CE1' ' A' ' 523' ' ' HIS . 63.9 mt-30 -132.48 167.91 19.12 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 114.985 -1.007 . . . . 0.84 109.304 -176.272 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 559' ' ' ALA . . . . . 0.41 ' HB1' HD23 ' A' ' 552' ' ' LEU . . . -158.84 165.18 34.82 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.154 0.502 . . . . 0.16 111.804 176.476 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 560' ' ' PHE . . . . . 0.56 ' HB2' ' HB ' ' A' ' 551' ' ' ILE . 91.8 m-85 -120.34 150.05 41.35 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.753 -0.658 . . . . 0.35 110.485 174.474 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 561' ' ' LEU . . . . . 0.637 ' O ' ' HB ' ' A' ' 522' ' ' VAL . 56.0 tp -137.42 118.78 14.68 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.752 -0.658 . . . . 0.2 110.055 -179.467 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 562' ' ' GLU . . . . . 0.462 ' CB ' ' HB2' ' A' ' 549' ' ' ASN . 0.0 OUTLIER -102.83 136.78 42.02 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.383 0.611 . . . . 2.09 110.276 177.801 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 563' ' ' MET . . . . . 0.579 ' SD ' ' HA ' ' A' ' 569' ' ' ALA . 33.1 mtt -121.07 164.76 16.31 Favored 'General case' 0 C--N 1.313 -0.984 0 CA-C-N 115.211 -0.904 . . . . 0.39 109.895 -170.408 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 564' ' ' ALA . . . . . . . . . . . . . . . -59.61 -44.31 93.46 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 117.947 0.34 . . . . 0.5 111.844 -175.565 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 565' ' ' TYR . . . . . . . . . . . . . 75.2 m-85 -142.59 162.63 34.96 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.004 0.431 . . . . 1.15 111.673 -178.73 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 566' ' ' THR . . . . . . . . . . . . . 9.8 t -60.09 -27.61 67.14 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.446 -0.797 . . . . 0.57 111.407 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 567' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -60.49 -32.65 71.63 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-N 116.172 -0.467 . . . . 0.89 111.071 179.348 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 568' ' ' ALA . . . . . 0.671 ' O ' ' HG3' ' A' ' 572' ' ' MET . . . -73.56 -42.54 61.52 Favored 'General case' 0 N--CA 1.451 -0.383 0 CA-C-N 115.96 -0.564 . . . . 0.26 109.879 179.71 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 569' ' ' ALA . . . . . 0.579 ' HA ' ' SD ' ' A' ' 563' ' ' MET . . . -63.2 -45.18 92.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.959 -0.564 . . . . 0.24 111.182 -176.743 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 570' ' ' GLN . . . . . . . . . . . . . 17.2 pt20 -67.29 -36.21 81.06 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.268 -0.424 . . . . 1.24 110.424 -178.578 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 571' ' ' ALA . . . . . . . . . . . . . . . -65.03 -45.5 85.2 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.272 -0.422 . . . . 0.31 110.85 178.292 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 572' ' ' MET . . . . . 0.671 ' HG3' ' O ' ' A' ' 568' ' ' ALA . 28.4 mtt -69.39 -45.75 68.52 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.365 -0.379 . . . . 0.47 110.961 -178.018 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 573' ' ' VAL . . . . . 0.571 ' O ' ' HG3' ' A' ' 577' ' ' GLN . 75.1 t -59.49 -46.46 92.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 N-CA-C 110.488 -0.19 . . . . 0.34 110.488 -178.404 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 574' ' ' GLN . . . . . . . . . . . . . 16.3 mm100 -62.02 -38.88 90.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.772 0.32 . . . . 2.09 110.89 177.809 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 575' ' ' TYR . . . . . . . . . . . . . 78.1 t80 -68.73 -52.32 31.91 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.026 -0.534 . . . . 0.48 110.75 -176.799 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 576' ' ' TYR . . . . . 0.533 ' CD2' HD12 ' A' ' 590' ' ' ILE . 83.6 m-85 -74.75 -13.13 60.56 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 112.91 0.708 . . . . 0.36 112.91 -176.27 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 577' ' ' GLN . . . . . 0.571 ' HG3' ' O ' ' A' ' 573' ' ' VAL . 43.0 mt-30 -71.7 -42.3 67.57 Favored 'General case' 0 C--N 1.325 -0.47 0 C-N-CA 120.227 -0.589 . . . . 1.89 109.596 171.132 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 578' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -86.12 -37.97 18.23 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.148 -0.478 . . . . 2.14 111.204 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 579' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -130.11 84.97 58.64 Favored Pre-proline 0 C--N 1.327 -0.412 0 CA-C-N 116.486 -0.324 . . . . 2.46 110.174 177.949 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 580' ' ' PRO . . . . . . . . . . . . . 39.5 Cg_endo -66.32 160.6 44.53 Favored 'Trans proline' 0 C--O 1.231 0.133 0 C-N-CA 122.843 2.362 . . . . 0.37 112.307 -178.647 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 581' ' ' ALA . . . . . 0.4 ' O ' ' HG ' ' A' ' 588' ' ' LEU . . . -91.35 135.21 33.98 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 109.761 -0.459 . . . . 0.27 109.761 179.923 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 582' ' ' ILE . . . . . . . . . . . . . 23.7 mt -100.34 119.65 48.72 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.939 0 CA-C-N 116.529 -0.305 . . . . 0.51 111.094 -174.668 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 583' ' ' ILE . . . . . 0.445 HG13 HD11 ' A' ' 588' ' ' LEU . 31.4 mm -126.53 113.19 32.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 N-CA-C 109.235 -0.654 . . . . 0.51 109.235 173.78 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 584' ' ' ASN . . . . . . . . . . . . . 94.4 m-20 59.27 33.01 22.39 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-O 121.242 0.544 . . . . 1.1 110.296 -177.295 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 585' ' ' GLY . . . . . . . . . . . . . . . 81.37 5.57 89.9 Favored Glycine 0 N--CA 1.445 -0.702 0 CA-C-N 115.556 -0.747 . . . . 0.44 112.98 179.341 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 586' ' ' GLU . . . . . . . . . . . . . 9.1 mm-40 -101.1 125.84 47.75 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.773 0.287 . . . . 1.79 110.531 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 587' ' ' LYS . . . . . . . . . . . . . 33.6 mmtp -76.34 115.87 16.49 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.854 -0.612 . . . . 1.67 110.957 177.657 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 588' ' ' LEU . . . . . 0.503 HD12 HD11 ' A' ' 540' ' ' LEU . 50.2 mt -80.6 135.83 36.13 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.167 -0.469 . . . . 0.24 110.719 179.106 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 589' ' ' LEU . . . . . 0.503 ' HB3' ' SG ' ' A' ' 525' ' ' CYS . 53.0 tp -113.6 118.6 34.86 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.764 -0.653 . . . . 0.38 110.494 -179.646 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 590' ' ' ILE . . . . . 0.533 HD12 ' CD2' ' A' ' 576' ' ' TYR . 18.6 mt -100.19 128.59 52.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 N-CA-C 109.778 -0.453 . . . . 0.26 109.778 175.879 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 591' ' ' ARG . . . . . . . . . . . . . 18.2 mmm180 -142.97 153.0 42.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.507 -0.315 . . . . 2.62 110.826 -173.955 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 592' ' ' MET . . . . . . . . . . . . . 58.8 mtt -83.14 132.05 35.11 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 109.855 -0.424 . . . . 0.34 109.855 175.929 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 593' ' ' SER . . . . . . . . . . . . . 49.9 m -77.69 137.11 38.33 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 121.538 0.685 . . . . 1.37 112.4 -176.099 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 594' ' ' THR . . . . . . . . . . . . . 21.1 p -91.82 -14.58 29.55 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 114.495 -1.229 . . . . 0.38 111.832 179.78 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 595' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -101.38 -27.88 12.9 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 112.265 0.469 . . . . 2.75 112.265 -169.371 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 596' ' ' TYR . . . . . 0.434 ' CB ' HG21 ' A' ' 521' ' ' VAL . 77.0 m-85 -120.44 155.4 33.58 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 121.23 0.538 . . . . 0.65 111.665 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 597' ' ' LYS . . . . . . . . . . . . . 15.4 mtmt -108.09 -28.45 9.52 Favored 'General case' 0 C--O 1.22 -0.492 0 CA-C-N 114.988 -1.005 . . . . 2.18 110.904 -178.46 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 598' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -142.39 149.29 39.16 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 120.986 0.422 . . . . 0.95 110.77 -176.084 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 599' ' ' LEU . . . . . 0.902 HD21 HG13 ' A' ' 521' ' ' VAL . 48.8 mt -100.74 126.63 47.31 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.715 -0.675 . . . . 0.45 110.917 177.551 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 600' ' ' GLN . . . . . . . . . . . . . 13.8 pt20 -113.52 138.36 50.24 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.927 -0.579 . . . . 1.52 109.76 177.063 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 601' ' ' LEU . . . . . . . . . . . . . 65.6 mt -86.28 89.31 7.82 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 120.709 0.29 . . . . 0.46 111.201 -177.729 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 602' ' ' LYS . . . . . . . . . . . . . 14.5 mmmm -66.52 -27.23 67.6 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.599 0.714 . . . . 1.73 109.178 171.223 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 603' ' ' LYS . . . . . . . . . . . . . 34.6 mmtp . . . . . 0 C--N 1.324 -0.515 0 CA-C-N 115.06 -0.973 . . . . 1.69 108.867 173.908 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 607' ' ' ASN . . . . . . . . . . . . . 26.3 t-20 . . . . . 0 N--CA 1.456 -0.169 0 CA-C-O 121.128 0.49 . . . . 1.33 110.895 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 608' ' ' VAL . . . . . 0.562 HG11 ' HB ' ' A' ' 547' ' ' VAL . 68.8 t -87.11 -16.74 9.12 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-N 115.719 -0.673 . . . . 0.3 111.084 -175.27 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 609' ' ' ALA . . . . . . . . . . . . . . . -64.17 -34.64 78.53 Favored 'General case' 0 C--O 1.236 0.372 0 CA-C-O 121.264 0.554 . . . . 0.44 110.856 176.382 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 610' ' ' ALA . . . . . . . . . . . . . . . -63.92 -28.56 69.91 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.993 -0.549 . . . . 0.4 110.109 176.254 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 611' ' ' ILE . . . . . 0.415 ' HA ' ' OD1' ' A' ' 614' ' ' ASP . 77.0 mt -70.85 -30.89 43.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 115.766 -0.652 . . . . 0.25 109.642 178.765 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 612' ' ' ILE . . . . . 0.426 ' CG1' HD13 ' A' ' 542' ' ' LEU . 67.1 mt -60.28 -41.89 88.63 Favored 'Isoleucine or valine' 0 C--O 1.235 0.29 0 CA-C-O 121.301 0.572 . . . . 0.31 109.706 172.358 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 613' ' ' GLN . . . . . . . . . . . . . 30.6 mm-40 -64.38 -30.36 71.4 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.517 -0.765 . . . . 2.31 110.428 177.286 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 614' ' ' ASP . . . . . 0.415 ' OD1' ' HA ' ' A' ' 611' ' ' ILE . 37.3 m-20 -66.53 -42.98 86.39 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.808 -0.633 . . . . 1.95 110.359 177.608 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 615' ' ' ILE . . . . . 0.485 ' CD1' ' HB2' ' A' ' 542' ' ' LEU . 84.5 mt -63.39 -46.57 95.02 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.186 0 CA-C-O 121.233 0.54 . . . . 0.35 110.736 179.051 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 616' ' ' HIS . . . . . . . . . . . . . 48.5 m170 -63.23 -35.28 79.8 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.355 -0.839 . . . . 1.26 110.845 -178.491 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 617' ' ' SER . . . . . . . . . . . . . 38.7 m . . . . . 0 C--N 1.326 -0.422 0 CA-C-N 116.406 -0.361 . . . . 1.18 111.038 177.69 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 520' ' ' ARG . . . . . . . . . . . . . 16.5 mtm-85 . . . . . 0 N--CA 1.449 -0.481 0 CA-C-O 121.47 0.652 . . . . 2.22 111.9 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 521' ' ' VAL . . . . . 0.9 HG13 HD21 ' A' ' 599' ' ' LEU . 97.6 t -117.53 120.71 65.64 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.71 0 CA-C-N 114.888 -1.051 . . . . 0.32 109.778 170.134 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 522' ' ' VAL . . . . . 0.452 ' HB ' ' O ' ' A' ' 561' ' ' LEU . 24.5 t -120.86 122.31 67.47 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.933 0 N-CA-C 108.414 -0.958 . . . . 0.22 108.414 179.268 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 523' ' ' HIS . . . . . 0.414 ' HB2' ' OG ' ' A' ' 593' ' ' SER . 57.5 t60 -105.31 131.21 53.04 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 121.183 0.516 . . . . 0.44 110.532 -175.497 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 524' ' ' ILE . . . . . 0.478 HG23 HG12 ' A' ' 590' ' ' ILE . 31.3 mt -111.4 138.85 38.17 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.908 0 CA-C-N 115.138 -0.937 . . . . 0.19 108.509 178.519 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 525' ' ' CYS . . . . . 0.501 ' SG ' ' HB3' ' A' ' 589' ' ' LEU . 1.6 p -140.73 164.78 29.28 Favored 'General case' 0 C--N 1.313 -1.013 0 C-N-CA 120.458 -0.497 . . . . 1.17 111.608 -175.923 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 526' ' ' ASN . . . . . 0.415 ' HB2' ' O ' ' A' ' 525' ' ' CYS . 77.8 m-20 86.46 27.24 0.05 OUTLIER 'General case' 0 N--CA 1.469 0.516 0 O-C-N 125.0 1.437 . . . . 0.26 110.11 176.791 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 527' ' ' LEU . . . . . 0.44 ' HB3' ' SG ' ' A' ' 532' ' ' CYS . 80.6 mt -87.21 123.83 69.34 Favored Pre-proline 0 C--N 1.324 -0.509 0 CA-C-N 115.258 -0.883 . . . . 0.25 108.794 178.373 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 528' ' ' PRO . . . . . 0.403 ' HD3' ' HA ' ' A' ' 527' ' ' LEU . 9.4 Cg_exo -72.04 135.35 25.08 Favored 'Trans proline' 0 N--CA 1.461 -0.393 0 C-N-CA 121.756 1.638 . . . . 0.38 111.751 179.766 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 529' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -64.94 138.61 58.47 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 109.242 -0.651 . . . . 1.6 109.242 176.953 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 530' ' ' GLY . . . . . . . . . . . . . . . 87.81 5.01 78.45 Favored Glycine 0 N--CA 1.446 -0.689 0 C-N-CA 119.944 -1.122 . . . . 0.48 110.926 -172.336 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 531' ' ' SER . . . . . . . . . . . . . 56.8 m -153.5 7.68 0.37 Allowed 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.03 0.443 . . . . 1.08 110.51 -176.557 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 532' ' ' CYS . . . . . 0.519 ' HB2' ' HD2' ' A' ' 554' ' ' LYS . 60.6 m -88.61 78.64 7.73 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 108.17 -1.048 . . . . 0.25 108.17 175.316 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 533' ' ' THR . . . . . 0.466 ' O ' HG23 ' A' ' 537' ' ' VAL . 29.1 p -95.7 153.03 17.94 Favored 'General case' 0 C--N 1.315 -0.905 0 C-N-CA 119.611 -0.836 . . . . 0.35 109.258 -176.062 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 534' ' ' GLU . . . . . 0.527 ' HA ' HD11 ' A' ' 552' ' ' LEU . 2.2 mp0 -63.93 -33.96 76.9 Favored 'General case' 0 C--N 1.318 -0.771 0 N-CA-C 108.789 -0.819 . . . . 1.64 108.789 176.489 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 535' ' ' ASN . . . . . . . . . . . . . 66.4 t30 -64.47 -50.02 69.1 Favored 'General case' 0 C--O 1.213 -0.868 0 CA-C-N 114.982 -1.008 . . . . 1.82 111.009 -176.362 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 536' ' ' ASP . . . . . . . . . . . . . 46.9 m-20 -69.96 -44.82 68.7 Favored 'General case' 0 N--CA 1.472 0.643 0 CA-C-O 121.345 0.593 . . . . 0.61 111.396 -171.677 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 537' ' ' VAL . . . . . 0.466 HG23 ' O ' ' A' ' 533' ' ' THR . 39.2 t -59.85 -48.12 88.89 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 CA-C-N 115.052 -0.976 . . . . 0.15 109.738 -178.902 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 538' ' ' ILE . . . . . 0.642 HD11 ' CG ' ' A' ' 550' ' ' TYR . 62.1 mt -68.93 -33.42 59.02 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.721 0 CA-C-N 115.21 -0.905 . . . . 0.23 111.84 176.664 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 539' ' ' ASN . . . . . 0.409 ' HA ' HD11 ' A' ' 615' ' ' ILE . 95.8 m-20 -57.95 -27.67 63.62 Favored 'General case' 0 CA--C 1.51 -0.56 0 O-C-N 122.115 -0.365 . . . . 0.25 110.097 176.895 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 540' ' ' LEU . . . . . 0.475 HD11 HD12 ' A' ' 588' ' ' LEU . 81.8 mt -75.74 -41.93 51.91 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 109.916 -0.402 . . . . 0.27 109.916 174.545 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 541' ' ' GLY . . . . . 0.484 ' HA3' HD21 ' A' ' 561' ' ' LEU . . . -67.04 -52.71 30.81 Favored Glycine 0 CA--C 1.521 0.464 0 N-CA-C 115.537 0.975 . . . . 0.19 115.537 -178.929 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 542' ' ' LEU . . . . . 0.487 HD13 HG12 ' A' ' 612' ' ' ILE . 39.7 mt -56.17 -48.41 96.92 Favored Pre-proline 0 C--N 1.321 -0.647 0 N-CA-C 114.641 1.349 . . . . 0.2 114.641 -168.457 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 543' ' ' PRO . . . . . . . . . . . . . 48.6 Cg_exo -60.63 -24.5 78.63 Favored 'Trans proline' 0 C--N 1.347 0.455 0 C-N-CA 121.986 1.791 . . . . 0.23 113.565 -177.262 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 544' ' ' PHE . . . . . 0.443 ' HB2' ' HE2' ' A' ' 572' ' ' MET . 81.9 m-85 -99.17 -15.67 18.85 Favored 'General case' 0 C--O 1.235 0.325 0 O-C-N 121.851 -0.531 . . . . 0.33 111.25 177.335 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 545' ' ' GLY . . . . . 0.455 ' O ' ' HA ' ' A' ' 542' ' ' LEU . . . 178.74 152.54 10.52 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.691 -0.766 . . . . 0.44 112.651 -178.971 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 546' ' ' LYS . . . . . . . . . . . . . 62.4 tttp -65.44 124.01 21.15 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.09 0.471 . . . . 2.07 111.227 -178.343 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 547' ' ' VAL . . . . . 0.598 HG21 HG23 ' A' ' 538' ' ' ILE . 78.3 t -85.31 115.14 26.49 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.441 0 CA-C-N 115.507 -0.77 . . . . 0.2 110.39 177.335 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 548' ' ' THR . . . . . . . . . . . . . 22.4 p -93.78 -35.96 12.51 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 116.301 -0.409 . . . . 0.31 111.463 178.048 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 549' ' ' ASN . . . . . . . . . . . . . 92.4 m-20 -143.68 161.87 37.44 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.041 0.448 . . . . 1.26 110.685 178.81 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 550' ' ' TYR . . . . . 0.642 ' CG ' HD11 ' A' ' 538' ' ' ILE . 3.8 p90 -161.5 152.21 17.93 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.723 -0.671 . . . . 0.31 109.276 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 551' ' ' ILE . . . . . 0.525 ' HB ' ' HB2' ' A' ' 560' ' ' PHE . 49.5 mt -140.99 123.16 14.88 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 N-CA-C 108.372 -0.973 . . . . 0.22 108.372 -176.505 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 552' ' ' LEU . . . . . 0.527 HD11 ' HA ' ' A' ' 534' ' ' GLU . 20.6 mt -108.2 120.68 43.05 Favored 'General case' 0 C--N 1.316 -0.854 0 C-N-CA 120.082 -0.647 . . . . 0.43 111.063 -176.685 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 553' ' ' MET . . . . . 0.461 ' HE3' ' HB2' ' A' ' 558' ' ' GLN . 72.2 mtm -110.12 82.61 1.62 Allowed 'General case' 0 C--N 1.321 -0.662 0 C-N-CA 119.893 -0.723 . . . . 1.03 109.218 178.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 554' ' ' LYS . . . . . 0.519 ' HD2' ' HB2' ' A' ' 532' ' ' CYS . 23.0 mmtp -53.44 -28.8 32.11 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 114.839 -1.073 . . . . 1.03 112.136 174.099 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 555' ' ' SER . . . . . . . . . . . . . 60.7 p -70.41 -39.81 74.23 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 111.99 0.367 . . . . 0.51 111.99 -174.136 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 556' ' ' THR . . . . . . . . . . . . . 41.0 p -102.41 2.78 37.05 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 112.667 0.617 . . . . 0.45 112.667 -177.682 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 557' ' ' ASN . . . . . . . . . . . . . 4.2 m-20 59.21 39.1 23.16 Favored 'General case' 0 C--O 1.237 0.406 0 CA-C-O 121.708 0.766 . . . . 1.28 110.31 -175.573 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 558' ' ' GLN . . . . . 0.461 ' HB2' ' HE3' ' A' ' 553' ' ' MET . 70.4 mt-30 -140.34 165.1 28.31 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.231 -0.895 . . . . 0.84 109.648 -177.03 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 559' ' ' ALA . . . . . 0.414 ' HB1' HD23 ' A' ' 552' ' ' LEU . . . -157.68 165.98 34.02 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.104 0.478 . . . . 0.16 111.858 -177.603 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 560' ' ' PHE . . . . . 0.525 ' HB2' ' HB ' ' A' ' 551' ' ' ILE . 95.0 m-85 -119.31 149.84 41.13 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.97 -0.559 . . . . 0.35 110.721 176.606 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 561' ' ' LEU . . . . . 0.484 HD21 ' HA3' ' A' ' 541' ' ' GLY . 51.4 tp -136.65 119.5 16.28 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.891 -0.595 . . . . 0.2 110.198 -179.865 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 562' ' ' GLU . . . . . 0.543 ' HB2' HD12 ' A' ' 599' ' ' LEU . 33.3 tt0 -100.33 126.78 46.72 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.206 0.527 . . . . 2.09 110.527 178.8 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 563' ' ' MET . . . . . 0.625 ' SD ' ' HA ' ' A' ' 569' ' ' ALA . 33.2 mtt -115.45 150.1 37.0 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.34 -0.845 . . . . 0.39 109.416 -175.503 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 564' ' ' ALA . . . . . . . . . . . . . . . -76.24 -16.07 59.89 Favored 'General case' 0 C--N 1.328 -0.339 0 O-C-N 123.368 0.418 . . . . 0.5 111.977 -171.92 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 565' ' ' TYR . . . . . 0.503 ' HB3' ' HG2' ' A' ' 567' ' ' GLU . 79.7 m-85 -142.68 144.54 32.78 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.191 -0.459 . . . . 1.15 110.139 -179.0 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 566' ' ' THR . . . . . 0.409 ' O ' ' HG2' ' A' ' 570' ' ' GLN . 4.5 t -68.41 -26.6 65.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.737 -0.665 . . . . 0.57 110.059 -178.247 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 567' ' ' GLU . . . . . 0.503 ' HG2' ' HB3' ' A' ' 565' ' ' TYR . 8.9 pt-20 -57.22 -32.58 66.67 Favored 'General case' 0 C--N 1.334 -0.09 0 CA-C-N 115.663 -0.698 . . . . 0.89 110.428 175.336 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 568' ' ' ALA . . . . . 0.675 ' O ' ' HG3' ' A' ' 572' ' ' MET . . . -72.96 -43.62 62.06 Favored 'General case' 0 N--CA 1.448 -0.559 0 CA-C-N 116.034 -0.53 . . . . 0.26 110.044 -177.932 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 569' ' ' ALA . . . . . 0.625 ' HA ' ' SD ' ' A' ' 563' ' ' MET . . . -63.35 -46.88 84.51 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.783 -0.644 . . . . 0.24 111.357 -175.625 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 570' ' ' GLN . . . . . 0.467 ' O ' ' HG2' ' A' ' 574' ' ' GLN . 4.7 pt20 -70.06 -36.18 74.78 Favored 'General case' 0 C--N 1.325 -0.485 0 C-N-CA 120.712 -0.395 . . . . 1.24 110.77 -179.266 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 571' ' ' ALA . . . . . . . . . . . . . . . -62.64 -43.95 97.5 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.541 0.21 . . . . 0.31 110.955 178.904 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 572' ' ' MET . . . . . 0.675 ' HG3' ' O ' ' A' ' 568' ' ' ALA . 30.6 mtt -65.47 -44.39 87.28 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 110.137 -0.32 . . . . 0.47 110.137 179.249 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 573' ' ' VAL . . . . . 0.583 HG23 ' O ' ' A' ' 569' ' ' ALA . 97.8 t -59.05 -47.02 91.36 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.494 -0.321 . . . . 0.34 110.14 177.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 574' ' ' GLN . . . . . 0.467 ' HG2' ' O ' ' A' ' 570' ' ' GLN . 31.0 mm-40 -61.49 -40.37 94.33 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.465 -0.334 . . . . 2.09 110.965 179.85 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 575' ' ' TYR . . . . . . . . . . . . . 84.3 t80 -68.65 -52.6 29.46 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.131 -0.486 . . . . 0.48 111.0 -179.017 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 576' ' ' TYR . . . . . 0.529 ' CE2' HD12 ' A' ' 590' ' ' ILE . 61.1 m-85 -72.71 -13.35 61.32 Favored 'General case' 0 N--CA 1.464 0.246 0 N-CA-C 112.804 0.668 . . . . 0.36 112.804 -176.518 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 577' ' ' GLN . . . . . 0.566 ' HG3' ' O ' ' A' ' 573' ' ' VAL . 93.8 mt-30 -68.77 -41.35 78.93 Favored 'General case' 0 C--N 1.326 -0.416 0 C-N-CA 120.341 -0.543 . . . . 1.89 109.658 169.671 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 578' ' ' GLU . . . . . . . . . . . . . 30.4 mm-40 -86.36 -38.95 16.92 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.824 -0.625 . . . . 2.14 111.123 179.876 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 579' ' ' LYS . . . . . 0.489 ' O ' ' HA ' ' A' ' 576' ' ' TYR . 26.7 mtpp -135.53 90.47 20.07 Favored Pre-proline 0 C--N 1.323 -0.568 0 CA-C-N 116.432 -0.349 . . . . 2.46 110.233 176.167 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 580' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_endo -64.78 160.74 39.23 Favored 'Trans proline' 0 N--CA 1.462 -0.35 0 C-N-CA 122.276 1.984 . . . . 0.37 111.608 177.884 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 581' ' ' ALA . . . . . 0.502 ' O ' ' HG ' ' A' ' 588' ' ' LEU . . . -91.06 130.26 36.98 Favored 'General case' 0 C--N 1.323 -0.587 0 N-CA-C 109.318 -0.623 . . . . 0.27 109.318 178.887 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 582' ' ' ILE . . . . . . . . . . . . . 48.8 mt -102.91 121.76 54.47 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.759 0 CA-C-O 120.736 0.303 . . . . 0.51 111.374 -172.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 583' ' ' ILE . . . . . . . . . . . . . 30.8 mm -127.96 113.7 31.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 N-CA-C 109.654 -0.499 . . . . 0.51 109.654 176.126 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 584' ' ' ASN . . . . . . . . . . . . . 86.3 m-20 58.14 33.77 23.5 Favored 'General case' 0 N--CA 1.467 0.415 0 CA-C-O 121.132 0.491 . . . . 1.1 110.578 -178.776 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 585' ' ' GLY . . . . . . . . . . . . . . . 84.02 3.83 88.85 Favored Glycine 0 N--CA 1.444 -0.791 0 CA-C-N 115.561 -0.745 . . . . 0.44 113.666 176.854 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 586' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -106.85 126.22 52.03 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 117.344 0.572 . . . . 1.79 110.473 177.801 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 587' ' ' LYS . . . . . . . . . . . . . 59.6 mttp -75.92 121.98 23.47 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.608 -0.724 . . . . 1.67 111.13 177.774 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 588' ' ' LEU . . . . . 0.502 ' HG ' ' O ' ' A' ' 581' ' ' ALA . 49.4 mt -80.74 137.26 36.26 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 116.028 -0.533 . . . . 0.24 110.821 -179.181 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 589' ' ' LEU . . . . . 0.501 ' HB3' ' SG ' ' A' ' 525' ' ' CYS . 56.0 tp -112.3 112.14 23.51 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.7 -0.682 . . . . 0.38 110.399 -179.251 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 590' ' ' ILE . . . . . 0.529 HD12 ' CE2' ' A' ' 576' ' ' TYR . 18.6 mt -104.91 118.91 53.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 116.254 -0.43 . . . . 0.26 110.104 177.08 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 591' ' ' ARG . . . . . . . . . . . . . 38.9 mtm180 -146.22 165.78 28.17 Favored 'General case' 0 N--CA 1.463 0.203 0 CA-C-O 120.67 0.271 . . . . 2.62 110.571 179.553 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 592' ' ' MET . . . . . . . . . . . . . 64.9 mtt -81.71 129.02 34.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.257 -0.429 . . . . 0.34 110.194 -176.126 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 593' ' ' SER . . . . . 0.414 ' OG ' ' HB2' ' A' ' 523' ' ' HIS . 28.0 m -69.21 136.42 52.01 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.35 0.595 . . . . 1.37 111.576 -177.182 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 594' ' ' THR . . . . . . . . . . . . . 22.9 p -90.53 -10.17 44.52 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 114.944 -1.025 . . . . 0.38 111.746 -177.278 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 595' ' ' ARG . . . . . . . . . . . . . 97.8 mtt180 -102.61 -28.62 12.04 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 112.561 0.578 . . . . 2.75 112.561 -172.14 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 596' ' ' TYR . . . . . . . . . . . . . 81.1 m-85 -125.68 146.1 49.88 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.198 0.523 . . . . 0.65 112.267 -173.637 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 597' ' ' LYS . . . . . . . . . . . . . 49.1 mtmt -109.6 -7.77 15.07 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.454 -0.793 . . . . 2.18 111.857 177.56 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 598' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -142.82 148.92 37.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.107 0.479 . . . . 0.95 110.943 177.33 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 599' ' ' LEU . . . . . 0.9 HD21 HG13 ' A' ' 521' ' ' VAL . 37.3 mt -107.14 122.22 46.06 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.396 -0.82 . . . . 0.45 111.06 174.832 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 600' ' ' GLN . . . . . . . . . . . . . 49.5 tt0 -113.07 119.34 37.51 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.389 -0.823 . . . . 1.52 110.363 -177.751 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 601' ' ' LEU . . . . . . . . . . . . . 30.5 mt -79.32 78.08 5.83 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.986 0.422 . . . . 0.46 111.0 179.538 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 602' ' ' LYS . . . . . . . . . . . . . 56.7 mtmt -68.98 -20.24 64.17 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.812 -0.631 . . . . 1.73 109.901 176.351 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 603' ' ' LYS . . . . . . . . . . . . . 33.6 mmtp . . . . . 0 C--N 1.324 -0.514 0 N-CA-C 108.768 -0.827 . . . . 1.69 108.768 171.535 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 607' ' ' ASN . . . . . . . . . . . . . 28.5 t-20 . . . . . 0 C--O 1.233 0.233 0 CA-C-O 121.149 0.5 . . . . 1.33 111.779 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 608' ' ' VAL . . . . . 0.551 HG11 ' HB ' ' A' ' 547' ' ' VAL . 93.2 t -88.1 -24.79 6.08 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.429 0 CA-C-N 115.607 -0.724 . . . . 0.3 111.898 -175.465 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 609' ' ' ALA . . . . . . . . . . . . . . . -61.14 -36.63 80.28 Favored 'General case' 0 C--O 1.237 0.426 0 CA-C-O 121.384 0.611 . . . . 0.44 110.956 178.482 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 610' ' ' ALA . . . . . . . . . . . . . . . -61.82 -28.22 69.32 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.794 -0.639 . . . . 0.4 110.305 176.227 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 611' ' ' ILE . . . . . 0.438 ' CD1' HD12 ' A' ' 538' ' ' ILE . 72.6 mt -71.88 -32.2 43.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 115.575 -0.739 . . . . 0.25 110.015 178.929 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 612' ' ' ILE . . . . . 0.487 HG12 HD13 ' A' ' 542' ' ' LEU . 48.8 mt -60.5 -44.72 97.07 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.244 0 CA-C-O 121.248 0.547 . . . . 0.31 109.677 175.189 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 613' ' ' GLN . . . . . . . . . . . . . 12.5 mm100 -68.45 -29.46 68.11 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.71 -0.677 . . . . 2.31 110.19 177.614 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 614' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -65.65 -41.12 92.93 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.533 -0.758 . . . . 1.95 109.672 177.269 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 615' ' ' ILE . . . . . 0.45 ' CD1' ' HB2' ' A' ' 542' ' ' LEU . 88.5 mt -61.02 -43.71 96.7 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.168 0 CA-C-O 121.009 0.433 . . . . 0.35 110.3 174.768 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 616' ' ' HIS . . . . . . . . . . . . . 81.3 m-70 -63.37 -26.22 68.65 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.685 -0.688 . . . . 1.26 110.909 177.769 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 617' ' ' SER . . . . . . . . . . . . . 34.7 m . . . . . 0 C--N 1.325 -0.475 0 CA-C-N 116.256 -0.429 . . . . 1.18 110.86 174.626 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 520' ' ' ARG . . . . . . . . . . . . . 15.8 mtm-85 . . . . . 0 N--CA 1.45 -0.448 0 CA-C-O 120.767 0.318 . . . . 2.22 110.262 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 521' ' ' VAL . . . . . 0.718 HG13 HD21 ' A' ' 599' ' ' LEU . 63.5 t -118.65 120.41 64.08 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 CA-C-N 116.087 -0.506 . . . . 0.32 110.418 168.743 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 522' ' ' VAL . . . . . 0.547 ' HB ' ' O ' ' A' ' 561' ' ' LEU . 26.1 t -120.27 122.11 67.44 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.867 0 N-CA-C 107.753 -1.203 . . . . 0.22 107.753 175.693 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 523' ' ' HIS . . . . . 0.413 ' HB2' ' OG ' ' A' ' 593' ' ' SER . 59.4 t-80 -105.44 133.56 49.99 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 121.096 0.474 . . . . 0.44 110.585 -173.21 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 524' ' ' ILE . . . . . 0.438 HG23 HG12 ' A' ' 590' ' ' ILE . 23.0 mt -110.9 137.33 43.81 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.907 0 N-CA-C 108.445 -0.946 . . . . 0.19 108.445 177.092 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 525' ' ' CYS . . . . . 0.437 ' O ' ' HB2' ' A' ' 526' ' ' ASN . 0.0 OUTLIER -132.47 158.39 42.17 Favored 'General case' 0 C--N 1.316 -0.881 0 C-N-CA 120.665 -0.414 . . . . 1.17 110.97 -172.761 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 526' ' ' ASN . . . . . 0.437 ' HB2' ' O ' ' A' ' 525' ' ' CYS . 84.8 m-20 84.94 29.29 0.06 Allowed 'General case' 0 N--CA 1.469 0.476 0 O-C-N 124.748 1.28 . . . . 0.26 110.913 172.555 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 527' ' ' LEU . . . . . 0.457 ' HB3' ' SG ' ' A' ' 532' ' ' CYS . 80.2 mt -85.03 123.3 73.75 Favored Pre-proline 0 C--N 1.323 -0.546 0 N-CA-C 109.111 -0.7 . . . . 0.25 109.111 177.643 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 528' ' ' PRO . . . . . 0.413 ' HD3' ' HA ' ' A' ' 527' ' ' LEU . 3.1 Cg_exo -75.04 134.68 18.03 Favored 'Trans proline' 0 N--CA 1.459 -0.519 0 C-N-CA 121.841 1.694 . . . . 0.38 111.824 179.05 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 529' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -65.3 139.59 58.61 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 109.499 -0.556 . . . . 1.6 109.499 175.455 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 530' ' ' GLY . . . . . . . . . . . . . . . 90.54 4.71 70.11 Favored Glycine 0 N--CA 1.444 -0.785 0 N-CA-C 110.592 -1.003 . . . . 0.48 110.592 -171.25 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 531' ' ' SER . . . . . . . . . . . . . 66.7 m -156.14 2.4 0.16 Allowed 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.142 0.496 . . . . 1.08 110.212 -174.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 532' ' ' CYS . . . . . 0.489 ' HB2' ' HD2' ' A' ' 554' ' ' LYS . 69.9 m -85.84 79.08 9.38 Favored 'General case' 0 CA--C 1.51 -0.559 0 N-CA-C 108.495 -0.928 . . . . 0.25 108.495 176.335 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 533' ' ' THR . . . . . 0.518 ' O ' HG23 ' A' ' 537' ' ' VAL . 33.6 p -96.4 151.15 19.82 Favored 'General case' 0 C--N 1.315 -0.897 0 C-N-CA 119.761 -0.776 . . . . 0.35 108.957 -178.819 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 534' ' ' GLU . . . . . 0.497 ' N ' HD11 ' A' ' 552' ' ' LEU . 42.7 mt-10 -65.8 -34.48 78.27 Favored 'General case' 0 C--N 1.316 -0.849 0 N-CA-C 108.831 -0.803 . . . . 1.64 108.831 176.226 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 535' ' ' ASN . . . . . . . . . . . . . 5.9 t-20 -64.84 -47.0 79.53 Favored 'General case' 0 C--O 1.216 -0.685 0 CA-C-N 114.626 -1.17 . . . . 1.82 111.159 -177.04 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 536' ' ' ASP . . . . . 0.41 ' HA ' ' ND2' ' A' ' 539' ' ' ASN . 10.6 m-20 -69.69 -44.21 70.91 Favored 'General case' 0 N--CA 1.477 0.921 0 CA-C-O 121.401 0.62 . . . . 0.61 111.408 -175.425 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 537' ' ' VAL . . . . . 0.518 HG23 ' O ' ' A' ' 533' ' ' THR . 46.5 t -59.74 -45.77 94.21 Favored 'Isoleucine or valine' 0 C--O 1.241 0.615 0 CA-C-N 115.037 -0.983 . . . . 0.15 109.779 179.777 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 538' ' ' ILE . . . . . 0.665 HG23 HG21 ' A' ' 547' ' ' VAL . 38.3 mt -68.05 -32.61 56.88 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.815 0 CA-C-N 115.124 -0.944 . . . . 0.23 111.385 174.609 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 539' ' ' ASN . . . . . 0.454 ' HA ' HD11 ' A' ' 615' ' ' ILE . 96.8 m-20 -57.92 -27.45 63.36 Favored 'General case' 0 CA--C 1.514 -0.43 0 N-CA-C 110.231 -0.285 . . . . 0.25 110.231 176.291 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 540' ' ' LEU . . . . . 0.421 HD11 HD12 ' A' ' 588' ' ' LEU . 88.2 mt -75.58 -41.46 54.55 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 109.518 -0.549 . . . . 0.27 109.518 174.098 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 541' ' ' GLY . . . . . 0.502 ' CA ' HD21 ' A' ' 561' ' ' LEU . . . -66.52 -52.63 33.53 Favored Glycine 0 CA--C 1.525 0.718 0 N-CA-C 116.021 1.168 . . . . 0.19 116.021 -178.936 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 542' ' ' LEU . . . . . 0.546 ' HB2' ' CD1' ' A' ' 615' ' ' ILE . 51.3 mt -58.02 -45.42 99.77 Favored Pre-proline 0 C--N 1.321 -0.633 0 N-CA-C 114.981 1.474 . . . . 0.2 114.981 -168.131 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 543' ' ' PRO . . . . . 0.409 ' HG3' HG21 ' A' ' 615' ' ' ILE . 52.3 Cg_exo -59.7 -25.61 79.6 Favored 'Trans proline' 0 C--N 1.349 0.577 0 C-N-CA 122.053 1.835 . . . . 0.23 113.654 -177.221 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 544' ' ' PHE . . . . . 0.405 ' HB2' ' HE2' ' A' ' 572' ' ' MET . 92.8 m-85 -99.92 -15.65 18.27 Favored 'General case' 0 C--O 1.233 0.19 0 O-C-N 121.985 -0.447 . . . . 0.33 111.203 178.183 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 545' ' ' GLY . . . . . 0.506 ' O ' ' HA ' ' A' ' 542' ' ' LEU . . . 177.57 157.19 17.93 Favored Glycine 0 C--O 1.226 -0.395 0 C-N-CA 120.789 -0.72 . . . . 0.44 112.258 179.512 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 546' ' ' LYS . . . . . . . . . . . . . 66.5 tttm -66.11 126.84 29.91 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.926 0.393 . . . . 2.07 110.944 -179.299 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 547' ' ' VAL . . . . . 0.665 HG21 HG23 ' A' ' 538' ' ' ILE . 72.2 t -83.14 115.43 25.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-N 115.808 -0.633 . . . . 0.2 110.616 178.087 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 548' ' ' THR . . . . . . . . . . . . . 22.6 p -93.21 -35.51 13.09 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 116.095 -0.502 . . . . 0.31 111.606 178.925 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 549' ' ' ASN . . . . . 0.478 ' HB2' ' HB2' ' A' ' 562' ' ' GLU . 31.7 m-80 -145.49 158.39 43.85 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.946 0.403 . . . . 1.26 110.782 -179.769 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 550' ' ' TYR . . . . . 0.574 ' CG ' HD11 ' A' ' 538' ' ' ILE . 5.3 p90 -161.59 150.3 15.74 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.803 -0.635 . . . . 0.31 109.8 -179.901 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 551' ' ' ILE . . . . . 0.452 ' HB ' ' HB2' ' A' ' 560' ' ' PHE . 66.9 mt -144.69 124.53 7.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 N-CA-C 108.551 -0.907 . . . . 0.22 108.551 -176.116 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 552' ' ' LEU . . . . . 0.497 HD11 ' N ' ' A' ' 534' ' ' GLU . 29.6 mt -106.97 121.16 43.9 Favored 'General case' 0 C--N 1.316 -0.872 0 C-N-CA 120.322 -0.551 . . . . 0.43 111.137 -177.862 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 553' ' ' MET . . . . . . . . . . . . . 67.2 mtm -109.11 82.32 1.58 Allowed 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 109.211 -0.663 . . . . 1.03 109.211 177.971 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 554' ' ' LYS . . . . . 0.489 ' HD2' ' HB2' ' A' ' 532' ' ' CYS . 23.9 mmtp -53.15 -29.4 31.08 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 114.677 -1.147 . . . . 1.03 112.873 175.726 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 555' ' ' SER . . . . . . . . . . . . . 65.1 p -67.72 -41.42 83.54 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.893 0.378 . . . . 0.51 111.274 -173.871 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 556' ' ' THR . . . . . 0.404 ' O ' ' HG3' ' A' ' 558' ' ' GLN . 44.0 p -99.3 1.44 44.55 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.325 -0.398 . . . . 0.45 111.821 -177.201 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 557' ' ' ASN . . . . . . . . . . . . . 81.3 m-20 59.54 40.43 20.43 Favored 'General case' 0 N--CA 1.467 0.385 0 CA-C-O 121.694 0.759 . . . . 1.28 110.081 -175.462 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 558' ' ' GLN . . . . . 0.404 ' HG3' ' O ' ' A' ' 556' ' ' THR . 72.3 mt-30 -139.69 166.0 25.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.067 -0.969 . . . . 0.84 109.575 -176.069 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 559' ' ' ALA . . . . . . . . . . . . . . . -157.91 166.71 31.94 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.109 0.48 . . . . 0.16 112.173 -178.293 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 560' ' ' PHE . . . . . 0.452 ' HB2' ' HB ' ' A' ' 551' ' ' ILE . 97.7 m-85 -118.82 145.31 45.75 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.5 -0.773 . . . . 0.35 110.569 176.809 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 561' ' ' LEU . . . . . 0.547 ' O ' ' HB ' ' A' ' 522' ' ' VAL . 62.1 tp -136.62 119.45 16.25 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.065 -0.516 . . . . 0.2 110.348 179.758 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 562' ' ' GLU . . . . . 0.478 ' HB2' ' HB2' ' A' ' 549' ' ' ASN . 0.1 OUTLIER -101.17 135.82 42.03 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.844 -0.616 . . . . 2.09 110.307 178.72 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 563' ' ' MET . . . . . 0.61 ' SD ' ' HA ' ' A' ' 569' ' ' ALA . 35.1 mtt -124.45 149.02 47.26 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.541 -0.754 . . . . 0.39 109.101 -171.672 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 564' ' ' ALA . . . . . . . . . . . . . . . -71.32 -16.28 62.44 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.874 0.368 . . . . 0.5 111.722 -171.659 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 565' ' ' TYR . . . . . 0.469 ' HB3' ' HG2' ' A' ' 567' ' ' GLU . 98.7 m-85 -141.23 144.06 34.5 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 116.138 -0.483 . . . . 1.15 110.12 -178.094 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 566' ' ' THR . . . . . . . . . . . . . 6.8 t -67.62 -26.74 66.4 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.862 -0.608 . . . . 0.57 109.821 177.664 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 567' ' ' GLU . . . . . 0.469 ' HG2' ' HB3' ' A' ' 565' ' ' TYR . 12.0 pt-20 -58.25 -32.53 68.44 Favored 'General case' 0 C--N 1.334 -0.075 0 CA-C-N 115.596 -0.729 . . . . 0.89 110.449 176.02 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 568' ' ' ALA . . . . . 0.654 ' O ' ' HG3' ' A' ' 572' ' ' MET . . . -73.33 -42.96 61.67 Favored 'General case' 0 N--CA 1.449 -0.485 0 CA-C-N 115.846 -0.616 . . . . 0.26 109.876 -178.38 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 569' ' ' ALA . . . . . 0.61 ' HA ' ' SD ' ' A' ' 563' ' ' MET . . . -63.47 -46.1 87.75 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.841 -0.618 . . . . 0.24 111.045 -176.648 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 570' ' ' GLN . . . . . . . . . . . . . 13.5 pt20 -69.07 -35.97 77.12 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.124 -0.489 . . . . 1.24 110.59 -179.09 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 571' ' ' ALA . . . . . . . . . . . . . . . -63.58 -44.8 93.02 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-N 116.397 -0.365 . . . . 0.31 110.914 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 572' ' ' MET . . . . . 0.654 ' HG3' ' O ' ' A' ' 568' ' ' ALA . 34.7 mtt -64.5 -46.78 81.49 Favored 'General case' 0 CA--C 1.517 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.47 110.314 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 573' ' ' VAL . . . . . 0.659 ' O ' ' HG2' ' A' ' 577' ' ' GLN . 69.0 t -58.84 -48.17 87.07 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.285 0 C-N-CA 120.982 -0.287 . . . . 0.34 110.345 -179.44 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 574' ' ' GLN . . . . . . . . . . . . . 49.9 mt-30 -60.9 -38.73 86.71 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.797 0.332 . . . . 2.09 110.78 -179.874 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 575' ' ' TYR . . . . . . . . . . . . . 66.6 t80 -68.57 -52.45 31.6 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.934 -0.576 . . . . 0.48 110.749 -179.154 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 576' ' ' TYR . . . . . 0.592 ' CE2' HD12 ' A' ' 590' ' ' ILE . 61.3 m-85 -73.8 -13.58 60.96 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 112.652 0.612 . . . . 0.36 112.652 -176.918 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 577' ' ' GLN . . . . . 0.659 ' HG2' ' O ' ' A' ' 573' ' ' VAL . 15.9 mm-40 -64.56 -42.6 95.58 Favored 'General case' 0 C--N 1.331 -0.23 0 N-CA-C 109.166 -0.679 . . . . 1.89 109.166 171.219 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 578' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -91.92 -39.61 11.61 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.609 -0.723 . . . . 2.14 111.863 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 579' ' ' LYS . . . . . . . . . . . . . 94.6 mttt -129.51 85.67 58.13 Favored Pre-proline 0 C--N 1.328 -0.366 0 N-CA-C 110.142 -0.318 . . . . 2.46 110.142 178.39 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 580' ' ' PRO . . . . . . . . . . . . . 36.2 Cg_endo -65.71 160.67 42.43 Favored 'Trans proline' 0 CA--C 1.527 0.157 0 C-N-CA 122.604 2.202 . . . . 0.37 112.047 -179.623 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 581' ' ' ALA . . . . . 0.478 ' O ' ' HG ' ' A' ' 588' ' ' LEU . . . -90.82 130.33 36.8 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 109.465 -0.568 . . . . 0.27 109.465 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 582' ' ' ILE . . . . . . . . . . . . . 59.2 mt -105.46 121.3 57.45 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 CA-C-O 120.814 0.34 . . . . 0.51 111.711 -172.71 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 583' ' ' ILE . . . . . . . . . . . . . 33.2 mm -125.01 114.09 38.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 115.755 -0.657 . . . . 0.51 109.508 175.929 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 584' ' ' ASN . . . . . . . . . . . . . 67.7 m-20 58.63 32.7 22.44 Favored 'General case' 0 N--CA 1.469 0.485 0 CA-C-O 121.251 0.548 . . . . 1.1 110.225 -177.131 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 585' ' ' GLY . . . . . . . . . . . . . . . 83.76 3.17 89.61 Favored Glycine 0 N--CA 1.443 -0.842 0 CA-C-N 115.708 -0.678 . . . . 0.44 113.391 179.223 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 586' ' ' GLU . . . . . . . . . . . . . 8.6 mm-40 -101.13 125.46 47.75 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 117.262 0.531 . . . . 1.79 110.407 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 587' ' ' LYS . . . . . . . . . . . . . 95.7 mttt -76.47 116.35 17.07 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.72 -0.673 . . . . 1.67 111.413 177.854 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 588' ' ' LEU . . . . . 0.478 ' HG ' ' O ' ' A' ' 581' ' ' ALA . 43.8 mt -79.56 136.52 36.89 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.03 -0.532 . . . . 0.24 110.193 179.679 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 589' ' ' LEU . . . . . . . . . . . . . 41.4 tp -112.67 111.74 22.76 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 116.048 -0.523 . . . . 0.38 110.612 -179.233 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 590' ' ' ILE . . . . . 0.592 HD12 ' CE2' ' A' ' 576' ' ' TYR . 20.5 mt -102.0 118.93 49.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 N-CA-C 109.902 -0.407 . . . . 0.26 109.902 176.598 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 591' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -147.29 166.0 28.39 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.924 0.392 . . . . 2.62 110.688 -178.316 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 592' ' ' MET . . . . . . . . . . . . . 61.8 mtt -81.9 144.22 31.12 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.012 -0.54 . . . . 0.34 110.118 -177.002 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 593' ' ' SER . . . . . 0.413 ' OG ' ' HB2' ' A' ' 523' ' ' HIS . 20.0 m -94.14 137.82 32.89 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.666 0.746 . . . . 1.37 112.843 -172.334 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 594' ' ' THR . . . . . . . . . . . . . 18.1 p -91.78 -17.49 25.28 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 114.453 -1.249 . . . . 0.38 112.631 -177.166 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 595' ' ' ARG . . . . . . . . . . . . . 94.4 mtt180 -100.08 -28.99 12.77 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 112.395 0.517 . . . . 2.75 112.395 -167.633 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 596' ' ' TYR . . . . . . . . . . . . . 42.0 m-85 -124.46 149.3 46.96 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.989 0.423 . . . . 0.65 111.807 -178.37 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 597' ' ' LYS . . . . . . . . . . . . . 71.8 mmtt -109.55 -12.67 14.66 Favored 'General case' 0 C--O 1.222 -0.352 0 CA-C-N 115.564 -0.744 . . . . 2.18 111.839 179.89 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 598' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -142.84 151.9 41.6 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.079 0.466 . . . . 0.95 111.143 -177.3 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 599' ' ' LEU . . . . . 0.718 HD21 HG13 ' A' ' 521' ' ' VAL . 62.9 mt -116.24 122.8 46.04 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.428 -0.805 . . . . 0.45 110.675 176.31 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 600' ' ' GLN . . . . . . . . . . . . . 30.0 tt0 -112.6 132.77 54.98 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.737 -0.665 . . . . 1.52 110.0 178.059 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 601' ' ' LEU . . . . . . . . . . . . . 60.6 mt -82.17 92.95 6.97 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.913 0.387 . . . . 0.46 111.061 -179.415 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 602' ' ' LYS . . . . . . . . . . . . . 9.1 mtpm? -77.41 -17.74 57.88 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.096 0.474 . . . . 1.73 110.063 175.122 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 603' ' ' LYS . . . . . . . . . . . . . 34.7 mmtp . . . . . 0 C--N 1.325 -0.466 0 CA-C-N 115.775 -0.648 . . . . 1.69 109.737 177.663 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 607' ' ' ASN . . . . . . . . . . . . . 31.5 t30 . . . . . 0 C--O 1.233 0.194 0 CA-C-O 121.221 0.534 . . . . 1.33 111.067 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 608' ' ' VAL . . . . . 0.532 HG11 ' HB ' ' A' ' 547' ' ' VAL . 57.9 t -79.74 -21.14 12.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 115.505 -0.771 . . . . 0.3 110.885 -177.095 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 609' ' ' ALA . . . . . . . . . . . . . . . -66.1 -36.17 82.45 Favored 'General case' 0 C--O 1.236 0.377 0 CA-C-O 121.499 0.666 . . . . 0.44 110.705 176.745 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 610' ' ' ALA . . . . . . . . . . . . . . . -63.75 -26.87 68.84 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.741 -0.663 . . . . 0.4 109.999 177.813 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 611' ' ' ILE . . . . . 0.419 ' CD1' HD12 ' A' ' 538' ' ' ILE . 70.0 mt -70.56 -30.85 44.25 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.406 0 CA-C-N 115.393 -0.821 . . . . 0.25 109.714 177.825 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 612' ' ' ILE . . . . . 0.478 ' CG1' HD13 ' A' ' 542' ' ' LEU . 66.9 mt -60.5 -40.49 84.48 Favored 'Isoleucine or valine' 0 C--O 1.233 0.234 0 N-CA-C 109.526 -0.546 . . . . 0.31 109.526 172.312 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 613' ' ' GLN . . . . . . . . . . . . . 32.6 mm-40 -62.67 -34.66 77.55 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.806 -0.633 . . . . 2.31 110.274 175.825 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 614' ' ' ASP . . . . . . . . . . . . . 40.1 m-20 -66.26 -43.59 86.04 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.769 -0.651 . . . . 1.95 110.439 178.775 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 615' ' ' ILE . . . . . 0.546 ' CD1' ' HB2' ' A' ' 542' ' ' LEU . 88.3 mt -61.27 -44.74 98.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.364 -0.38 . . . . 0.35 110.668 177.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 616' ' ' HIS . . . . . . . . . . . . . 9.8 m-70 -63.03 -30.36 71.54 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.031 -0.531 . . . . 1.26 110.757 177.84 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 617' ' ' SER . . . . . . . . . . . . . 31.4 t . . . . . 0 C--N 1.326 -0.434 0 CA-C-N 115.939 -0.573 . . . . 1.18 110.775 178.199 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 520' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.45 -0.431 0 N-CA-C 109.591 -0.522 . . . . 2.22 109.591 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 521' ' ' VAL . . . . . 0.843 HG13 HD21 ' A' ' 599' ' ' LEU . 89.2 t -117.1 121.39 67.64 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.813 0 CA-C-N 115.784 -0.644 . . . . 0.32 110.733 172.04 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 522' ' ' VAL . . . . . . . . . . . . . 22.8 t -121.64 121.35 64.21 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.823 0 N-CA-C 108.546 -0.909 . . . . 0.22 108.546 179.521 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 523' ' ' HIS . . . . . . . . . . . . . 33.4 t-80 -106.19 134.05 49.93 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.093 0.473 . . . . 0.44 109.992 -176.179 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 524' ' ' ILE . . . . . 0.449 HG23 HG12 ' A' ' 590' ' ' ILE . 28.5 mt -111.75 143.02 22.38 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.963 0 N-CA-C 108.684 -0.858 . . . . 0.19 108.684 178.559 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 525' ' ' CYS . . . . . 0.584 ' SG ' ' HB3' ' A' ' 589' ' ' LEU . 7.6 p -139.7 164.28 30.34 Favored 'General case' 0 C--N 1.314 -0.938 0 C-N-CA 120.68 -0.408 . . . . 1.17 111.299 -178.114 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 526' ' ' ASN . . . . . 0.437 ' HB2' ' O ' ' A' ' 525' ' ' CYS . 83.9 m-20 86.9 27.38 0.04 OUTLIER 'General case' 0 N--CA 1.47 0.536 0 O-C-N 124.863 1.352 . . . . 0.26 110.706 174.766 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 527' ' ' LEU . . . . . . . . . . . . . 80.1 mt -84.26 124.18 74.26 Favored Pre-proline 0 C--N 1.325 -0.469 0 N-CA-C 109.011 -0.737 . . . . 0.25 109.011 177.161 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 528' ' ' PRO . . . . . . . . . . . . . 7.6 Cg_exo -71.99 135.2 24.9 Favored 'Trans proline' 0 N--CA 1.459 -0.522 0 C-N-CA 121.56 1.507 . . . . 0.38 111.614 -179.666 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 529' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -65.19 138.85 58.52 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 116.003 -0.544 . . . . 1.6 110.089 177.638 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 530' ' ' GLY . . . . . . . . . . . . . . . 85.9 5.15 84.05 Favored Glycine 0 N--CA 1.444 -0.799 0 C-N-CA 120.053 -1.07 . . . . 0.48 110.559 -173.726 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 531' ' ' SER . . . . . . . . . . . . . 57.7 m -150.53 6.7 0.56 Allowed 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.192 0.52 . . . . 1.08 110.176 -174.626 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 532' ' ' CYS . . . . . . . . . . . . . 62.0 m -87.94 86.03 7.08 Favored 'General case' 0 CA--C 1.515 -0.397 0 N-CA-C 109.132 -0.692 . . . . 0.25 109.132 177.958 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 533' ' ' THR . . . . . 0.539 ' O ' HG23 ' A' ' 537' ' ' VAL . 29.1 p -99.76 151.85 20.78 Favored 'General case' 0 N--CA 1.443 -0.803 0 C-N-CA 119.837 -0.745 . . . . 0.35 109.04 -178.661 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 534' ' ' GLU . . . . . 0.572 ' N ' HD11 ' A' ' 552' ' ' LEU . 48.0 mt-10 -66.13 -34.05 77.17 Favored 'General case' 0 C--N 1.317 -0.81 0 N-CA-C 108.539 -0.912 . . . . 1.64 108.539 175.029 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 535' ' ' ASN . . . . . . . . . . . . . 14.4 t-20 -61.14 -49.84 75.62 Favored 'General case' 0 C--O 1.219 -0.526 0 CA-C-N 114.272 -1.331 . . . . 1.82 112.12 -176.88 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 536' ' ' ASP . . . . . . . . . . . . . 12.5 m-20 -69.63 -44.2 71.15 Favored 'General case' 0 N--CA 1.472 0.658 0 CA-C-O 121.629 0.728 . . . . 0.61 111.058 -174.396 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 537' ' ' VAL . . . . . 0.539 HG23 ' O ' ' A' ' 533' ' ' THR . 33.2 t -60.08 -47.66 91.02 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.776 0 CA-C-N 114.528 -1.214 . . . . 0.15 109.75 -178.615 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 538' ' ' ILE . . . . . 0.617 HD11 ' CG ' ' A' ' 550' ' ' TYR . 66.6 mt -68.39 -34.06 63.77 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.664 0 CA-C-N 115.347 -0.842 . . . . 0.23 111.575 176.029 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 539' ' ' ASN . . . . . 0.579 ' HA ' HD11 ' A' ' 615' ' ' ILE . 95.3 m-20 -58.31 -27.02 63.71 Favored 'General case' 0 CA--C 1.512 -0.513 0 C-N-CA 120.966 -0.294 . . . . 0.25 110.521 177.558 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 540' ' ' LEU . . . . . 0.506 HD11 HD12 ' A' ' 588' ' ' LEU . 83.0 mt -76.05 -42.01 48.92 Favored 'General case' 0 C--N 1.324 -0.533 0 C-N-CA 120.724 -0.39 . . . . 0.27 110.271 173.736 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 541' ' ' GLY . . . . . 0.559 ' CA ' HD21 ' A' ' 561' ' ' LEU . . . -61.13 -49.92 72.92 Favored Glycine 0 CA--C 1.523 0.593 0 N-CA-C 115.772 1.069 . . . . 0.19 115.772 179.87 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 542' ' ' LEU . . . . . 0.496 ' HA ' ' O ' ' A' ' 545' ' ' GLY . 74.8 mt -63.62 -41.3 64.89 Favored Pre-proline 0 C--N 1.319 -0.744 0 N-CA-C 115.219 1.563 . . . . 0.2 115.219 -168.541 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 543' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_exo -61.0 -26.82 83.84 Favored 'Trans proline' 0 CA--C 1.531 0.348 0 C-N-CA 121.565 1.51 . . . . 0.23 113.851 -179.026 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 544' ' ' PHE . . . . . 0.593 ' HB2' ' HE1' ' A' ' 572' ' ' MET . 86.1 m-85 -99.66 -15.16 18.65 Favored 'General case' 0 C--O 1.234 0.237 0 O-C-N 122.073 -0.392 . . . . 0.33 111.652 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 545' ' ' GLY . . . . . 0.496 ' O ' ' HA ' ' A' ' 542' ' ' LEU . . . -175.51 -174.42 42.08 Favored Glycine 0 C--O 1.223 -0.533 0 C-N-CA 120.704 -0.76 . . . . 0.44 112.454 -177.522 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 546' ' ' LYS . . . . . . . . . . . . . 39.9 ttpt -95.61 123.52 39.2 Favored 'General case' 0 C--N 1.32 -0.712 0 O-C-N 122.072 -0.664 . . . . 2.07 109.708 -178.569 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 547' ' ' VAL . . . . . 0.598 ' HB ' HG11 ' A' ' 608' ' ' VAL . 76.8 t -84.5 113.5 23.32 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-O 121.144 0.497 . . . . 0.2 110.323 177.063 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 548' ' ' THR . . . . . . . . . . . . . 21.9 p -95.06 -35.48 11.91 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 115.699 -0.682 . . . . 0.31 111.202 177.926 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 549' ' ' ASN . . . . . 0.494 ' OD1' HD11 ' A' ' 601' ' ' LEU . 94.7 m-20 -142.41 158.01 44.16 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.841 -0.618 . . . . 1.26 110.638 -178.136 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 550' ' ' TYR . . . . . 0.617 ' CG ' HD11 ' A' ' 538' ' ' ILE . 2.7 p90 -159.48 151.59 20.85 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.562 -0.744 . . . . 0.31 109.385 -179.078 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 551' ' ' ILE . . . . . 0.537 ' HB ' ' HB2' ' A' ' 560' ' ' PHE . 66.9 mt -144.27 123.88 7.66 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 N-CA-C 108.456 -0.942 . . . . 0.22 108.456 -175.924 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 552' ' ' LEU . . . . . 0.572 HD11 ' N ' ' A' ' 534' ' ' GLU . 22.2 mt -106.58 113.45 26.97 Favored 'General case' 0 C--N 1.316 -0.86 0 C-N-CA 119.954 -0.698 . . . . 0.43 110.404 -179.167 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 553' ' ' MET . . . . . 0.422 ' SD ' ' HE2' ' A' ' 560' ' ' PHE . 28.0 mtp -97.62 79.8 2.75 Favored 'General case' 0 C--N 1.319 -0.752 0 N-CA-C 108.113 -1.069 . . . . 1.03 108.113 -176.739 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 554' ' ' LYS . . . . . . . . . . . . . 28.9 mmtp -54.45 -29.22 48.85 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 114.794 -1.094 . . . . 1.03 113.104 177.859 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 555' ' ' SER . . . . . . . . . . . . . 67.4 p -69.17 -40.6 78.05 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 120.77 0.319 . . . . 0.51 111.313 -175.167 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 556' ' ' THR . . . . . . . . . . . . . 52.0 p -101.15 4.38 41.99 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 112.789 0.663 . . . . 0.45 112.789 -177.231 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 557' ' ' ASN . . . . . . . . . . . . . 2.6 m-20 58.78 39.93 23.59 Favored 'General case' 0 N--CA 1.469 0.523 0 CA-C-O 121.967 0.889 . . . . 1.28 109.907 -176.0 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 558' ' ' GLN . . . . . . . . . . . . . 98.9 mt-30 -137.89 169.29 18.04 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 114.763 -1.108 . . . . 0.84 109.367 -175.384 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 559' ' ' ALA . . . . . . . . . . . . . . . -157.95 165.27 35.59 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 118.036 0.38 . . . . 0.16 111.887 -178.828 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 560' ' ' PHE . . . . . 0.537 ' HB2' ' HB ' ' A' ' 551' ' ' ILE . 84.9 m-85 -119.06 149.48 41.59 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.235 -0.439 . . . . 0.35 110.475 173.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 561' ' ' LEU . . . . . 0.559 HD21 ' CA ' ' A' ' 541' ' ' GLY . 51.1 tp -138.42 119.65 14.66 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.542 -0.754 . . . . 0.2 110.052 -178.94 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 562' ' ' GLU . . . . . 0.549 ' HB2' HD12 ' A' ' 599' ' ' LEU . 29.3 tt0 -99.24 133.34 43.68 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.432 0.634 . . . . 2.09 110.846 -178.953 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 563' ' ' MET . . . . . 0.549 ' HE1' ' HG3' ' A' ' 572' ' ' MET . 10.0 mtt -120.57 144.13 48.25 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 114.91 -1.041 . . . . 0.39 109.423 -175.007 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 564' ' ' ALA . . . . . . . . . . . . . . . -67.44 -21.99 65.52 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 112.828 0.677 . . . . 0.5 112.828 -169.347 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 565' ' ' TYR . . . . . . . . . . . . . 77.9 m-85 -140.49 151.88 45.16 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 120.885 0.374 . . . . 1.15 110.271 178.369 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 566' ' ' THR . . . . . . . . . . . . . 14.0 t -65.84 -26.75 67.8 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.588 -0.733 . . . . 0.57 110.646 -177.637 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 567' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -56.21 -33.1 65.03 Favored 'General case' 0 C--O 1.233 0.194 0 CA-C-N 115.962 -0.563 . . . . 0.89 111.186 175.084 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 568' ' ' ALA . . . . . 0.761 ' O ' ' HG2' ' A' ' 572' ' ' MET . . . -73.6 -43.11 60.5 Favored 'General case' 0 N--CA 1.449 -0.519 0 CA-C-N 116.114 -0.494 . . . . 0.26 109.938 -175.831 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 569' ' ' ALA . . . . . 0.533 ' HA ' ' SD ' ' A' ' 563' ' ' MET . . . -62.03 -44.31 96.98 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.726 -0.67 . . . . 0.24 111.683 -175.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 570' ' ' GLN . . . . . 0.492 ' O ' ' HG2' ' A' ' 574' ' ' GLN . 9.3 pt20 -67.93 -36.01 79.41 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.386 -0.37 . . . . 1.24 110.443 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 571' ' ' ALA . . . . . . . . . . . . . . . -62.38 -39.65 93.89 Favored 'General case' 0 N--CA 1.454 -0.242 0 CA-C-N 116.315 -0.402 . . . . 0.31 110.693 177.91 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 572' ' ' MET . . . . . 0.761 ' HG2' ' O ' ' A' ' 568' ' ' ALA . 13.2 mmt -60.77 -49.57 76.97 Favored 'General case' 0 CA--C 1.519 -0.246 0 CA-C-N 116.048 -0.524 . . . . 0.47 109.739 177.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 573' ' ' VAL . . . . . . . . . . . . . 59.5 t -63.47 -47.63 90.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 115.57 -0.741 . . . . 0.34 110.626 -176.879 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 574' ' ' GLN . . . . . 0.492 ' HG2' ' O ' ' A' ' 570' ' ' GLN . 79.6 mm-40 -61.89 -39.45 92.0 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.759 0.314 . . . . 2.09 111.065 -178.497 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 575' ' ' TYR . . . . . . . . . . . . . 56.0 t80 -69.6 -53.42 18.91 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.273 -0.421 . . . . 0.48 110.908 -177.734 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 576' ' ' TYR . . . . . 0.562 ' CE2' HD12 ' A' ' 590' ' ' ILE . 63.1 m-85 -76.47 -13.19 60.12 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 113.146 0.795 . . . . 0.36 113.146 -173.872 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 577' ' ' GLN . . . . . . . . . . . . . 18.2 mm-40 -71.18 -40.73 71.05 Favored 'General case' 0 C--N 1.323 -0.55 0 C-N-CA 120.449 -0.5 . . . . 1.89 110.029 170.287 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 578' ' ' GLU . . . . . . . . . . . . . 18.8 mm-40 -87.11 -38.9 16.05 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.327 -0.397 . . . . 2.14 111.383 178.498 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 579' ' ' LYS . . . . . 0.462 ' O ' ' HA ' ' A' ' 576' ' ' TYR . 97.6 mttt -136.83 91.31 15.49 Favored Pre-proline 0 C--N 1.327 -0.407 0 N-CA-C 109.947 -0.39 . . . . 2.46 109.947 177.354 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 580' ' ' PRO . . . . . . . . . . . . . 36.6 Cg_endo -66.99 162.02 39.95 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.893 2.395 . . . . 0.37 112.542 -179.447 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 581' ' ' ALA . . . . . 0.537 ' HB2' ' CE1' ' A' ' 576' ' ' TYR . . . -90.25 129.06 36.54 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 109.691 -0.485 . . . . 0.27 109.691 179.717 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 582' ' ' ILE . . . . . . . . . . . . . 52.7 mt -98.71 119.9 47.33 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.703 0 CA-C-N 116.241 -0.436 . . . . 0.51 111.246 -172.515 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 583' ' ' ILE . . . . . 0.413 HG13 HD11 ' A' ' 588' ' ' LEU . 37.9 mm -123.45 112.17 32.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 N-CA-C 109.463 -0.569 . . . . 0.51 109.463 173.865 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 584' ' ' ASN . . . . . . . . . . . . . 80.3 m-20 57.58 33.68 23.57 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-O 121.342 0.591 . . . . 1.1 110.38 -178.955 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 585' ' ' GLY . . . . . . . . . . . . . . . 84.91 1.89 88.69 Favored Glycine 0 N--CA 1.444 -0.781 0 CA-C-N 115.398 -0.819 . . . . 0.44 113.499 179.624 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 586' ' ' GLU . . . . . . . . . . . . . 27.0 mm-40 -101.76 125.81 48.5 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 117.144 0.472 . . . . 1.79 110.806 -179.459 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 587' ' ' LYS . . . . . . . . . . . . . 50.8 mttp -74.28 117.57 16.24 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.494 -0.775 . . . . 1.67 110.989 176.757 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 588' ' ' LEU . . . . . 0.506 HD12 HD11 ' A' ' 540' ' ' LEU . 47.2 mt -79.57 134.17 36.47 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 109.991 -0.374 . . . . 0.24 109.991 176.817 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 589' ' ' LEU . . . . . 0.584 ' HB3' ' SG ' ' A' ' 525' ' ' CYS . 59.2 tp -111.59 111.36 22.31 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 115.991 -0.55 . . . . 0.38 110.088 -178.32 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 590' ' ' ILE . . . . . 0.562 HD12 ' CE2' ' A' ' 576' ' ' TYR . 17.4 mt -100.85 126.26 54.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 115.891 -0.595 . . . . 0.26 110.258 178.943 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 591' ' ' ARG . . . . . . . . . . . . . 71.3 mtp180 -145.82 159.7 42.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.25 -0.432 . . . . 2.62 109.89 -176.196 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 592' ' ' MET . . . . . . . . . . . . . 63.6 mtt -82.61 147.83 28.35 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 109.437 -0.579 . . . . 0.34 109.437 179.194 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 593' ' ' SER . . . . . . . . . . . . . 33.2 t -87.27 136.97 32.73 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.526 0.679 . . . . 1.37 111.57 -174.53 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 594' ' ' THR . . . . . . . . . . . . . 19.2 p -90.4 -14.19 33.46 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 114.861 -1.063 . . . . 0.38 110.943 177.619 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 595' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -102.99 -27.96 12.3 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 112.468 0.544 . . . . 2.75 112.468 -170.228 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 596' ' ' TYR . . . . . 0.444 ' HB3' HG21 ' A' ' 521' ' ' VAL . 53.4 m-85 -119.48 141.02 49.54 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.822 0.344 . . . . 0.65 111.785 -177.344 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 597' ' ' LYS . . . . . 0.493 ' N ' ' HD2' ' A' ' 597' ' ' LYS . 0.3 OUTLIER -108.76 -8.23 15.4 Favored 'General case' 0 CA--C 1.518 -0.287 0 CA-C-N 115.8 -0.637 . . . . 2.18 110.532 174.638 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 598' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 -146.43 148.92 32.79 Favored 'General case' 0 N--CA 1.449 -0.521 0 CA-C-O 121.11 0.481 . . . . 0.95 110.498 178.924 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 599' ' ' LEU . . . . . 0.843 HD21 HG13 ' A' ' 521' ' ' VAL . 37.8 mt -105.3 127.88 53.17 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.566 -0.743 . . . . 0.45 111.008 175.592 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 600' ' ' GLN . . . . . 0.415 HE22 ' HD3' ' A' ' 602' ' ' LYS . 12.8 tm0? -111.86 131.13 55.56 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.605 -0.725 . . . . 1.52 110.261 176.594 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 601' ' ' LEU . . . . . 0.589 ' HB3' ' O ' ' A' ' 603' ' ' LYS . 62.5 mt -83.33 101.51 11.36 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.131 -0.486 . . . . 0.46 111.266 -179.348 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 602' ' ' LYS . . . . . 0.415 ' HD3' HE22 ' A' ' 600' ' ' GLN . 28.3 mmtp -64.76 -26.81 68.51 Favored 'General case' 0 C--N 1.331 -0.223 0 N-CA-C 109.115 -0.698 . . . . 1.73 109.115 168.805 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 603' ' ' LYS . . . . . 0.589 ' O ' ' HB3' ' A' ' 601' ' ' LEU . 75.9 mmtt . . . . . 0 C--N 1.325 -0.483 0 CA-C-N 114.859 -1.064 . . . . 1.69 108.7 178.501 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 607' ' ' ASN . . . . . . . . . . . . . 23.8 t-20 . . . . . 0 C--O 1.232 0.141 0 CA-C-O 121.161 0.505 . . . . 1.33 111.086 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 608' ' ' VAL . . . . . 0.598 HG11 ' HB ' ' A' ' 547' ' ' VAL . 72.1 t -91.57 -21.07 6.53 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 CA-C-N 115.578 -0.737 . . . . 0.3 110.933 -176.526 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 609' ' ' ALA . . . . . . . . . . . . . . . -60.46 -35.64 76.35 Favored 'General case' 0 C--O 1.237 0.407 0 CA-C-O 121.381 0.61 . . . . 0.44 110.801 176.042 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 610' ' ' ALA . . . . . . . . . . . . . . . -65.02 -27.29 68.71 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.906 -0.588 . . . . 0.4 110.263 176.879 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 611' ' ' ILE . . . . . . . . . . . . . 74.9 mt -71.26 -30.55 40.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 115.819 -0.628 . . . . 0.25 109.534 178.36 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 612' ' ' ILE . . . . . 0.411 ' CG1' HD13 ' A' ' 542' ' ' LEU . 68.2 mt -60.9 -44.34 97.66 Favored 'Isoleucine or valine' 0 C--O 1.231 0.099 0 N-CA-C 109.573 -0.529 . . . . 0.31 109.573 172.526 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 613' ' ' GLN . . . . . . . . . . . . . 92.3 mt-30 -62.84 -32.29 73.47 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.31 0.576 . . . . 2.31 110.128 177.544 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 614' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -65.99 -44.55 84.5 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.162 -0.927 . . . . 1.95 110.23 177.906 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 615' ' ' ILE . . . . . 0.579 HD11 ' HA ' ' A' ' 539' ' ' ASN . 93.6 mt -62.35 -36.15 73.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.087 -0.506 . . . . 0.35 110.738 177.314 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 616' ' ' HIS . . . . . . . . . . . . . 18.6 m80 -64.3 -34.87 79.12 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.337 -0.392 . . . . 1.26 110.605 177.583 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 617' ' ' SER . . . . . . . . . . . . . 27.3 m . . . . . 0 C--N 1.328 -0.341 0 CA-C-O 120.917 0.389 . . . . 1.18 110.947 177.712 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 520' ' ' ARG . . . . . . . . . . . . . 17.2 mtm-85 . . . . . 0 N--CA 1.452 -0.354 0 CA-C-O 121.326 0.584 . . . . 2.22 111.451 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 521' ' ' VAL . . . . . 0.712 HG13 HD21 ' A' ' 599' ' ' LEU . 92.3 t -117.38 121.75 68.32 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.697 0 CA-C-N 115.253 -0.885 . . . . 0.32 109.947 165.646 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 522' ' ' VAL . . . . . 0.557 ' HB ' ' O ' ' A' ' 561' ' ' LEU . 25.7 t -120.13 121.15 65.08 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.91 0 N-CA-C 107.856 -1.164 . . . . 0.22 107.856 176.364 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 523' ' ' HIS . . . . . . . . . . . . . 43.0 t-80 -105.84 132.17 52.29 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 121.283 0.563 . . . . 0.44 110.896 -171.008 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 524' ' ' ILE . . . . . 0.468 HG23 HG12 ' A' ' 590' ' ' ILE . 32.6 mt -114.02 141.83 28.78 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.944 0 N-CA-C 108.317 -0.994 . . . . 0.19 108.317 177.731 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 525' ' ' CYS . . . . . 0.603 ' SG ' ' HB3' ' A' ' 589' ' ' LEU . 5.4 p -142.18 167.65 21.61 Favored 'General case' 0 C--N 1.314 -0.95 0 C-N-CA 120.416 -0.514 . . . . 1.17 111.583 -178.117 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 526' ' ' ASN . . . . . 0.461 ' HB2' ' O ' ' A' ' 525' ' ' CYS . 86.8 m-20 86.14 28.65 0.04 OUTLIER 'General case' 0 N--CA 1.468 0.427 0 O-C-N 124.917 1.386 . . . . 0.26 110.189 176.87 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 527' ' ' LEU . . . . . 0.426 ' HB3' ' SG ' ' A' ' 532' ' ' CYS . 81.1 mt -89.88 122.61 67.73 Favored Pre-proline 0 C--N 1.323 -0.557 0 N-CA-C 108.438 -0.949 . . . . 0.25 108.438 176.455 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 528' ' ' PRO . . . . . . . . . . . . . 11.9 Cg_exo -70.56 133.66 24.6 Favored 'Trans proline' 0 N--CA 1.456 -0.696 0 C-N-CA 121.238 1.292 . . . . 0.38 111.305 179.858 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 529' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -65.75 129.5 39.99 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 109.278 -0.638 . . . . 1.6 109.278 177.222 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 530' ' ' GLY . . . . . . . . . . . . . . . 97.17 3.03 59.01 Favored Glycine 0 N--CA 1.441 -0.973 0 C-N-CA 120.249 -0.976 . . . . 0.48 110.743 -172.46 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 531' ' ' SER . . . . . . . . . . . . . 22.7 t -146.31 7.84 1.03 Allowed 'General case' 0 N--CA 1.451 -0.409 0 CA-C-O 121.202 0.525 . . . . 1.08 109.767 -179.686 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 532' ' ' CYS . . . . . 0.495 ' HB2' ' HD2' ' A' ' 554' ' ' LYS . 59.7 m -89.0 84.2 6.6 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 108.773 -0.825 . . . . 0.25 108.773 -179.472 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 533' ' ' THR . . . . . 0.443 ' O ' HG23 ' A' ' 537' ' ' VAL . 40.8 p -95.69 151.61 19.2 Favored 'General case' 0 N--CA 1.445 -0.703 0 C-N-CA 119.888 -0.725 . . . . 0.35 109.177 -177.768 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 534' ' ' GLU . . . . . 0.556 ' HA ' HD11 ' A' ' 552' ' ' LEU . 51.8 mt-10 -66.01 -34.46 78.13 Favored 'General case' 0 C--N 1.319 -0.756 0 N-CA-C 109.019 -0.734 . . . . 1.64 109.019 176.487 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 535' ' ' ASN . . . . . . . . . . . . . 4.9 m-20 -64.82 -48.94 72.59 Favored 'General case' 0 C--O 1.212 -0.874 0 CA-C-N 114.738 -1.119 . . . . 1.82 111.735 -177.088 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 536' ' ' ASP . . . . . . . . . . . . . 25.7 m-20 -69.32 -44.66 71.28 Favored 'General case' 0 N--CA 1.475 0.808 0 CA-C-N 118.602 0.637 . . . . 0.61 111.452 -172.723 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 537' ' ' VAL . . . . . 0.443 HG23 ' O ' ' A' ' 533' ' ' THR . 38.7 t -60.49 -48.05 90.08 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-N 115.178 -0.919 . . . . 0.15 109.914 -178.731 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 538' ' ' ILE . . . . . 0.637 HD11 ' CG ' ' A' ' 550' ' ' TYR . 70.6 mt -68.99 -33.37 58.61 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.744 0 CA-C-N 115.35 -0.841 . . . . 0.23 111.659 176.371 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 539' ' ' ASN . . . . . . . . . . . . . 93.5 m-20 -57.82 -27.74 63.43 Favored 'General case' 0 CA--C 1.511 -0.536 0 N-CA-C 109.932 -0.395 . . . . 0.25 109.932 176.264 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 540' ' ' LEU . . . . . 0.466 HD11 HD12 ' A' ' 588' ' ' LEU . 87.6 mt -75.37 -40.81 57.62 Favored 'General case' 0 N--CA 1.445 -0.722 0 N-CA-C 109.796 -0.446 . . . . 0.27 109.796 175.407 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 541' ' ' GLY . . . . . 0.517 ' HA2' ' SD ' ' A' ' 572' ' ' MET . . . -68.81 -53.51 19.3 Favored Glycine 0 CA--C 1.526 0.73 0 N-CA-C 115.688 1.035 . . . . 0.19 115.688 -179.713 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 542' ' ' LEU . . . . . 0.525 ' HA ' ' O ' ' A' ' 545' ' ' GLY . 40.4 mt -55.28 -45.94 99.77 Favored Pre-proline 0 N--CA 1.472 0.63 0 N-CA-C 114.97 1.47 . . . . 0.2 114.97 -168.039 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 543' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -60.7 -25.53 81.16 Favored 'Trans proline' 0 C--N 1.347 0.46 0 C-N-CA 122.207 1.938 . . . . 0.23 113.366 -178.751 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 544' ' ' PHE . . . . . 0.453 ' HB2' ' HE2' ' A' ' 572' ' ' MET . 99.2 m-85 -98.77 -15.82 19.16 Favored 'General case' 0 C--N 1.331 -0.233 0 O-C-N 122.078 -0.388 . . . . 0.33 111.378 177.54 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 545' ' ' GLY . . . . . 0.525 ' O ' ' HA ' ' A' ' 542' ' ' LEU . . . 177.34 151.67 9.34 Favored Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 120.894 -0.67 . . . . 0.44 112.028 -179.668 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 546' ' ' LYS . . . . . . . . . . . . . 39.7 ttmt -66.33 128.39 35.97 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 120.974 0.416 . . . . 2.07 110.893 -178.308 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 547' ' ' VAL . . . . . 0.614 HG21 HG23 ' A' ' 538' ' ' ILE . 69.6 t -86.8 115.37 27.56 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 CA-C-N 115.87 -0.604 . . . . 0.2 110.341 178.879 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 548' ' ' THR . . . . . . . . . . . . . 25.5 p -93.91 -35.05 12.86 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.948 -0.569 . . . . 0.31 111.492 -179.51 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 549' ' ' ASN . . . . . 0.419 ' HB2' ' CB ' ' A' ' 562' ' ' GLU . 34.6 m-80 -143.83 153.36 42.28 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.843 -0.617 . . . . 1.26 110.109 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 550' ' ' TYR . . . . . 0.637 ' CG ' HD11 ' A' ' 538' ' ' ILE . 6.1 p90 -156.09 151.43 26.76 Favored 'General case' 0 C--N 1.317 -0.809 0 N-CA-C 109.544 -0.539 . . . . 0.31 109.544 178.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 551' ' ' ILE . . . . . 0.487 ' HB ' ' HB2' ' A' ' 560' ' ' PHE . 43.1 mt -142.64 124.32 12.38 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 N-CA-C 108.619 -0.882 . . . . 0.22 108.619 -178.382 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 552' ' ' LEU . . . . . 0.556 HD11 ' HA ' ' A' ' 534' ' ' GLU . 20.2 mt -107.58 120.76 43.11 Favored 'General case' 0 C--N 1.317 -0.841 0 C-N-CA 120.388 -0.525 . . . . 0.43 111.282 -177.055 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 553' ' ' MET . . . . . . . . . . . . . 72.1 mtm -111.68 81.65 1.49 Allowed 'General case' 0 C--N 1.324 -0.503 0 C-N-CA 119.831 -0.748 . . . . 1.03 109.224 176.496 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 554' ' ' LYS . . . . . 0.495 ' HD2' ' HB2' ' A' ' 532' ' ' CYS . 1.0 OUTLIER -54.07 -28.71 40.61 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.192 -0.913 . . . . 1.03 111.968 173.841 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 555' ' ' SER . . . . . . . . . . . . . 63.6 p -69.13 -42.97 75.3 Favored 'General case' 0 N--CA 1.451 -0.419 0 CA-C-O 120.842 0.353 . . . . 0.51 111.159 -173.053 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 556' ' ' THR . . . . . 0.451 ' O ' ' HG3' ' A' ' 558' ' ' GLN . 41.6 p -98.37 4.72 48.56 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.359 -0.382 . . . . 0.45 111.815 -177.352 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 557' ' ' ASN . . . . . . . . . . . . . 5.0 m-20 59.45 39.13 22.3 Favored 'General case' 0 N--CA 1.468 0.473 0 CA-C-O 121.534 0.683 . . . . 1.28 110.259 -177.177 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 558' ' ' GLN . . . . . 0.451 ' HG3' ' O ' ' A' ' 556' ' ' THR . 76.4 mt-30 -140.99 164.35 30.51 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.177 -0.92 . . . . 0.84 109.861 -176.063 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 559' ' ' ALA . . . . . 0.446 ' HB1' HD23 ' A' ' 552' ' ' LEU . . . -158.06 165.48 34.94 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 121.2 0.524 . . . . 0.16 111.37 -179.692 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 560' ' ' PHE . . . . . 0.487 ' HB2' ' HB ' ' A' ' 551' ' ' ILE . 90.9 m-85 -120.28 145.96 46.56 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.717 -0.674 . . . . 0.35 110.754 178.057 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 561' ' ' LEU . . . . . 0.557 ' O ' ' HB ' ' A' ' 522' ' ' VAL . 50.7 tp -137.45 118.76 14.63 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.876 -0.602 . . . . 0.2 110.314 -178.659 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 562' ' ' GLU . . . . . 0.419 ' CB ' ' HB2' ' A' ' 549' ' ' ASN . 0.1 OUTLIER -104.07 136.43 43.72 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.15 -0.477 . . . . 2.09 109.834 176.67 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 563' ' ' MET . . . . . 0.641 ' SD ' ' HA ' ' A' ' 569' ' ' ALA . 26.7 mtt -121.27 163.74 18.09 Favored 'General case' 0 C--N 1.316 -0.889 0 CA-C-N 115.61 -0.723 . . . . 0.39 109.644 -171.578 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 564' ' ' ALA . . . . . . . . . . . . . . . -63.05 -43.46 98.57 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 118.398 0.545 . . . . 0.5 111.633 -172.866 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 565' ' ' TYR . . . . . 0.411 ' CB ' ' HG2' ' A' ' 567' ' ' GLU . 99.7 m-85 -131.58 158.75 40.17 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.298 -0.41 . . . . 1.15 110.654 -178.059 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 566' ' ' THR . . . . . . . . . . . . . 8.1 t -66.71 -27.26 67.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.773 -0.648 . . . . 0.57 110.349 -178.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 567' ' ' GLU . . . . . 0.411 ' HG2' ' CB ' ' A' ' 565' ' ' TYR . 12.5 pt-20 -57.13 -32.43 66.34 Favored 'General case' 0 C--O 1.232 0.135 0 CA-C-N 115.783 -0.644 . . . . 0.89 110.965 176.233 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 568' ' ' ALA . . . . . 0.682 ' O ' ' HG3' ' A' ' 572' ' ' MET . . . -72.92 -42.77 63.16 Favored 'General case' 0 N--CA 1.45 -0.447 0 CA-C-N 116.031 -0.531 . . . . 0.26 110.029 -177.438 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 569' ' ' ALA . . . . . 0.641 ' HA ' ' SD ' ' A' ' 563' ' ' MET . . . -62.74 -46.03 89.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.937 -0.574 . . . . 0.24 111.404 -176.231 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 570' ' ' GLN . . . . . . . . . . . . . 18.0 pt20 -69.4 -35.56 75.89 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.198 -0.455 . . . . 1.24 110.679 -178.236 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 571' ' ' ALA . . . . . . . . . . . . . . . -64.95 -43.47 92.58 Favored 'General case' 0 N--CA 1.455 -0.2 0 CA-C-N 116.273 -0.422 . . . . 0.31 110.931 178.716 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 572' ' ' MET . . . . . 0.682 ' HG3' ' O ' ' A' ' 568' ' ' ALA . 29.5 mtt -67.25 -44.03 80.43 Favored 'General case' 0 CA--C 1.516 -0.337 0 CA-C-N 116.385 -0.37 . . . . 0.47 110.481 179.881 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 573' ' ' VAL . . . . . 0.562 HG23 ' O ' ' A' ' 569' ' ' ALA . 82.3 t -58.2 -47.37 87.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 N-CA-C 110.004 -0.369 . . . . 0.34 110.004 179.778 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 574' ' ' GLN . . . . . . . . . . . . . 28.4 mm-40 -61.6 -36.94 82.16 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.534 -0.303 . . . . 2.09 111.208 179.256 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 575' ' ' TYR . . . . . . . . . . . . . 72.2 t80 -68.02 -53.07 28.56 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.303 -0.408 . . . . 0.48 110.756 179.24 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 576' ' ' TYR . . . . . 0.482 ' CD2' HD12 ' A' ' 590' ' ' ILE . 97.1 m-85 -74.81 -14.29 60.68 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 112.629 0.603 . . . . 0.36 112.629 -176.139 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 577' ' ' GLN . . . . . 0.541 ' HG2' ' O ' ' A' ' 573' ' ' VAL . 15.9 mm-40 -65.76 -42.9 90.32 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 109.66 -0.496 . . . . 1.89 109.66 169.895 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 578' ' ' GLU . . . . . . . . . . . . . 24.3 mm-40 -90.89 -39.08 12.5 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.443 -0.799 . . . . 2.14 111.946 -177.961 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 579' ' ' LYS . . . . . . . . . . . . . 64.3 mttp -129.77 86.97 53.7 Favored Pre-proline 0 C--N 1.325 -0.473 0 CA-C-O 120.82 0.343 . . . . 2.46 110.286 178.195 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 580' ' ' PRO . . . . . . . . . . . . . 55.9 Cg_endo -70.78 161.25 46.73 Favored 'Trans proline' 0 C--O 1.235 0.341 0 C-N-CA 122.656 2.237 . . . . 0.37 112.083 179.675 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 581' ' ' ALA . . . . . . . . . . . . . . . -93.14 136.55 33.3 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 109.127 -0.694 . . . . 0.27 109.127 178.835 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 582' ' ' ILE . . . . . . . . . . . . . 55.2 mt -105.84 124.87 61.24 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.787 0 C-N-CA 120.811 -0.355 . . . . 0.51 111.177 -175.523 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 583' ' ' ILE . . . . . . . . . . . . . 28.2 mm -129.77 114.21 29.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 116.069 -0.514 . . . . 0.51 109.869 177.33 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 584' ' ' ASN . . . . . . . . . . . . . 93.6 m-20 55.24 34.73 23.38 Favored 'General case' 0 N--CA 1.468 0.444 0 CA-C-O 121.202 0.525 . . . . 1.1 111.209 -178.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 585' ' ' GLY . . . . . . . . . . . . . . . 86.59 0.56 86.19 Favored Glycine 0 N--CA 1.448 -0.553 0 CA-C-N 115.682 -0.69 . . . . 0.44 113.414 177.948 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 586' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -104.09 124.26 48.73 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 117.199 0.5 . . . . 1.79 110.093 178.55 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 587' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -78.64 123.65 27.34 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.097 0.475 . . . . 1.67 111.038 174.75 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 588' ' ' LEU . . . . . 0.466 HD12 HD11 ' A' ' 540' ' ' LEU . 39.8 mt -80.55 137.7 36.43 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.619 -0.719 . . . . 0.24 110.397 -177.279 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 589' ' ' LEU . . . . . 0.603 ' HB3' ' SG ' ' A' ' 525' ' ' CYS . 28.6 tp -112.83 111.81 22.85 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.955 -0.566 . . . . 0.38 110.531 -177.781 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 590' ' ' ILE . . . . . 0.482 HD12 ' CD2' ' A' ' 576' ' ' TYR . 18.9 mt -103.03 118.7 50.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 N-CA-C 110.15 -0.315 . . . . 0.26 110.15 176.375 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 591' ' ' ARG . . . . . 0.487 ' HE ' HD11 ' A' ' 589' ' ' LEU . 89.6 mtt180 -145.87 165.84 27.71 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 109.852 -0.425 . . . . 2.62 109.852 -179.472 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 592' ' ' MET . . . . . . . . . . . . . 57.4 mtt -81.0 135.93 35.93 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 109.892 -0.41 . . . . 0.34 109.892 -179.046 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 593' ' ' SER . . . . . . . . . . . . . 47.6 t -73.32 135.94 44.43 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.38 0.609 . . . . 1.37 111.171 -179.283 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 594' ' ' THR . . . . . . . . . . . . . 18.7 p -91.11 -14.26 31.53 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 114.512 -1.222 . . . . 0.38 111.518 178.004 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 595' ' ' ARG . . . . . . . . . . . . . 62.5 mtp180 -100.77 -29.9 12.01 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 112.58 0.585 . . . . 2.75 112.58 -169.167 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 596' ' ' TYR . . . . . . . . . . . . . 95.9 m-85 -128.0 147.34 50.5 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 120.908 0.385 . . . . 0.65 111.744 -177.149 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 597' ' ' LYS . . . . . 0.45 ' N ' ' HD2' ' A' ' 597' ' ' LYS . 9.8 mptt -109.65 -10.06 14.84 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.744 -0.662 . . . . 2.18 112.671 179.84 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 598' ' ' GLU . . . . . . . . . . . . . 45.9 tt0 -144.01 149.6 36.96 Favored 'General case' 0 C--N 1.329 -0.295 0 C-N-CA 120.253 -0.579 . . . . 0.95 111.156 178.37 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 599' ' ' LEU . . . . . 0.712 HD21 HG13 ' A' ' 521' ' ' VAL . 64.0 mt -110.41 126.85 54.73 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.302 -0.863 . . . . 0.45 110.934 177.093 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 600' ' ' GLN . . . . . . . . . . . . . 46.0 tt0 -113.8 137.14 52.06 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.693 -0.685 . . . . 1.52 110.222 177.091 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 601' ' ' LEU . . . . . . . . . . . . . 70.3 mt -90.24 98.14 11.6 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.201 0.524 . . . . 0.46 111.123 177.685 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 602' ' ' LYS . . . . . . . . . . . . . 93.7 mttt -81.05 -16.31 53.61 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.585 0.707 . . . . 1.73 109.198 173.794 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 603' ' ' LYS . . . . . . . . . . . . . 75.5 mmtt . . . . . 0 C--N 1.324 -0.519 0 CA-C-N 115.009 -0.996 . . . . 1.69 109.751 179.978 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 607' ' ' ASN . . . . . . . . . . . . . 4.1 m-20 . . . . . 0 CA--C 1.517 -0.294 0 CA-C-O 121.173 0.511 . . . . 1.33 110.608 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 608' ' ' VAL . . . . . 0.583 HG11 ' HB ' ' A' ' 547' ' ' VAL . 69.6 t -74.22 -20.54 17.44 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.796 0 CA-C-N 115.339 -0.846 . . . . 0.3 110.878 -177.31 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 609' ' ' ALA . . . . . . . . . . . . . . . -60.79 -38.04 83.97 Favored 'General case' 0 C--O 1.242 0.693 0 CA-C-O 121.301 0.572 . . . . 0.44 110.946 175.62 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 610' ' ' ALA . . . . . . . . . . . . . . . -63.28 -29.07 70.46 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.884 -0.598 . . . . 0.4 110.383 177.173 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 611' ' ' ILE . . . . . 0.441 ' CD1' HD12 ' A' ' 538' ' ' ILE . 73.7 mt -71.38 -30.1 38.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 115.902 -0.59 . . . . 0.25 109.781 179.787 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 612' ' ' ILE . . . . . 0.414 HG12 HD13 ' A' ' 542' ' ' LEU . 62.1 mt -61.28 -43.48 96.61 Favored 'Isoleucine or valine' 0 C--O 1.234 0.285 0 N-CA-C 109.799 -0.445 . . . . 0.31 109.799 172.789 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 613' ' ' GLN . . . . . . . . . . . . . 82.2 mt-30 -62.79 -34.08 76.52 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.516 0.674 . . . . 2.31 109.593 177.252 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 614' ' ' ASP . . . . . 0.406 ' HB3' ' O ' ' A' ' 611' ' ' ILE . 15.8 t70 -65.42 -45.73 82.76 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 114.646 -1.161 . . . . 1.95 110.946 -178.253 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 615' ' ' ILE . . . . . 0.475 ' CD1' ' HB2' ' A' ' 542' ' ' LEU . 85.4 mt -59.49 -47.33 91.21 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.346 -0.388 . . . . 0.35 110.684 179.359 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 616' ' ' HIS . . . . . . . . . . . . . 69.5 m80 -65.39 -31.9 73.24 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.804 -0.635 . . . . 1.26 111.352 179.386 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 617' ' ' SER . . . . . . . . . . . . . 48.9 m . . . . . 0 N--CA 1.452 -0.346 0 CA-C-N 116.685 -0.234 . . . . 1.18 110.419 177.688 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 520' ' ' ARG . . . . . 0.635 ' NH1' ' HA ' ' A' ' 566' ' ' THR . 19.7 mtm105 . . . . . 0 N--CA 1.449 -0.48 0 CA-C-O 121.286 0.565 . . . . 2.22 111.391 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 521' ' ' VAL . . . . . 0.807 HG13 HD21 ' A' ' 599' ' ' LEU . 72.3 t -116.08 123.93 71.84 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.837 0 CA-C-N 115.057 -0.974 . . . . 0.32 110.253 169.45 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 522' ' ' VAL . . . . . 0.453 ' HB ' ' O ' ' A' ' 561' ' ' LEU . 35.0 t -120.24 121.17 65.02 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.692 0 N-CA-C 107.803 -1.184 . . . . 0.22 107.803 174.526 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 523' ' ' HIS . . . . . . . . . . . . . 50.6 t-80 -107.89 133.49 52.18 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-O 121.085 0.469 . . . . 0.44 110.744 -171.663 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 524' ' ' ILE . . . . . 0.466 HD11 HD22 ' A' ' 561' ' ' LEU . 30.4 mt -111.44 140.46 30.75 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.914 0 N-CA-C 108.492 -0.929 . . . . 0.19 108.492 177.073 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 525' ' ' CYS . . . . . 0.474 ' O ' ' HB2' ' A' ' 526' ' ' ASN . 2.3 p -140.95 167.35 22.4 Favored 'General case' 0 C--N 1.312 -1.023 0 C-N-CA 120.453 -0.499 . . . . 1.17 111.323 -175.915 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 526' ' ' ASN . . . . . 0.474 ' HB2' ' O ' ' A' ' 525' ' ' CYS . 91.4 m-20 85.66 29.58 0.05 OUTLIER 'General case' 0 N--CA 1.467 0.384 0 O-C-N 124.922 1.389 . . . . 0.26 110.116 178.28 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 527' ' ' LEU . . . . . 0.48 ' O ' ' HB3' ' A' ' 557' ' ' ASN . 79.7 mt -91.19 122.81 65.84 Favored Pre-proline 0 C--N 1.325 -0.5 0 N-CA-C 108.706 -0.85 . . . . 0.25 108.706 177.056 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 528' ' ' PRO . . . . . . . . . . . . . 12.5 Cg_exo -68.69 135.24 32.56 Favored 'Trans proline' 0 N--CA 1.46 -0.483 0 C-N-CA 121.622 1.548 . . . . 0.38 111.623 -179.161 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 529' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -64.65 131.93 48.31 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 109.691 -0.485 . . . . 1.6 109.691 176.351 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 530' ' ' GLY . . . . . . . . . . . . . . . 89.69 2.76 75.26 Favored Glycine 0 N--CA 1.446 -0.639 0 N-CA-C 110.553 -1.019 . . . . 0.48 110.553 -173.662 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 531' ' ' SER . . . . . . . . . . . . . 20.3 m -141.27 7.06 1.96 Allowed 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.263 0.554 . . . . 1.08 109.699 -178.129 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 532' ' ' CYS . . . . . 0.4 ' HB2' ' HD2' ' A' ' 554' ' ' LYS . 70.5 m -89.07 89.45 7.97 Favored 'General case' 0 CA--C 1.515 -0.39 0 N-CA-C 108.913 -0.773 . . . . 0.25 108.913 -179.384 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 533' ' ' THR . . . . . 0.535 ' O ' HG23 ' A' ' 537' ' ' VAL . 82.0 p -102.57 149.39 24.46 Favored 'General case' 0 C--N 1.317 -0.816 0 N-CA-C 109.281 -0.636 . . . . 0.35 109.281 -179.212 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 534' ' ' GLU . . . . . 0.505 ' N ' HD11 ' A' ' 552' ' ' LEU . 39.2 mt-10 -68.56 -35.0 76.81 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 121.282 0.563 . . . . 1.64 110.028 -179.638 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 535' ' ' ASN . . . . . 0.42 ' OD1' HG23 ' A' ' 611' ' ' ILE . 66.0 t30 -64.02 -48.74 75.13 Favored 'General case' 0 C--O 1.216 -0.683 0 CA-C-N 115.2 -0.909 . . . . 1.82 111.006 -174.485 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 536' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -69.22 -40.57 77.9 Favored 'General case' 0 N--CA 1.469 0.479 0 CA-C-O 121.112 0.482 . . . . 0.61 111.275 -172.576 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 537' ' ' VAL . . . . . 0.535 HG23 ' O ' ' A' ' 533' ' ' THR . 35.9 t -61.32 -48.03 90.78 Favored 'Isoleucine or valine' 0 C--O 1.242 0.679 0 CA-C-N 115.154 -0.93 . . . . 0.15 109.836 179.791 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 538' ' ' ILE . . . . . 0.671 HD11 ' CG ' ' A' ' 550' ' ' TYR . 64.0 mt -68.16 -33.94 63.7 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.716 0 CA-C-N 115.273 -0.876 . . . . 0.23 111.367 176.313 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 539' ' ' ASN . . . . . 0.536 ' HA ' HD11 ' A' ' 615' ' ' ILE . 94.3 m-20 -58.53 -26.05 63.1 Favored 'General case' 0 CA--C 1.515 -0.376 0 CA-C-O 120.637 0.256 . . . . 0.25 110.375 176.571 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 540' ' ' LEU . . . . . 0.534 HD11 HD12 ' A' ' 588' ' ' LEU . 85.4 mt -74.83 -42.5 57.88 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 109.59 -0.522 . . . . 0.27 109.59 173.237 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 541' ' ' GLY . . . . . 0.465 ' CA ' HD21 ' A' ' 561' ' ' LEU . . . -66.53 -52.76 32.52 Favored Glycine 0 CA--C 1.525 0.663 0 N-CA-C 115.817 1.087 . . . . 0.19 115.817 -178.579 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 542' ' ' LEU . . . . . 0.513 ' HA ' ' O ' ' A' ' 545' ' ' GLY . 41.1 mt -57.67 -48.29 97.47 Favored Pre-proline 0 C--N 1.323 -0.577 0 N-CA-C 114.969 1.47 . . . . 0.2 114.969 -167.901 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 543' ' ' PRO . . . . . 0.434 ' HG3' HG21 ' A' ' 615' ' ' ILE . 51.2 Cg_exo -59.41 -24.08 73.13 Favored 'Trans proline' 0 C--N 1.346 0.405 0 C-N-CA 122.266 1.977 . . . . 0.23 113.587 -176.449 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 544' ' ' PHE . . . . . 0.483 ' HB2' ' HE2' ' A' ' 572' ' ' MET . 95.3 m-85 -100.51 -15.81 17.74 Favored 'General case' 0 C--N 1.331 -0.218 0 C-N-CA 120.845 -0.342 . . . . 0.33 111.265 177.169 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 545' ' ' GLY . . . . . 0.513 ' O ' ' HA ' ' A' ' 542' ' ' LEU . . . 177.31 156.06 15.19 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.709 -0.758 . . . . 0.44 112.318 179.202 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 546' ' ' LYS . . . . . . . . . . . . . 28.1 tptp -66.3 128.13 34.96 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.471 0.653 . . . . 2.07 111.395 -177.24 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 547' ' ' VAL . . . . . 0.576 ' HB ' HG11 ' A' ' 608' ' ' VAL . 70.3 t -89.13 116.23 30.28 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-N 114.965 -1.016 . . . . 0.2 109.925 177.115 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 548' ' ' THR . . . . . . . . . . . . . 22.7 p -94.87 -36.03 11.8 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.037 -0.528 . . . . 0.31 111.724 179.741 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 549' ' ' ASN . . . . . . . . . . . . . 92.1 m-20 -143.29 160.96 39.53 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.217 -0.447 . . . . 1.26 110.558 179.462 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 550' ' ' TYR . . . . . 0.671 ' CG ' HD11 ' A' ' 538' ' ' ILE . 3.3 p90 -161.41 151.72 17.52 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.502 -0.772 . . . . 0.31 109.582 -179.269 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 551' ' ' ILE . . . . . 0.5 ' HB ' ' HB2' ' A' ' 560' ' ' PHE . 50.0 mt -144.28 127.46 11.9 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 N-CA-C 108.289 -1.004 . . . . 0.22 108.289 -176.882 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 552' ' ' LEU . . . . . 0.505 HD11 ' N ' ' A' ' 534' ' ' GLU . 26.7 mt -106.73 119.71 40.06 Favored 'General case' 0 C--N 1.313 -0.998 0 C-N-CA 119.926 -0.71 . . . . 0.43 110.394 179.852 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 553' ' ' MET . . . . . . . . . . . . . 30.7 mtp -101.95 80.44 2.0 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 108.253 -1.017 . . . . 1.03 108.253 -178.7 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 554' ' ' LYS . . . . . 0.4 ' HD2' ' HB2' ' A' ' 532' ' ' CYS . 26.4 mmtp -53.93 -29.56 42.87 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 114.632 -1.167 . . . . 1.03 113.3 178.318 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 555' ' ' SER . . . . . . . . . . . . . 63.4 p -70.02 -45.08 67.96 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 120.693 0.282 . . . . 0.51 111.758 -174.05 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 556' ' ' THR . . . . . . . . . . . . . 42.6 p -100.27 7.95 44.07 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 112.711 0.634 . . . . 0.45 112.711 -174.753 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 557' ' ' ASN . . . . . 0.48 ' HB3' ' O ' ' A' ' 527' ' ' LEU . 34.6 m-80 59.92 39.59 20.07 Favored 'General case' 0 N--CA 1.468 0.46 0 CA-C-O 121.523 0.678 . . . . 1.28 109.936 -177.575 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 558' ' ' GLN . . . . . . . . . . . . . 28.4 mt-30 -135.83 168.29 19.58 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.344 -0.844 . . . . 0.84 109.908 -175.332 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 559' ' ' ALA . . . . . . . . . . . . . . . -158.66 165.63 33.96 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.19 0.519 . . . . 0.16 111.709 179.187 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 560' ' ' PHE . . . . . 0.5 ' HB2' ' HB ' ' A' ' 551' ' ' ILE . 88.1 m-85 -119.93 144.33 47.5 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.975 -0.557 . . . . 0.35 110.707 176.548 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 561' ' ' LEU . . . . . 0.466 HD22 HD11 ' A' ' 524' ' ' ILE . 56.1 tp -132.62 118.8 19.62 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.709 -0.678 . . . . 0.2 109.955 179.415 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 562' ' ' GLU . . . . . 0.483 ' HB2' HD12 ' A' ' 599' ' ' LEU . 26.5 tt0 -101.0 124.32 46.54 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.428 0.632 . . . . 2.09 110.391 179.353 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 563' ' ' MET . . . . . 0.58 ' HB2' ' NH2' ' A' ' 520' ' ' ARG . 20.9 mtt -110.73 154.62 23.64 Favored 'General case' 0 C--N 1.317 -0.83 0 CA-C-N 115.074 -0.966 . . . . 0.39 108.762 -177.855 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 564' ' ' ALA . . . . . . . . . . . . . . . -73.21 -25.43 60.76 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 123.217 0.323 . . . . 0.5 111.768 -170.708 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 565' ' ' TYR . . . . . . . . . . . . . 68.2 m-85 -139.23 149.34 44.23 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.017 0.437 . . . . 1.15 110.437 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 566' ' ' THR . . . . . 0.635 ' HA ' ' NH1' ' A' ' 520' ' ' ARG . 2.2 t -67.88 -26.35 65.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.632 -0.713 . . . . 0.57 110.497 -177.672 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 567' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -56.0 -32.64 64.13 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 115.75 -0.659 . . . . 0.89 111.128 177.518 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 568' ' ' ALA . . . . . 0.685 ' O ' ' HG3' ' A' ' 572' ' ' MET . . . -73.26 -40.81 64.31 Favored 'General case' 0 N--CA 1.45 -0.436 0 CA-C-N 116.294 -0.412 . . . . 0.26 110.798 -176.202 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 569' ' ' ALA . . . . . 0.548 ' CB ' HH12 ' A' ' 520' ' ' ARG . . . -65.55 -44.95 85.22 Favored 'General case' 0 CA--C 1.516 -0.36 0 CA-C-N 116.319 -0.401 . . . . 0.24 111.731 -174.43 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 570' ' ' GLN . . . . . . . . . . . . . 3.7 pt20 -66.97 -35.4 79.88 Favored 'General case' 0 C--N 1.326 -0.421 0 C-N-CA 120.834 -0.346 . . . . 1.24 110.165 -179.176 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 571' ' ' ALA . . . . . . . . . . . . . . . -64.16 -44.05 93.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.118 -0.492 . . . . 0.31 110.758 176.562 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 572' ' ' MET . . . . . 0.685 ' HG3' ' O ' ' A' ' 568' ' ' ALA . 31.7 mtt -66.38 -45.8 78.85 Favored 'General case' 0 CA--C 1.521 -0.155 0 CA-C-N 116.362 -0.381 . . . . 0.47 110.806 179.877 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 573' ' ' VAL . . . . . 0.505 HG23 ' O ' ' A' ' 569' ' ' ALA . 89.8 t -58.54 -46.69 89.79 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.182 0 N-CA-C 110.301 -0.259 . . . . 0.34 110.301 -178.635 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 574' ' ' GLN . . . . . . . . . . . . . 99.3 mt-30 -60.93 -37.98 84.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.031 0.443 . . . . 2.09 110.751 178.584 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 575' ' ' TYR . . . . . . . . . . . . . 92.7 t80 -69.03 -52.86 24.22 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.757 -0.656 . . . . 0.48 110.851 -178.78 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 576' ' ' TYR . . . . . 0.519 ' CD2' HD12 ' A' ' 590' ' ' ILE . 84.1 m-85 -75.2 -13.48 60.46 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 113.024 0.75 . . . . 0.36 113.024 -175.527 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 577' ' ' GLN . . . . . 0.452 ' HA ' ' OE1' ' A' ' 577' ' ' GLN . 13.9 mm-40 -74.07 -41.96 60.92 Favored 'General case' 0 C--N 1.321 -0.634 0 C-N-CA 120.288 -0.565 . . . . 1.89 109.836 171.601 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 578' ' ' GLU . . . . . . . . . . . . . 40.3 mm-40 -84.53 -39.3 18.97 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.325 -0.398 . . . . 2.14 110.731 178.879 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 579' ' ' LYS . . . . . 0.494 ' O ' ' HA ' ' A' ' 576' ' ' TYR . 54.6 mtpt -130.85 91.28 37.35 Favored Pre-proline 0 C--O 1.234 0.289 0 C-N-CA 122.732 0.413 . . . . 2.46 110.324 176.697 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 580' ' ' PRO . . . . . 0.447 ' HB2' ' HB3' ' A' ' 587' ' ' LYS . 57.7 Cg_endo -71.38 162.04 43.66 Favored 'Trans proline' 0 C--O 1.237 0.441 0 C-N-CA 122.667 2.245 . . . . 0.37 112.383 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 581' ' ' ALA . . . . . 0.417 ' O ' ' HG ' ' A' ' 588' ' ' LEU . . . -92.25 135.11 34.27 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 109.567 -0.531 . . . . 0.27 109.567 178.842 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 582' ' ' ILE . . . . . . . . . . . . . 37.9 mt -98.28 124.04 51.15 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 CA-C-O 120.72 0.295 . . . . 0.51 111.137 -175.63 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 583' ' ' ILE . . . . . 0.401 ' CG1' HD11 ' A' ' 588' ' ' LEU . 30.4 mm -130.65 112.54 22.81 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 N-CA-C 109.802 -0.444 . . . . 0.51 109.802 174.158 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 584' ' ' ASN . . . . . 0.524 HD22 ' N ' ' A' ' 584' ' ' ASN . 0.8 OUTLIER 57.79 33.53 23.33 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-N 115.867 -0.606 . . . . 1.1 110.731 177.585 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 585' ' ' GLY . . . . . . . . . . . . . . . 86.15 5.5 82.91 Favored Glycine 0 N--CA 1.444 -0.773 0 CA-C-N 115.415 -0.812 . . . . 0.44 113.82 177.374 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 586' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -113.73 127.75 56.15 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 117.6 0.7 . . . . 1.79 111.093 176.853 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 587' ' ' LYS . . . . . 0.447 ' HB3' ' HB2' ' A' ' 580' ' ' PRO . 40.7 mmtm -73.56 126.96 31.45 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.965 -0.561 . . . . 1.67 110.911 176.627 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 588' ' ' LEU . . . . . 0.534 HD12 HD11 ' A' ' 540' ' ' LEU . 40.0 mt -82.89 139.86 33.19 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.896 0.379 . . . . 0.24 111.173 -179.153 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 589' ' ' LEU . . . . . . . . . . . . . 65.0 tp -113.62 114.19 26.1 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.711 -0.677 . . . . 0.38 110.853 -179.828 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 590' ' ' ILE . . . . . 0.519 HD12 ' CD2' ' A' ' 576' ' ' TYR . 24.9 mt -100.19 128.6 51.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 N-CA-C 110.231 -0.285 . . . . 0.26 110.231 175.886 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 591' ' ' ARG . . . . . . . . . . . . . 80.5 mtp180 -146.36 159.12 43.79 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.404 -0.362 . . . . 2.62 110.629 -176.898 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 592' ' ' MET . . . . . . . . . . . . . 49.7 mtt -83.24 129.28 35.0 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 109.912 -0.403 . . . . 0.34 109.912 176.025 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 593' ' ' SER . . . . . . . . . . . . . 46.3 t -65.24 129.81 41.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.359 0.6 . . . . 1.37 111.651 -177.048 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 594' ' ' THR . . . . . . . . . . . . . 17.0 p -90.09 -11.74 40.44 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-N 114.711 -1.131 . . . . 0.38 111.712 178.738 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 595' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -104.4 -30.81 9.84 Favored 'General case' 0 CA--C 1.531 0.241 0 N-CA-C 113.172 0.805 . . . . 2.75 113.172 -173.915 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 596' ' ' TYR . . . . . . . . . . . . . 65.1 m-85 -120.27 146.43 46.09 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 112.433 0.531 . . . . 0.65 112.433 -174.875 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 597' ' ' LYS . . . . . 0.523 ' N ' ' HD2' ' A' ' 597' ' ' LYS . 0.1 OUTLIER -109.82 -8.31 14.92 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.352 -0.84 . . . . 2.18 111.979 -178.721 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 598' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 -144.07 151.46 39.67 Favored 'General case' 0 C--N 1.328 -0.351 0 C-N-CA 120.599 -0.44 . . . . 0.95 111.556 -177.515 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 599' ' ' LEU . . . . . 0.807 HD21 HG13 ' A' ' 521' ' ' VAL . 72.1 mt -114.43 122.59 47.1 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.597 -0.728 . . . . 0.45 110.893 175.689 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 600' ' ' GLN . . . . . . . . . . . . . 29.3 tt0 -114.27 123.81 50.46 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.761 -0.654 . . . . 1.52 110.394 178.032 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 601' ' ' LEU . . . . . . . . . . . . . 40.2 mt -78.2 93.63 4.62 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.917 0.389 . . . . 0.46 111.084 179.763 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 602' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -70.74 -23.46 62.43 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.389 0.614 . . . . 1.73 109.885 174.787 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 603' ' ' LYS . . . . . . . . . . . . . 35.2 mmtp . . . . . 0 C--N 1.323 -0.569 0 CA-C-N 115.313 -0.858 . . . . 1.69 109.363 177.479 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 607' ' ' ASN . . . . . 0.418 HD21 ' HB3' ' A' ' 609' ' ' ALA . 37.6 t30 . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.893 0.378 . . . . 1.33 111.016 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 608' ' ' VAL . . . . . 0.576 HG11 ' HB ' ' A' ' 547' ' ' VAL . 96.5 t -77.47 -21.74 14.15 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-N 115.77 -0.65 . . . . 0.3 111.158 -176.295 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 609' ' ' ALA . . . . . 0.418 ' HB3' HD21 ' A' ' 607' ' ' ASN . . . -61.41 -32.54 72.48 Favored 'General case' 0 C--O 1.236 0.392 0 CA-C-O 121.202 0.525 . . . . 0.44 110.859 175.809 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 610' ' ' ALA . . . . . . . . . . . . . . . -64.83 -29.71 70.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.835 -0.62 . . . . 0.4 110.188 176.067 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 611' ' ' ILE . . . . . 0.42 HG23 ' OD1' ' A' ' 535' ' ' ASN . 76.7 mt -71.5 -30.65 39.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 115.371 -0.831 . . . . 0.25 110.018 179.044 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 612' ' ' ILE . . . . . . . . . . . . . 71.2 mt -60.98 -43.61 96.39 Favored 'Isoleucine or valine' 0 C--O 1.235 0.317 0 CA-C-O 121.168 0.508 . . . . 0.31 109.952 172.743 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 613' ' ' GLN . . . . . . . . . . . . . 11.6 mm100 -63.46 -30.3 71.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.491 -0.777 . . . . 2.31 109.872 177.159 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 614' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -71.38 -46.14 61.08 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 114.868 -1.06 . . . . 1.95 110.718 -178.251 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 615' ' ' ILE . . . . . 0.536 HD11 ' HA ' ' A' ' 539' ' ' ASN . 88.0 mt -61.01 -47.18 94.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.061 -0.518 . . . . 0.35 110.74 179.365 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 616' ' ' HIS . . . . . . . . . . . . . 40.9 m170 -64.56 -38.05 89.66 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.45 -0.795 . . . . 1.26 111.779 -177.595 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 617' ' ' SER . . . . . . . . . . . . . 20.9 p . . . . . 0 C--N 1.325 -0.47 0 C-N-CA 120.936 -0.306 . . . . 1.18 111.24 -178.803 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 520' ' ' ARG . . . . . . . . . . . . . 45.8 mtm-85 . . . . . 0 N--CA 1.451 -0.418 0 CA-C-O 121.111 0.481 . . . . 2.22 111.105 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 521' ' ' VAL . . . . . 0.832 HG13 HD21 ' A' ' 599' ' ' LEU . 84.0 t -118.26 123.18 71.22 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.71 0 CA-C-N 115.27 -0.877 . . . . 0.32 110.509 170.135 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 522' ' ' VAL . . . . . 0.578 ' HB ' ' O ' ' A' ' 561' ' ' LEU . 24.5 t -120.03 121.87 67.01 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.924 0 N-CA-C 107.9 -1.148 . . . . 0.22 107.9 174.525 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 523' ' ' HIS . . . . . . . . . . . . . 39.8 t-80 -105.75 131.02 53.61 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-O 121.152 0.501 . . . . 0.44 110.276 -174.983 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 524' ' ' ILE . . . . . 0.477 HD11 HD22 ' A' ' 561' ' ' LEU . 40.3 mt -110.38 138.88 36.32 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.039 0 N-CA-C 108.372 -0.973 . . . . 0.19 108.372 178.405 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 525' ' ' CYS . . . . . 0.462 ' O ' ' HB2' ' A' ' 526' ' ' ASN . 3.8 p -138.24 163.54 31.48 Favored 'General case' 0 C--N 1.31 -1.115 0 C-N-CA 120.638 -0.425 . . . . 1.17 111.419 -175.709 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 526' ' ' ASN . . . . . 0.462 ' HB2' ' O ' ' A' ' 525' ' ' CYS . 90.4 m-20 83.45 27.08 0.1 Allowed 'General case' 0 CA--C 1.516 -0.341 0 O-C-N 124.766 1.292 . . . . 0.26 110.561 175.813 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 527' ' ' LEU . . . . . 0.549 HD23 HD22 ' A' ' 588' ' ' LEU . 90.3 mt -82.14 125.32 77.36 Favored Pre-proline 0 C--N 1.325 -0.465 0 N-CA-C 108.352 -0.981 . . . . 0.25 108.352 176.684 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 528' ' ' PRO . . . . . 0.444 ' HB3' ' OE2' ' A' ' 586' ' ' GLU . 37.3 Cg_endo -74.85 134.59 18.28 Favored 'Trans proline' 0 N--CA 1.457 -0.675 0 C-N-CA 121.324 1.35 . . . . 0.38 112.469 -179.09 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 529' ' ' GLU . . . . . . . . . . . . . 7.7 tp10 -65.14 139.68 58.71 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.629 -0.714 . . . . 1.6 109.525 175.826 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 530' ' ' GLY . . . . . . . . . . . . . . . 91.13 4.3 68.98 Favored Glycine 0 N--CA 1.443 -0.892 0 N-CA-C 110.806 -0.918 . . . . 0.48 110.806 -173.21 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 531' ' ' SER . . . . . 0.411 ' HB3' ' HG2' ' A' ' 528' ' ' PRO . 39.3 t -156.48 9.05 0.22 Allowed 'General case' 0 N--CA 1.449 -0.51 0 CA-C-O 120.867 0.365 . . . . 1.08 110.467 -174.012 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 532' ' ' CYS . . . . . . . . . . . . . 74.8 m -89.25 81.2 6.73 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 109.229 -0.656 . . . . 0.25 109.229 178.658 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 533' ' ' THR . . . . . 0.45 ' O ' HG23 ' A' ' 537' ' ' VAL . 27.2 p -104.15 153.7 20.63 Favored 'General case' 0 N--CA 1.445 -0.685 0 C-N-CA 119.575 -0.85 . . . . 0.35 109.228 -178.5 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 534' ' ' GLU . . . . . 0.813 ' HA ' HD11 ' A' ' 552' ' ' LEU . 20.7 mp0 -63.27 -32.62 74.08 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-O 121.259 0.552 . . . . 1.64 109.756 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 535' ' ' ASN . . . . . . . . . . . . . 63.6 t30 -62.67 -48.88 77.38 Favored 'General case' 0 C--O 1.216 -0.663 0 CA-C-N 115.177 -0.92 . . . . 1.82 111.133 -178.205 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 536' ' ' ASP . . . . . . . . . . . . . 65.2 m-20 -68.86 -46.11 69.33 Favored 'General case' 0 N--CA 1.472 0.66 0 CA-C-O 121.648 0.737 . . . . 0.61 110.77 -171.588 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 537' ' ' VAL . . . . . 0.45 HG23 ' O ' ' A' ' 533' ' ' THR . 26.6 t -60.18 -48.41 88.19 Favored 'Isoleucine or valine' 0 C--O 1.241 0.644 0 CA-C-N 114.339 -1.301 . . . . 0.15 109.888 -177.298 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 538' ' ' ILE . . . . . 0.598 HD11 ' CG ' ' A' ' 550' ' ' TYR . 59.2 mt -69.33 -34.19 61.44 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.764 0 CA-C-N 115.274 -0.876 . . . . 0.23 111.917 177.107 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 539' ' ' ASN . . . . . 0.517 ' HA ' HD11 ' A' ' 615' ' ' ILE . 10.2 m120 -59.02 -26.48 64.59 Favored 'General case' 0 CA--C 1.515 -0.403 0 O-C-N 122.227 -0.296 . . . . 0.25 110.641 177.601 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 540' ' ' LEU . . . . . 0.484 HD11 HD12 ' A' ' 588' ' ' LEU . 89.0 mt -75.67 -42.17 51.99 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 109.719 -0.474 . . . . 0.27 109.719 172.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 541' ' ' GLY . . . . . 0.532 ' HA3' HD21 ' A' ' 561' ' ' LEU . . . -63.96 -52.07 48.02 Favored Glycine 0 CA--C 1.523 0.547 0 N-CA-C 115.36 0.904 . . . . 0.19 115.36 -179.665 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 542' ' ' LEU . . . . . 0.439 HD23 ' H ' ' A' ' 547' ' ' VAL . 74.7 mt -56.15 -45.38 99.92 Favored Pre-proline 0 C--N 1.322 -0.608 0 N-CA-C 114.917 1.451 . . . . 0.2 114.917 -168.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 543' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_exo -60.23 -26.99 83.97 Favored 'Trans proline' 0 C--N 1.347 0.463 0 C-N-CA 122.067 1.845 . . . . 0.23 113.676 -178.129 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 544' ' ' PHE . . . . . 0.494 ' HB2' ' HE2' ' A' ' 572' ' ' MET . 90.6 m-85 -100.81 -7.22 23.83 Favored 'General case' 0 C--N 1.33 -0.269 0 C-N-CA 120.866 -0.334 . . . . 0.33 111.239 179.67 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 545' ' ' GLY . . . . . 0.412 ' O ' ' HA ' ' A' ' 542' ' ' LEU . . . 168.86 151.55 7.26 Favored Glycine 0 N--CA 1.449 -0.463 0 C-N-CA 120.554 -0.832 . . . . 0.44 112.24 -179.374 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 546' ' ' LYS . . . . . . . . . . . . . 37.0 ttpt -66.13 128.78 37.44 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.033 0.444 . . . . 2.07 111.15 -178.119 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 547' ' ' VAL . . . . . 0.582 ' HB ' HG11 ' A' ' 608' ' ' VAL . 72.3 t -88.33 115.68 28.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-N 115.445 -0.798 . . . . 0.2 110.4 177.447 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 548' ' ' THR . . . . . . . . . . . . . 20.5 p -95.2 -36.75 11.33 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.213 -0.448 . . . . 0.31 111.944 179.337 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 549' ' ' ASN . . . . . 0.457 ' HB2' ' HB3' ' A' ' 562' ' ' GLU . 7.3 m-20 -141.09 153.94 45.69 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 109.372 -0.603 . . . . 1.26 109.372 -177.778 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 550' ' ' TYR . . . . . 0.598 ' CG ' HD11 ' A' ' 538' ' ' ILE . 3.3 p90 -159.44 151.99 21.4 Favored 'General case' 0 C--N 1.318 -0.782 0 N-CA-C 109.743 -0.465 . . . . 0.31 109.743 179.583 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 551' ' ' ILE . . . . . 0.455 ' HB ' ' HB2' ' A' ' 560' ' ' PHE . 55.4 mt -143.23 121.65 7.33 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 N-CA-C 107.844 -1.169 . . . . 0.22 107.844 -179.217 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 552' ' ' LEU . . . . . 0.813 HD11 ' HA ' ' A' ' 534' ' ' GLU . 20.6 mt -109.97 126.64 54.14 Favored 'General case' 0 C--N 1.315 -0.92 0 C-N-CA 119.273 -0.971 . . . . 0.43 110.152 -179.768 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 553' ' ' MET . . . . . 0.415 ' HE3' ' HB2' ' A' ' 558' ' ' GLN . 62.8 mtm -109.29 83.89 1.83 Allowed 'General case' 0 C--N 1.318 -0.763 0 N-CA-C 108.853 -0.795 . . . . 1.03 108.853 -179.615 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 554' ' ' LYS . . . . . 0.418 ' HG2' ' H ' ' A' ' 554' ' ' LYS . 21.9 mmtp -53.12 -28.04 23.78 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 114.807 -1.088 . . . . 1.03 112.314 176.277 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 555' ' ' SER . . . . . . . . . . . . . 66.2 p -69.21 -44.35 72.27 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.963 0.411 . . . . 0.51 111.415 -175.316 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 556' ' ' THR . . . . . . . . . . . . . 41.1 p -99.05 2.61 46.32 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.378 -0.373 . . . . 0.45 111.829 -176.462 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 557' ' ' ASN . . . . . 0.478 ' HB3' ' O ' ' A' ' 527' ' ' LEU . 3.4 m-20 57.88 38.51 27.11 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-O 121.796 0.807 . . . . 1.28 110.304 -177.783 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 558' ' ' GLN . . . . . 0.415 ' HB2' ' HE3' ' A' ' 553' ' ' MET . 27.6 mt-30 -139.12 164.47 29.7 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 114.848 -1.069 . . . . 0.84 108.717 -178.045 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 559' ' ' ALA . . . . . . . . . . . . . . . -157.74 166.51 32.57 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 121.235 0.541 . . . . 0.16 112.331 -174.741 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 560' ' ' PHE . . . . . 0.455 ' HB2' ' HB ' ' A' ' 551' ' ' ILE . 92.8 m-85 -122.12 146.65 47.02 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.494 -0.776 . . . . 0.35 110.923 176.208 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 561' ' ' LEU . . . . . 0.578 ' O ' ' HB ' ' A' ' 522' ' ' VAL . 50.4 tp -137.37 120.15 16.3 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.572 -0.74 . . . . 0.2 110.1 -178.249 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 562' ' ' GLU . . . . . 0.481 ' HB2' HD12 ' A' ' 599' ' ' LEU . 29.2 tt0 -99.72 129.83 45.88 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.442 0.639 . . . . 2.09 110.386 177.862 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 563' ' ' MET . . . . . 0.636 ' SD ' ' HA ' ' A' ' 569' ' ' ALA . 27.7 mtt -115.95 155.92 27.16 Favored 'General case' 0 C--N 1.316 -0.88 0 CA-C-N 114.999 -1.001 . . . . 0.39 109.399 -176.276 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 564' ' ' ALA . . . . . . . . . . . . . . . -72.85 -18.71 61.42 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 112.394 0.516 . . . . 0.5 112.394 -170.002 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 565' ' ' TYR . . . . . 0.448 ' CB ' ' HG2' ' A' ' 567' ' ' GLU . 95.8 m-85 -145.21 155.91 43.54 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.68 0.276 . . . . 1.15 110.478 -179.534 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 566' ' ' THR . . . . . . . . . . . . . 3.9 t -68.06 -27.82 66.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.985 -0.552 . . . . 0.57 109.804 179.521 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 567' ' ' GLU . . . . . 0.448 ' HG2' ' CB ' ' A' ' 565' ' ' TYR . 12.8 pt-20 -59.51 -32.71 70.54 Favored 'General case' 0 C--O 1.231 0.096 0 CA-C-N 115.523 -0.762 . . . . 0.89 110.895 176.827 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 568' ' ' ALA . . . . . 0.658 ' O ' ' HG3' ' A' ' 572' ' ' MET . . . -73.06 -40.91 64.67 Favored 'General case' 0 N--CA 1.45 -0.425 0 CA-C-N 115.936 -0.575 . . . . 0.26 109.85 -177.729 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 569' ' ' ALA . . . . . 0.636 ' HA ' ' SD ' ' A' ' 563' ' ' MET . . . -64.9 -45.77 84.52 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.662 -0.699 . . . . 0.24 111.066 -177.517 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 570' ' ' GLN . . . . . . . . . . . . . 20.5 pt20 -68.9 -36.68 78.32 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.036 -0.529 . . . . 1.24 110.575 -179.066 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 571' ' ' ALA . . . . . . . . . . . . . . . -63.89 -45.9 87.29 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-N 116.498 -0.319 . . . . 0.31 111.271 -178.549 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 572' ' ' MET . . . . . 0.658 ' HG3' ' O ' ' A' ' 568' ' ' ALA . 29.2 mtt -67.4 -43.36 81.49 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.523 -0.308 . . . . 0.47 110.682 -177.88 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 573' ' ' VAL . . . . . 0.588 ' O ' ' HG3' ' A' ' 577' ' ' GLN . 97.8 t -59.61 -48.04 88.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-O 120.679 0.276 . . . . 0.34 110.283 179.074 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 574' ' ' GLN . . . . . . . . . . . . . 84.5 mm-40 -62.51 -36.83 83.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.274 -0.421 . . . . 2.09 111.148 -179.833 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 575' ' ' TYR . . . . . . . . . . . . . 88.9 t80 -68.21 -52.06 38.51 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.971 -0.559 . . . . 0.48 110.548 -178.894 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 576' ' ' TYR . . . . . 0.556 ' CE1' ' HB2' ' A' ' 581' ' ' ALA . 62.7 m-85 -76.51 -13.23 60.11 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 113.14 0.793 . . . . 0.36 113.14 -176.076 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 577' ' ' GLN . . . . . 0.588 ' HG3' ' O ' ' A' ' 573' ' ' VAL . 92.6 mt-30 -68.29 -42.34 79.65 Favored 'General case' 0 C--N 1.325 -0.471 0 C-N-CA 120.363 -0.535 . . . . 1.89 109.725 171.523 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 578' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -92.28 -37.27 12.75 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.849 -0.614 . . . . 2.14 111.608 -179.865 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 579' ' ' LYS . . . . . 0.43 ' O ' ' HA ' ' A' ' 576' ' ' TYR . 56.4 mtpt -128.76 84.39 63.26 Favored Pre-proline 0 C--N 1.327 -0.404 0 N-CA-C 110.237 -0.283 . . . . 2.46 110.237 175.179 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 580' ' ' PRO . . . . . . . . . . . . . 30.6 Cg_endo -64.44 160.51 39.06 Favored 'Trans proline' 0 C--O 1.234 0.312 0 C-N-CA 122.634 2.222 . . . . 0.37 112.536 -178.939 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 581' ' ' ALA . . . . . 0.556 ' HB2' ' CE1' ' A' ' 576' ' ' TYR . . . -90.58 134.54 34.31 Favored 'General case' 0 CA--C 1.517 -0.297 0 N-CA-C 109.721 -0.474 . . . . 0.27 109.721 178.631 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 582' ' ' ILE . . . . . . . . . . . . . 23.0 mt -103.93 120.83 54.68 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.741 0 CA-C-N 116.357 -0.383 . . . . 0.51 111.519 -174.669 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 583' ' ' ILE . . . . . 0.437 ' CG1' HD11 ' A' ' 588' ' ' LEU . 29.2 mm -124.7 112.6 32.65 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 N-CA-C 109.473 -0.566 . . . . 0.51 109.473 173.822 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 584' ' ' ASN . . . . . . . . . . . . . 96.0 m-20 59.19 34.03 22.99 Favored 'General case' 0 N--CA 1.468 0.448 0 CA-C-O 121.404 0.621 . . . . 1.1 110.606 -178.32 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 585' ' ' GLY . . . . . . . . . . . . . . . 79.8 4.69 89.52 Favored Glycine 0 N--CA 1.447 -0.586 0 CA-C-N 115.397 -0.82 . . . . 0.44 113.25 179.298 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 586' ' ' GLU . . . . . 0.444 ' OE2' ' HB3' ' A' ' 528' ' ' PRO . 47.3 mt-10 -105.09 125.85 51.43 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.013 0.435 . . . . 1.79 110.534 178.477 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 587' ' ' LYS . . . . . . . . . . . . . 33.1 mmtp -75.66 125.8 29.77 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.427 -0.806 . . . . 1.67 111.385 -178.505 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 588' ' ' LEU . . . . . 0.549 HD22 HD23 ' A' ' 527' ' ' LEU . 41.6 mt -89.41 138.86 31.08 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.993 -0.549 . . . . 0.24 110.734 179.331 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 589' ' ' LEU . . . . . 0.445 ' HB3' ' SG ' ' A' ' 525' ' ' CYS . 58.4 tp -113.99 116.18 28.8 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.252 -0.431 . . . . 0.38 110.881 178.535 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 590' ' ' ILE . . . . . 0.517 HD12 ' CE2' ' A' ' 576' ' ' TYR . 26.6 mt -101.34 127.48 54.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 N-CA-C 109.952 -0.388 . . . . 0.26 109.952 174.801 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 591' ' ' ARG . . . . . . . . . . . . . 64.4 mtt-85 -147.39 165.11 31.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.806 0.336 . . . . 2.62 110.812 -177.156 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 592' ' ' MET . . . . . . . . . . . . . 65.1 mtt -82.26 141.17 33.17 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 109.442 -0.577 . . . . 0.34 109.442 176.413 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 593' ' ' SER . . . . . . . . . . . . . 38.5 t -79.4 135.88 36.81 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.32 0.581 . . . . 1.37 110.733 -178.517 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 594' ' ' THR . . . . . . . . . . . . . 22.9 p -89.91 -18.61 25.8 Favored 'General case' 0 C--N 1.316 -0.858 0 CA-C-N 115.043 -0.98 . . . . 0.38 111.229 -179.285 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 595' ' ' ARG . . . . . . . . . . . . . 97.8 mtt180 -103.23 -27.84 12.26 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.984 -0.553 . . . . 2.75 112.177 -169.409 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 596' ' ' TYR . . . . . . . . . . . . . 32.7 m-85 -116.86 144.13 44.87 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.129 0.49 . . . . 0.65 111.912 -177.875 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 597' ' ' LYS . . . . . 0.414 ' N ' ' HD2' ' A' ' 597' ' ' LYS . 0.6 OUTLIER -106.11 -24.25 12.41 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.486 -0.779 . . . . 2.18 111.357 178.757 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 598' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -142.68 149.11 38.42 Favored 'General case' 0 C--N 1.327 -0.402 0 C-N-CA 120.412 -0.515 . . . . 0.95 111.269 179.243 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 599' ' ' LEU . . . . . 0.832 HD21 HG13 ' A' ' 521' ' ' VAL . 59.7 mt -100.49 121.79 42.15 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.35 -0.841 . . . . 0.45 111.383 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 600' ' ' GLN . . . . . . . . . . . . . 45.0 tt0 -101.42 117.53 35.14 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.832 -0.622 . . . . 1.52 110.072 177.881 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 601' ' ' LEU . . . . . . . . . . . . . 79.2 mt -77.21 95.5 4.32 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 120.661 0.267 . . . . 0.46 110.438 177.185 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 602' ' ' LYS . . . . . . . . . . . . . 52.6 mttp -81.13 -18.61 45.83 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.231 0.539 . . . . 1.73 109.892 175.463 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 603' ' ' LYS . . . . . . . . . . . . . 75.1 mmtt . . . . . 0 C--N 1.323 -0.572 0 CA-C-N 115.448 -0.796 . . . . 1.69 109.928 -179.46 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 607' ' ' ASN . . . . . . . . . . . . . 28.5 t-20 . . . . . 0 N--CA 1.454 -0.239 0 CA-C-O 121.238 0.542 . . . . 1.33 110.514 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 608' ' ' VAL . . . . . 0.582 HG11 ' HB ' ' A' ' 547' ' ' VAL . 98.3 t -81.18 -20.44 11.11 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-N 115.406 -0.815 . . . . 0.3 111.443 -173.598 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 609' ' ' ALA . . . . . . . . . . . . . . . -63.7 -34.93 78.96 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.492 0.663 . . . . 0.44 110.234 175.068 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 610' ' ' ALA . . . . . . . . . . . . . . . -66.48 -27.37 67.74 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.584 -0.735 . . . . 0.4 110.301 176.153 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 611' ' ' ILE . . . . . 0.421 ' CD1' HD12 ' A' ' 538' ' ' ILE . 72.8 mt -70.75 -30.76 43.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 N-CA-C 109.501 -0.555 . . . . 0.25 109.501 177.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 612' ' ' ILE . . . . . 0.439 HG12 HD13 ' A' ' 542' ' ' LEU . 66.4 mt -61.25 -39.22 81.82 Favored 'Isoleucine or valine' 0 C--O 1.233 0.198 0 N-CA-C 109.583 -0.525 . . . . 0.31 109.583 171.13 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 613' ' ' GLN . . . . . . . . . . . . . 12.0 mm100 -65.12 -32.55 74.31 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.752 -0.658 . . . . 2.31 110.125 176.912 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 614' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -66.14 -37.96 86.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.568 -0.742 . . . . 1.95 110.403 176.608 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 615' ' ' ILE . . . . . 0.517 HD11 ' HA ' ' A' ' 539' ' ' ASN . 84.1 mt -68.06 -34.34 66.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 115.998 -0.547 . . . . 0.35 110.188 176.182 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 616' ' ' HIS . . . . . . . . . . . . . 62.3 m170 -63.16 -36.52 83.89 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.961 -0.563 . . . . 1.26 110.56 179.224 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 617' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.448 -0.566 0 CA-C-N 116.58 -0.282 . . . . 1.18 111.444 176.109 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 520' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.514 -0.434 0 CA-C-O 121.16 0.505 . . . . 2.22 110.784 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 521' ' ' VAL . . . . . 0.681 HG13 HD21 ' A' ' 599' ' ' LEU . 59.2 t -115.18 118.43 58.78 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.753 0 N-CA-C 109.113 -0.699 . . . . 0.32 109.113 169.404 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 522' ' ' VAL . . . . . 0.775 HG21 ' SD ' ' A' ' 563' ' ' MET . 21.9 t -121.59 123.5 69.62 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.976 0 N-CA-C 107.773 -1.195 . . . . 0.22 107.773 178.953 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 523' ' ' HIS . . . . . . . . . . . . . 48.0 t-80 -104.71 128.77 52.9 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-O 121.054 0.454 . . . . 0.44 109.928 -173.894 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 524' ' ' ILE . . . . . 0.44 HG23 HG12 ' A' ' 590' ' ' ILE . 31.6 mt -111.61 139.67 34.72 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.081 0 N-CA-C 108.352 -0.981 . . . . 0.19 108.352 178.745 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 525' ' ' CYS . . . . . 0.601 ' SG ' ' HB3' ' A' ' 589' ' ' LEU . 6.0 p -138.07 165.54 26.36 Favored 'General case' 0 C--N 1.313 -0.989 0 C-N-CA 120.448 -0.501 . . . . 1.17 111.342 -177.604 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 526' ' ' ASN . . . . . 0.484 ' HB2' ' O ' ' A' ' 525' ' ' CYS . 93.0 m-20 86.5 25.98 0.05 Allowed 'General case' 0 N--CA 1.468 0.47 0 O-C-N 124.985 1.428 . . . . 0.26 109.969 176.272 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 527' ' ' LEU . . . . . 0.538 ' HB3' ' SG ' ' A' ' 532' ' ' CYS . 79.2 mt -84.97 125.35 70.84 Favored Pre-proline 0 C--N 1.323 -0.57 0 CA-C-N 114.929 -1.032 . . . . 0.25 108.612 175.885 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 528' ' ' PRO . . . . . 0.425 ' HD3' ' HA ' ' A' ' 527' ' ' LEU . 2.6 Cg_exo -73.91 133.93 19.06 Favored 'Trans proline' 0 N--CA 1.457 -0.627 0 C-N-CA 121.509 1.473 . . . . 0.38 111.265 179.061 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 529' ' ' GLU . . . . . . . . . . . . . 66.9 tt0 -64.69 138.75 58.57 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 109.509 -0.552 . . . . 1.6 109.509 177.117 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 530' ' ' GLY . . . . . . . . . . . . . . . 87.7 3.52 80.55 Favored Glycine 0 N--CA 1.444 -0.782 0 C-N-CA 120.286 -0.959 . . . . 0.48 110.923 -173.034 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 531' ' ' SER . . . . . . . . . . . . . 48.8 m -148.04 2.74 0.69 Allowed 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.03 0.443 . . . . 1.08 110.358 -174.483 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 532' ' ' CYS . . . . . 0.538 ' SG ' ' HB3' ' A' ' 527' ' ' LEU . 35.0 m -89.08 85.72 6.74 Favored 'General case' 0 CA--C 1.513 -0.446 0 N-CA-C 108.404 -0.961 . . . . 0.25 108.404 178.712 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 533' ' ' THR . . . . . 0.528 ' O ' HG23 ' A' ' 537' ' ' VAL . 46.2 p -97.07 151.93 19.27 Favored 'General case' 0 C--N 1.314 -0.941 0 C-N-CA 119.737 -0.785 . . . . 0.35 109.015 -178.4 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 534' ' ' GLU . . . . . 0.487 ' N ' HD11 ' A' ' 552' ' ' LEU . 37.2 mt-10 -65.58 -33.27 75.51 Favored 'General case' 0 C--N 1.318 -0.764 0 N-CA-C 108.537 -0.912 . . . . 1.64 108.537 176.233 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 535' ' ' ASN . . . . . . . . . . . . . 12.6 m120 -62.39 -49.55 75.05 Favored 'General case' 0 C--O 1.213 -0.848 0 CA-C-N 114.682 -1.145 . . . . 1.82 111.644 -179.84 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 536' ' ' ASP . . . . . . . . . . . . . 18.6 m-20 -69.18 -45.67 69.4 Favored 'General case' 0 N--CA 1.47 0.568 0 CA-C-N 118.672 0.669 . . . . 0.61 111.101 -173.554 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 537' ' ' VAL . . . . . 0.528 HG23 ' O ' ' A' ' 533' ' ' THR . 35.7 t -59.77 -48.73 86.49 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 CA-C-N 114.938 -1.028 . . . . 0.15 110.055 -178.053 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 538' ' ' ILE . . . . . 0.723 HD11 ' CG ' ' A' ' 550' ' ' TYR . 41.7 mt -69.42 -34.48 62.43 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.658 0 CA-C-N 115.59 -0.732 . . . . 0.23 112.042 176.782 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 539' ' ' ASN . . . . . 0.478 ' HA ' HD11 ' A' ' 615' ' ' ILE . 98.2 m-20 -59.21 -26.58 64.96 Favored 'General case' 0 CA--C 1.515 -0.37 0 O-C-N 122.239 -0.288 . . . . 0.25 110.661 178.476 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 540' ' ' LEU . . . . . . . . . . . . . 97.3 mt -75.83 -42.05 50.77 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 109.867 -0.419 . . . . 0.27 109.867 172.382 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 541' ' ' GLY . . . . . 0.531 ' HA3' HD21 ' A' ' 561' ' ' LEU . . . -63.31 -51.37 55.32 Favored Glycine 0 CA--C 1.524 0.607 0 N-CA-C 115.489 0.955 . . . . 0.19 115.489 -179.759 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 542' ' ' LEU . . . . . 0.478 HD13 HG12 ' A' ' 612' ' ' ILE . 74.1 mt -56.25 -45.82 99.87 Favored Pre-proline 0 C--N 1.319 -0.736 0 N-CA-C 114.548 1.314 . . . . 0.2 114.548 -169.339 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 543' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_exo -59.11 -25.55 78.38 Favored 'Trans proline' 0 C--N 1.349 0.574 0 C-N-CA 122.272 1.981 . . . . 0.23 114.143 -177.654 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 544' ' ' PHE . . . . . 0.448 ' HB2' ' HE2' ' A' ' 572' ' ' MET . 67.2 m-85 -98.93 -11.33 21.73 Favored 'General case' 0 C--N 1.331 -0.202 0 O-C-N 121.916 -0.49 . . . . 0.33 111.071 178.65 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 545' ' ' GLY . . . . . 0.439 ' O ' ' HA ' ' A' ' 542' ' ' LEU . . . 169.78 154.47 9.29 Favored Glycine 0 N--CA 1.449 -0.444 0 C-N-CA 120.976 -0.63 . . . . 0.44 112.122 -177.298 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 546' ' ' LYS . . . . . . . . . . . . . 40.4 ttmt -66.11 131.95 47.37 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 120.754 0.311 . . . . 2.07 111.066 -178.662 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 547' ' ' VAL . . . . . 0.598 ' HB ' HG11 ' A' ' 608' ' ' VAL . 69.9 t -90.08 116.72 31.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-N 116.01 -0.541 . . . . 0.2 111.034 177.517 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 548' ' ' THR . . . . . . . . . . . . . 21.4 p -94.65 -35.18 12.3 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 112.122 0.416 . . . . 0.31 112.122 178.14 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 549' ' ' ASN . . . . . 0.504 ' HB2' ' HB3' ' A' ' 562' ' ' GLU . 4.8 m-20 -140.9 150.09 42.74 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.828 0.347 . . . . 1.26 110.402 -176.954 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 550' ' ' TYR . . . . . 0.723 ' CG ' HD11 ' A' ' 538' ' ' ILE . 3.7 p90 -157.62 151.01 23.63 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.98 -0.555 . . . . 0.31 109.955 179.321 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 551' ' ' ILE . . . . . 0.495 ' HB ' ' HB2' ' A' ' 560' ' ' PHE . 72.1 mt -144.48 124.05 7.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 N-CA-C 108.801 -0.814 . . . . 0.22 108.801 -175.201 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 552' ' ' LEU . . . . . 0.487 HD11 ' N ' ' A' ' 534' ' ' GLU . 26.7 mt -108.32 119.03 38.31 Favored 'General case' 0 C--N 1.319 -0.752 0 C-N-CA 120.398 -0.521 . . . . 0.43 110.718 -179.034 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 553' ' ' MET . . . . . . . . . . . . . 61.2 mtm -109.54 83.38 1.74 Allowed 'General case' 0 C--N 1.32 -0.7 0 C-N-CA 119.676 -0.809 . . . . 1.03 109.252 178.837 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 554' ' ' LYS . . . . . 0.429 ' HD2' ' HB2' ' A' ' 532' ' ' CYS . 23.9 mmtp -53.35 -27.16 22.09 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 114.698 -1.137 . . . . 1.03 112.262 174.669 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 555' ' ' SER . . . . . . . . . . . . . 66.5 p -68.77 -44.14 74.3 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.986 0.422 . . . . 0.51 110.977 -175.593 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 556' ' ' THR . . . . . 0.458 ' O ' ' HG3' ' A' ' 558' ' ' GLN . 40.6 p -98.68 2.32 47.03 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 112.311 0.486 . . . . 0.45 112.311 -176.869 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 557' ' ' ASN . . . . . . . . . . . . . 36.5 m-80 58.31 39.16 25.81 Favored 'General case' 0 N--CA 1.467 0.424 0 CA-C-O 121.986 0.898 . . . . 1.28 110.104 -177.001 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 558' ' ' GLN . . . . . 0.458 ' HG3' ' O ' ' A' ' 556' ' ' THR . 73.0 mt-30 -139.83 164.35 30.21 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 114.593 -1.185 . . . . 0.84 108.988 -176.385 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 559' ' ' ALA . . . . . 0.432 ' HB1' HD23 ' A' ' 552' ' ' LEU . . . -157.02 164.63 37.76 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 120.942 0.401 . . . . 0.16 111.455 -177.503 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 560' ' ' PHE . . . . . 0.495 ' HB2' ' HB ' ' A' ' 551' ' ' ILE . 91.0 m-85 -120.96 148.78 43.62 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.013 -0.539 . . . . 0.35 110.953 177.3 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 561' ' ' LEU . . . . . 0.626 ' O ' ' HB ' ' A' ' 522' ' ' VAL . 55.5 tp -143.03 118.2 10.14 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.492 -0.776 . . . . 0.2 109.897 -178.73 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 562' ' ' GLU . . . . . 0.504 ' HB3' ' HB2' ' A' ' 549' ' ' ASN . 43.7 tt0 -101.14 131.22 47.19 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.44 0.638 . . . . 2.09 111.113 174.795 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 563' ' ' MET . . . . . 0.775 ' SD ' HG21 ' A' ' 522' ' ' VAL . 2.1 mpt? -102.9 146.81 27.74 Favored 'General case' 0 C--N 1.314 -0.947 0 CA-C-N 114.806 -1.088 . . . . 0.39 108.79 175.332 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 564' ' ' ALA . . . . . . . . . . . . . . . -66.56 -15.98 63.82 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.015 -0.539 . . . . 0.5 111.48 -172.785 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 565' ' ' TYR . . . . . 0.502 ' HB3' ' HG2' ' A' ' 567' ' ' GLU . 74.8 m-85 -138.89 138.27 37.27 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 109.111 -0.699 . . . . 1.15 109.111 -178.125 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 566' ' ' THR . . . . . . . . . . . . . 15.2 t -63.84 -26.59 68.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.145 -0.48 . . . . 0.57 110.726 -177.484 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 567' ' ' GLU . . . . . 0.502 ' HG2' ' HB3' ' A' ' 565' ' ' TYR . 4.0 pt-20 -55.99 -33.71 65.11 Favored 'General case' 0 C--N 1.334 -0.107 0 CA-C-N 116.07 -0.514 . . . . 0.89 111.25 175.722 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 568' ' ' ALA . . . . . 0.658 ' O ' ' HG3' ' A' ' 572' ' ' MET . . . -73.52 -42.65 61.49 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.027 -0.533 . . . . 0.26 110.472 -176.34 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 569' ' ' ALA . . . . . 0.5 ' O ' HG23 ' A' ' 573' ' ' VAL . . . -64.95 -45.39 85.96 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.003 -0.544 . . . . 0.24 111.039 -176.816 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 570' ' ' GLN . . . . . . . . . . . . . 18.6 pt20 -68.57 -35.87 77.98 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.037 -0.529 . . . . 1.24 110.779 -179.161 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 571' ' ' ALA . . . . . . . . . . . . . . . -62.53 -41.76 99.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.858 0.361 . . . . 0.31 110.747 177.764 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 572' ' ' MET . . . . . 0.658 ' HG3' ' O ' ' A' ' 568' ' ' ALA . 52.6 mtt -65.35 -43.44 90.85 Favored 'General case' 0 CA--C 1.516 -0.349 0 CA-C-N 116.105 -0.498 . . . . 0.47 110.744 -179.51 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 573' ' ' VAL . . . . . 0.533 ' O ' ' HG2' ' A' ' 577' ' ' GLN . 57.4 t -58.71 -47.13 89.91 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.371 0 N-CA-C 109.817 -0.438 . . . . 0.34 109.817 179.663 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 574' ' ' GLN . . . . . . . . . . . . . 45.2 mt-30 -60.81 -39.84 90.49 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.949 0.404 . . . . 2.09 110.719 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 575' ' ' TYR . . . . . . . . . . . . . 76.1 t80 -69.08 -51.97 33.19 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.879 -0.601 . . . . 0.48 111.035 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 576' ' ' TYR . . . . . 0.567 ' CE2' HD12 ' A' ' 590' ' ' ILE . 70.1 m-85 -76.42 -14.21 60.07 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 113.23 0.826 . . . . 0.36 113.23 -175.586 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 577' ' ' GLN . . . . . 0.533 ' HG2' ' O ' ' A' ' 573' ' ' VAL . 14.6 mm100 -68.46 -40.96 80.87 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 108.999 -0.741 . . . . 1.89 108.999 169.64 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 578' ' ' GLU . . . . . . . . . . . . . 8.5 mm-40 -85.22 -38.94 18.36 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-N 115.574 -0.739 . . . . 2.14 110.957 -179.849 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 579' ' ' LYS . . . . . 0.478 ' O ' ' HA ' ' A' ' 576' ' ' TYR . 28.6 mtpp -137.54 95.41 11.37 Favored Pre-proline 0 C--N 1.328 -0.339 0 C-N-CA 122.433 0.293 . . . . 2.46 110.844 178.067 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 580' ' ' PRO . . . . . . . . . . . . . 42.4 Cg_endo -67.06 160.78 45.69 Favored 'Trans proline' 0 C--O 1.235 0.36 0 C-N-CA 122.329 2.019 . . . . 0.37 111.614 176.915 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 581' ' ' ALA . . . . . 0.425 ' HB2' ' CE1' ' A' ' 576' ' ' TYR . . . -91.15 136.17 33.27 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 110.045 -0.354 . . . . 0.27 110.045 -177.481 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 582' ' ' ILE . . . . . . . . . . . . . 60.4 mt -101.05 118.44 47.78 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.935 0 CA-C-O 120.887 0.375 . . . . 0.51 111.233 -174.318 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 583' ' ' ILE . . . . . . . . . . . . . 28.5 mm -125.62 112.4 30.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-N 116.015 -0.539 . . . . 0.51 109.763 173.699 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 584' ' ' ASN . . . . . . . . . . . . . 3.3 m-20 57.97 36.59 26.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.42 0.629 . . . . 1.1 110.266 178.236 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 585' ' ' GLY . . . . . . . . . . . . . . . 84.52 -2.29 88.1 Favored Glycine 0 N--CA 1.445 -0.706 0 CA-C-N 115.08 -0.964 . . . . 0.44 113.358 179.67 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 586' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -101.05 125.71 47.68 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 117.236 0.518 . . . . 1.79 111.232 -178.179 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 587' ' ' LYS . . . . . . . . . . . . . 96.7 mttt -81.01 114.72 20.07 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.17 -0.923 . . . . 1.67 111.423 178.181 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 588' ' ' LEU . . . . . . . . . . . . . 35.7 mt -78.59 141.59 37.95 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.396 -0.82 . . . . 0.24 111.206 -177.235 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 589' ' ' LEU . . . . . 0.601 ' HB3' ' SG ' ' A' ' 525' ' ' CYS . 62.3 tp -112.89 112.03 23.21 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.702 -0.681 . . . . 0.38 110.324 177.413 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 590' ' ' ILE . . . . . 0.567 HD12 ' CE2' ' A' ' 576' ' ' TYR . 19.4 mt -102.21 117.87 48.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 N-CA-C 109.883 -0.414 . . . . 0.26 109.883 175.569 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 591' ' ' ARG . . . . . 0.475 ' NE ' HD11 ' A' ' 589' ' ' LEU . 99.4 mtt180 -145.95 165.97 27.41 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 109.741 -0.466 . . . . 2.62 109.741 -179.677 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 592' ' ' MET . . . . . . . . . . . . . 58.9 mtt -81.43 150.76 28.2 Favored 'General case' 0 C--N 1.323 -0.587 0 N-CA-C 110.262 -0.273 . . . . 0.34 110.262 -176.382 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 593' ' ' SER . . . . . 0.404 ' OG ' HG12 ' A' ' 521' ' ' VAL . 18.7 m -94.41 135.45 35.82 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.496 0.665 . . . . 1.37 111.089 -177.969 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 594' ' ' THR . . . . . . . . . . . . . 40.2 p -90.25 -9.18 48.92 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-N 114.343 -1.299 . . . . 0.38 112.425 -171.278 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 595' ' ' ARG . . . . . . . . . . . . . 68.2 mtp180 -102.94 -29.07 11.64 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 112.565 0.58 . . . . 2.75 112.565 -171.611 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 596' ' ' TYR . . . . . . . . . . . . . 97.7 m-85 -127.23 157.46 39.74 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.249 0.547 . . . . 0.65 112.051 -172.714 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 597' ' ' LYS . . . . . 0.416 ' C ' HG23 ' A' ' 521' ' ' VAL . 49.9 mtmt -107.89 -21.95 12.64 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.148 -0.933 . . . . 2.18 111.499 176.828 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 598' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -141.84 150.15 41.24 Favored 'General case' 0 C--N 1.33 -0.246 0 C-N-CA 120.262 -0.575 . . . . 0.95 111.61 -177.198 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 599' ' ' LEU . . . . . 0.681 HD21 HG13 ' A' ' 521' ' ' VAL . 63.2 mt -93.29 125.98 38.18 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.252 -0.885 . . . . 0.45 110.963 176.854 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 600' ' ' GLN . . . . . . . . . . . . . 53.2 tt0 -95.01 110.03 21.99 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.083 -0.508 . . . . 1.52 110.249 178.998 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 601' ' ' LEU . . . . . . . . . . . . . 81.9 mt -75.23 88.57 2.51 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.973 -0.558 . . . . 0.46 111.214 -178.002 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 602' ' ' LYS . . . . . . . . . . . . . 60.7 mttm -76.44 -15.25 59.97 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.492 -0.776 . . . . 1.73 110.728 176.643 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 603' ' ' LYS . . . . . . . . . . . . . 74.4 mmtt . . . . . 0 C--N 1.323 -0.574 0 CA-C-N 116.077 -0.511 . . . . 1.69 110.59 -176.642 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 607' ' ' ASN . . . . . . . . . . . . . 62.3 t30 . . . . . 0 C--O 1.23 0.071 0 CA-C-O 121.014 0.435 . . . . 1.33 110.627 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 608' ' ' VAL . . . . . 0.598 HG11 ' HB ' ' A' ' 547' ' ' VAL . 58.1 t -77.57 -19.48 14.04 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-N 115.901 -0.591 . . . . 0.3 111.32 -173.892 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 609' ' ' ALA . . . . . . . . . . . . . . . -59.74 -35.78 75.26 Favored 'General case' 0 C--O 1.237 0.414 0 CA-C-O 121.179 0.514 . . . . 0.44 111.017 176.552 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 610' ' ' ALA . . . . . . . . . . . . . . . -64.02 -29.12 70.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.976 -0.556 . . . . 0.4 110.507 178.385 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 611' ' ' ILE . . . . . 0.508 ' CD1' HD12 ' A' ' 538' ' ' ILE . 73.1 mt -71.18 -30.93 42.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-N 115.714 -0.676 . . . . 0.25 109.933 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 612' ' ' ILE . . . . . 0.478 HG12 HD13 ' A' ' 542' ' ' LEU . 55.0 mt -61.73 -40.19 85.94 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.22 0 CA-C-O 121.32 0.581 . . . . 0.31 109.596 172.07 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 613' ' ' GLN . . . . . . . . . . . . . 84.1 mt-30 -63.24 -34.81 78.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.504 -0.771 . . . . 2.31 109.705 177.215 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 614' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -65.32 -40.55 93.87 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.035 -0.984 . . . . 1.95 110.427 178.097 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 615' ' ' ILE . . . . . 0.478 HD11 ' HA ' ' A' ' 539' ' ' ASN . 73.9 mt -63.15 -35.28 71.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-O 121.022 0.439 . . . . 0.35 110.347 177.114 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 616' ' ' HIS . . . . . . . . . . . . . 63.4 m170 -63.93 -38.96 92.99 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.989 -0.551 . . . . 1.26 110.868 -178.791 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 617' ' ' SER . . . . . . . . . . . . . 1.3 p . . . . . 0 N--CA 1.453 -0.288 0 CA-C-O 120.762 0.315 . . . . 1.18 111.226 176.504 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 520' ' ' ARG . . . . . . . . . . . . . 37.9 mtm-85 . . . . . 0 CA--C 1.52 -0.188 0 CA-C-O 120.969 0.414 . . . . 2.22 111.137 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 521' ' ' VAL . . . . . 0.535 HG13 HD21 ' A' ' 599' ' ' LEU . 86.8 t -118.03 123.78 72.15 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 CA-C-N 115.651 -0.704 . . . . 0.32 110.484 167.426 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 522' ' ' VAL . . . . . 0.522 ' HB ' ' O ' ' A' ' 561' ' ' LEU . 21.5 t -120.32 122.97 69.62 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.863 0 N-CA-C 107.725 -1.213 . . . . 0.22 107.725 176.172 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 523' ' ' HIS . . . . . . . . . . . . . 43.5 t-80 -104.92 132.84 50.65 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 121.301 0.572 . . . . 0.44 110.785 -171.873 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 524' ' ' ILE . . . . . 0.458 HG23 HG12 ' A' ' 590' ' ' ILE . 33.1 mt -111.03 139.59 34.21 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.824 0 CA-C-N 115.233 -0.894 . . . . 0.19 108.919 179.119 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 525' ' ' CYS . . . . . 0.417 ' O ' ' HB2' ' A' ' 526' ' ' ASN . 38.4 t -134.12 160.43 37.82 Favored 'General case' 0 C--N 1.314 -0.95 0 CA-C-N 116.656 -0.247 . . . . 1.17 110.594 -177.692 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 526' ' ' ASN . . . . . 0.417 ' HB2' ' O ' ' A' ' 525' ' ' CYS . 84.0 m-20 83.92 29.61 0.07 Allowed 'General case' 0 N--CA 1.468 0.466 0 O-C-N 124.599 1.187 . . . . 0.26 110.613 173.363 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 527' ' ' LEU . . . . . 0.565 ' HB3' ' SG ' ' A' ' 532' ' ' CYS . 80.9 mt -88.01 124.45 66.89 Favored Pre-proline 0 C--N 1.323 -0.585 0 N-CA-C 108.291 -1.003 . . . . 0.25 108.291 174.974 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 528' ' ' PRO . . . . . 0.441 ' HD3' ' HA ' ' A' ' 527' ' ' LEU . 2.8 Cg_exo -74.44 133.7 17.83 Favored 'Trans proline' 0 N--CA 1.459 -0.523 0 C-N-CA 121.674 1.583 . . . . 0.38 112.145 -178.405 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 529' ' ' GLU . . . . . . . . . . . . . 45.4 tt0 -64.96 130.93 45.18 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.5 -0.555 . . . . 1.6 109.5 176.794 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 530' ' ' GLY . . . . . . . . . . . . . . . 94.48 2.76 63.33 Favored Glycine 0 N--CA 1.447 -0.62 0 C-N-CA 120.497 -0.859 . . . . 0.48 110.965 -173.208 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 531' ' ' SER . . . . . . . . . . . . . 28.5 t -144.46 2.72 1.11 Allowed 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.515 0.674 . . . . 1.08 109.484 -178.15 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 532' ' ' CYS . . . . . 0.565 ' SG ' ' HB3' ' A' ' 527' ' ' LEU . 84.1 m -89.82 87.12 6.84 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 108.915 -0.772 . . . . 0.25 108.915 -178.5 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 533' ' ' THR . . . . . 0.456 ' O ' HG23 ' A' ' 537' ' ' VAL . 26.5 p -101.63 152.38 20.89 Favored 'General case' 0 C--N 1.318 -0.77 0 N-CA-C 108.705 -0.85 . . . . 0.35 108.705 -179.709 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 534' ' ' GLU . . . . . 0.782 ' HA ' HD11 ' A' ' 552' ' ' LEU . 1.7 mp0 -63.74 -34.15 77.24 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 121.329 0.585 . . . . 1.64 109.491 177.673 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 535' ' ' ASN . . . . . . . . . . . . . 8.7 t-20 -63.25 -48.09 79.7 Favored 'General case' 0 N--CA 1.445 -0.69 0 CA-C-N 114.932 -1.031 . . . . 1.82 111.161 -177.247 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 536' ' ' ASP . . . . . . . . . . . . . 34.1 m-20 -69.71 -45.65 67.76 Favored 'General case' 0 N--CA 1.476 0.839 0 CA-C-O 121.536 0.684 . . . . 0.61 111.348 -173.391 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 537' ' ' VAL . . . . . 0.456 HG23 ' O ' ' A' ' 533' ' ' THR . 38.4 t -59.62 -45.67 93.96 Favored 'Isoleucine or valine' 0 C--O 1.242 0.66 0 CA-C-N 114.916 -1.038 . . . . 0.15 109.631 -179.056 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 538' ' ' ILE . . . . . 0.612 HG23 HG21 ' A' ' 547' ' ' VAL . 62.0 mt -67.84 -33.45 61.61 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 CA-C-N 115.25 -0.886 . . . . 0.23 111.23 175.338 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 539' ' ' ASN . . . . . 0.542 ' HA ' HD11 ' A' ' 615' ' ' ILE . 95.2 m-20 -58.02 -28.42 64.44 Favored 'General case' 0 CA--C 1.512 -0.503 0 O-C-N 122.372 -0.205 . . . . 0.25 110.571 178.015 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 540' ' ' LEU . . . . . 0.498 HD11 HD12 ' A' ' 588' ' ' LEU . 93.8 mt -76.32 -41.41 48.59 Favored 'General case' 0 C--N 1.323 -0.575 0 C-N-CA 120.607 -0.437 . . . . 0.27 110.177 174.152 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 541' ' ' GLY . . . . . 0.502 ' CA ' HD21 ' A' ' 561' ' ' LEU . . . -60.96 -51.45 58.52 Favored Glycine 0 CA--C 1.522 0.514 0 N-CA-C 115.443 0.937 . . . . 0.19 115.443 179.839 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 542' ' ' LEU . . . . . 0.552 ' HA ' ' O ' ' A' ' 545' ' ' GLY . 81.8 mt -60.26 -43.74 94.31 Favored Pre-proline 0 CA--C 1.542 0.637 0 N-CA-C 115.038 1.495 . . . . 0.2 115.038 -168.084 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 543' ' ' PRO . . . . . . . . . . . . . 58.6 Cg_exo -58.04 -27.22 78.66 Favored 'Trans proline' 0 C--N 1.35 0.614 0 C-N-CA 122.169 1.913 . . . . 0.23 113.852 -177.906 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 544' ' ' PHE . . . . . 0.653 ' HB2' ' HE1' ' A' ' 572' ' ' MET . 81.8 m-85 -100.64 -16.64 17.36 Favored 'General case' 0 C--N 1.33 -0.242 0 O-C-N 122.043 -0.411 . . . . 0.33 111.109 178.502 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 545' ' ' GLY . . . . . 0.552 ' O ' ' HA ' ' A' ' 542' ' ' LEU . . . 179.3 156.19 16.86 Favored Glycine 0 N--CA 1.449 -0.479 0 C-N-CA 120.541 -0.838 . . . . 0.44 112.486 179.016 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 546' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -67.08 132.03 47.02 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 120.915 0.388 . . . . 2.07 110.815 -178.647 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 547' ' ' VAL . . . . . 0.612 HG21 HG23 ' A' ' 538' ' ' ILE . 70.9 t -87.7 115.28 27.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-N 116.038 -0.528 . . . . 0.2 110.34 178.743 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 548' ' ' THR . . . . . . . . . . . . . 20.6 p -98.33 -33.86 10.9 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.978 -0.556 . . . . 0.31 111.648 178.47 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 549' ' ' ASN . . . . . 0.407 ' HB2' ' CD ' ' A' ' 562' ' ' GLU . 90.3 m-20 -141.84 157.34 45.11 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.18 0.514 . . . . 1.26 110.635 176.189 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 550' ' ' TYR . . . . . 0.434 ' CD1' HD11 ' A' ' 538' ' ' ILE . 3.3 p90 -162.22 151.53 15.75 Favored 'General case' 0 C--N 1.317 -0.832 0 CA-C-N 115.427 -0.806 . . . . 0.31 109.035 179.284 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 551' ' ' ILE . . . . . . . . . . . . . 35.9 mt -142.84 122.43 9.25 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 N-CA-C 108.081 -1.081 . . . . 0.22 108.081 179.292 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 552' ' ' LEU . . . . . 0.782 HD11 ' HA ' ' A' ' 534' ' ' GLU . 20.5 mt -110.33 127.29 54.96 Favored 'General case' 0 C--N 1.312 -1.044 0 C-N-CA 119.194 -1.002 . . . . 0.43 110.086 -178.84 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 553' ' ' MET . . . . . . . . . . . . . 65.5 mtm -108.84 83.74 1.81 Allowed 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 108.505 -0.924 . . . . 1.03 108.505 178.49 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 554' ' ' LYS . . . . . 0.531 ' HD2' ' HB2' ' A' ' 532' ' ' CYS . 16.1 mmtp -53.25 -29.06 30.7 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 114.997 -1.002 . . . . 1.03 111.938 177.124 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 555' ' ' SER . . . . . . . . . . . . . 67.2 p -70.8 -40.89 72.25 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 120.695 0.283 . . . . 0.51 111.739 -174.818 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 556' ' ' THR . . . . . . . . . . . . . 42.1 p -98.5 3.99 48.25 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 112.064 0.394 . . . . 0.45 112.064 -176.168 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 557' ' ' ASN . . . . . . . . . . . . . 30.1 m-80 58.17 38.43 26.33 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-O 121.392 0.615 . . . . 1.28 110.555 -177.163 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 558' ' ' GLN . . . . . . . . . . . . . 77.8 mt-30 -143.3 164.35 30.48 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.554 -0.748 . . . . 0.84 109.665 -176.516 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 559' ' ' ALA . . . . . . . . . . . . . . . -157.44 166.22 33.59 Favored 'General case' 0 N--CA 1.451 -0.421 0 CA-C-O 121.594 0.711 . . . . 0.16 112.882 -176.255 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 560' ' ' PHE . . . . . . . . . . . . . 97.7 m-85 -120.61 139.18 53.35 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 114.902 -1.044 . . . . 0.35 109.838 175.446 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 561' ' ' LEU . . . . . 0.522 ' O ' ' HB ' ' A' ' 522' ' ' VAL . 45.7 tp -134.33 119.47 18.71 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 120.988 0.423 . . . . 0.2 110.313 -179.724 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 562' ' ' GLU . . . . . 0.788 ' HB2' HD12 ' A' ' 599' ' ' LEU . 34.5 tt0 -100.55 122.57 43.47 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.478 0.656 . . . . 2.09 111.021 -179.327 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 563' ' ' MET . . . . . 0.639 ' HE1' ' HG3' ' A' ' 572' ' ' MET . 0.0 OUTLIER -102.49 157.76 16.69 Favored 'General case' 0 C--N 1.317 -0.821 0 CA-C-N 114.865 -1.061 . . . . 0.39 108.781 177.654 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 564' ' ' ALA . . . . . . . . . . . . . . . -76.91 -16.32 59.42 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 111.869 0.322 . . . . 0.5 111.869 -172.542 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 565' ' ' TYR . . . . . 0.436 ' HB3' ' HG2' ' A' ' 567' ' ' GLU . 77.8 m-85 -141.13 150.06 42.34 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.018 0.437 . . . . 1.15 110.509 178.102 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 566' ' ' THR . . . . . . . . . . . . . 12.2 t -67.91 -26.93 66.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.687 -0.688 . . . . 0.57 110.363 -179.74 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 567' ' ' GLU . . . . . 0.436 ' HG2' ' HB3' ' A' ' 565' ' ' TYR . 10.9 pt-20 -57.04 -32.57 66.33 Favored 'General case' 0 CA--C 1.524 -0.054 0 CA-C-N 115.951 -0.568 . . . . 0.89 110.703 175.39 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 568' ' ' ALA . . . . . 0.759 ' O ' ' HG2' ' A' ' 572' ' ' MET . . . -73.61 -42.38 61.58 Favored 'General case' 0 N--CA 1.449 -0.524 0 CA-C-N 115.678 -0.692 . . . . 0.26 109.852 -179.6 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 569' ' ' ALA . . . . . 0.438 ' O ' HG23 ' A' ' 573' ' ' VAL . . . -63.55 -45.25 91.4 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.771 -0.649 . . . . 0.24 111.526 -175.282 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 570' ' ' GLN . . . . . 0.504 ' O ' ' HG2' ' A' ' 574' ' ' GLN . 3.6 pt20 -68.83 -35.24 76.72 Favored 'General case' 0 C--N 1.328 -0.369 0 C-N-CA 120.657 -0.417 . . . . 1.24 110.365 178.522 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 571' ' ' ALA . . . . . . . . . . . . . . . -61.54 -38.2 86.57 Favored 'General case' 0 N--CA 1.454 -0.262 0 CA-C-N 116.391 -0.368 . . . . 0.31 110.322 177.525 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 572' ' ' MET . . . . . 0.759 ' HG2' ' O ' ' A' ' 568' ' ' ALA . 17.7 mmt -60.08 -49.76 76.39 Favored 'General case' 0 CA--C 1.517 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.47 109.775 176.339 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 573' ' ' VAL . . . . . 0.57 HG22 ' HA ' ' A' ' 591' ' ' ARG . 58.5 t -63.57 -49.28 83.12 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.376 0 CA-C-N 115.506 -0.77 . . . . 0.34 110.193 -175.735 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 574' ' ' GLN . . . . . 0.504 ' HG2' ' O ' ' A' ' 570' ' ' GLN . 84.7 mm-40 -62.26 -37.97 87.5 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.369 -0.378 . . . . 2.09 110.608 -178.027 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 575' ' ' TYR . . . . . . . . . . . . . 62.5 t80 -69.79 -54.44 13.64 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.151 -0.477 . . . . 0.48 111.257 -178.177 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 576' ' ' TYR . . . . . 0.596 ' CE2' HD12 ' A' ' 590' ' ' ILE . 65.3 m-85 -77.94 -14.1 59.65 Favored 'General case' 0 N--CA 1.465 0.295 0 N-CA-C 113.474 0.916 . . . . 0.36 113.474 -173.829 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 577' ' ' GLN . . . . . 0.457 ' HG2' ' O ' ' A' ' 573' ' ' VAL . 13.9 mm100 -67.28 -42.83 83.14 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 109.439 -0.578 . . . . 1.89 109.439 172.125 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 578' ' ' GLU . . . . . . . . . . . . . 31.1 mm-40 -91.5 -38.17 12.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.812 -0.631 . . . . 2.14 111.495 -179.745 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 579' ' ' LYS . . . . . 0.43 ' O ' ' HA ' ' A' ' 576' ' ' TYR . 62.6 mttp -128.16 85.36 60.72 Favored Pre-proline 0 C--N 1.329 -0.301 0 N-CA-C 110.043 -0.355 . . . . 2.46 110.043 177.476 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 580' ' ' PRO . . . . . . . . . . . . . 37.6 Cg_endo -66.11 159.34 50.01 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.375 2.05 . . . . 0.37 112.601 -177.836 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 581' ' ' ALA . . . . . 0.524 ' HB2' ' CE1' ' A' ' 576' ' ' TYR . . . -92.11 134.89 34.43 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 109.632 -0.507 . . . . 0.27 109.632 177.942 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 582' ' ' ILE . . . . . . . . . . . . . 67.8 mt -104.02 120.37 54.13 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.704 0 CA-C-O 120.791 0.329 . . . . 0.51 111.594 -175.214 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 583' ' ' ILE . . . . . 0.461 ' CG1' HD11 ' A' ' 588' ' ' LEU . 28.1 mm -125.56 115.11 42.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 N-CA-C 109.618 -0.512 . . . . 0.51 109.618 173.844 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 584' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 58.47 33.55 23.21 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.286 0.565 . . . . 1.1 110.197 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 585' ' ' GLY . . . . . . . . . . . . . . . 85.57 -0.16 88.18 Favored Glycine 0 N--CA 1.446 -0.666 0 CA-C-N 115.457 -0.792 . . . . 0.44 113.534 178.697 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 586' ' ' GLU . . . . . . . . . . . . . 76.3 mm-40 -101.48 126.79 48.32 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 117.412 0.606 . . . . 1.79 111.262 -179.2 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 587' ' ' LYS . . . . . . . . . . . . . 58.9 mttp -73.98 113.77 11.54 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.446 -0.797 . . . . 1.67 110.595 174.443 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 588' ' ' LEU . . . . . 0.498 HD12 HD11 ' A' ' 540' ' ' LEU . 45.3 mt -75.86 141.03 42.52 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 116.018 -0.537 . . . . 0.24 110.76 -178.596 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 589' ' ' LEU . . . . . 0.445 HD11 ' CZ ' ' A' ' 591' ' ' ARG . 35.5 tp -112.23 111.08 21.71 Favored 'General case' 0 C--N 1.317 -0.84 0 CA-C-N 115.765 -0.652 . . . . 0.38 110.467 -179.937 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 590' ' ' ILE . . . . . 0.596 HD12 ' CE2' ' A' ' 576' ' ' TYR . 17.4 mt -107.21 118.58 55.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 N-CA-C 110.193 -0.299 . . . . 0.26 110.193 175.862 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 591' ' ' ARG . . . . . 0.57 ' HA ' HG22 ' A' ' 573' ' ' VAL . 97.4 mtt180 -145.23 166.45 25.45 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 109.763 -0.458 . . . . 2.62 109.763 -178.405 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 592' ' ' MET . . . . . . . . . . . . . 39.5 mtt -76.92 151.24 35.84 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 120.717 0.294 . . . . 0.34 110.639 -177.0 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 593' ' ' SER . . . . . . . . . . . . . 45.3 t -87.14 134.86 33.47 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.264 0.554 . . . . 1.37 110.872 -179.616 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 594' ' ' THR . . . . . . . . . . . . . 19.3 p -90.83 -16.27 28.56 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 114.932 -1.031 . . . . 0.38 110.927 177.28 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 595' ' ' ARG . . . . . . . . . . . . . 98.2 mtt180 -102.9 -28.61 11.94 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 112.697 0.629 . . . . 2.75 112.697 -169.118 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 596' ' ' TYR . . . . . . . . . . . . . 96.9 m-85 -127.82 144.02 51.1 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.79 0.328 . . . . 0.65 111.778 -176.738 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 597' ' ' LYS . . . . . 0.41 ' N ' ' HD2' ' A' ' 597' ' ' LYS . 9.0 mptt -109.05 -9.95 15.04 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.065 -0.516 . . . . 2.18 111.552 175.604 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 598' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -143.84 149.51 37.08 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 120.488 -0.485 . . . . 0.95 110.808 -178.466 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 599' ' ' LEU . . . . . 0.788 HD12 ' HB2' ' A' ' 562' ' ' GLU . 33.3 mt -101.02 123.03 44.58 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.789 -0.641 . . . . 0.45 111.45 176.289 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 600' ' ' GLN . . . . . . . . . . . . . 50.3 tt0 -102.56 110.65 22.66 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.58 -0.736 . . . . 1.52 109.813 176.044 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 601' ' ' LEU . . . . . . . . . . . . . 29.7 mt -77.53 104.33 7.99 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.528 -0.306 . . . . 0.46 111.36 -178.336 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 602' ' ' LYS . . . . . . . . . . . . . 33.8 mtmt -82.57 -20.06 37.27 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 109.409 -0.589 . . . . 1.73 109.409 172.079 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 603' ' ' LYS . . . . . . . . . . . . . 34.4 mmtp . . . . . 0 C--N 1.326 -0.441 0 CA-C-N 115.357 -0.838 . . . . 1.69 110.049 -178.694 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 607' ' ' ASN . . . . . . . . . . . . . 47.0 t30 . . . . . 0 C--O 1.234 0.26 0 CA-C-O 121.026 0.441 . . . . 1.33 111.425 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 608' ' ' VAL . . . . . 0.533 HG11 ' HB ' ' A' ' 547' ' ' VAL . 56.6 t -95.36 -22.48 5.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 115.849 -0.614 . . . . 0.3 110.359 178.971 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 609' ' ' ALA . . . . . . . . . . . . . . . -58.35 -29.07 65.68 Favored 'General case' 0 C--O 1.236 0.394 0 CA-C-O 121.381 0.61 . . . . 0.44 111.229 176.641 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 610' ' ' ALA . . . . . . . . . . . . . . . -64.16 -28.2 69.59 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.968 -0.56 . . . . 0.4 110.192 177.351 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 611' ' ' ILE . . . . . 0.441 ' O ' HG13 ' A' ' 615' ' ' ILE . 74.6 mt -71.37 -29.71 36.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 115.72 -0.673 . . . . 0.25 109.894 177.856 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 612' ' ' ILE . . . . . 0.469 ' CG1' HD13 ' A' ' 542' ' ' LEU . 79.1 mt -60.82 -44.3 97.31 Favored 'Isoleucine or valine' 0 C--O 1.234 0.273 0 CA-C-O 121.284 0.564 . . . . 0.31 109.681 173.538 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 613' ' ' GLN . . . . . . . . . . . . . 74.5 mt-30 -65.67 -31.23 72.13 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.562 -0.744 . . . . 2.31 110.186 177.48 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 614' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -65.8 -44.36 85.91 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.249 -0.887 . . . . 1.95 109.824 178.013 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 615' ' ' ILE . . . . . 0.542 HD11 ' HA ' ' A' ' 539' ' ' ASN . 85.9 mt -59.43 -46.14 92.99 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-N 115.739 -0.664 . . . . 0.35 110.488 176.878 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 616' ' ' HIS . . . . . . . . . . . . . 44.9 m80 -64.01 -27.85 69.4 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.267 -0.424 . . . . 1.26 111.569 -179.565 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 617' ' ' SER . . . . . . . . . . . . . 45.9 m . . . . . 0 C--N 1.322 -0.595 0 CA-C-O 120.917 0.389 . . . . 1.18 110.633 178.196 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 520' ' ' ARG . . . . . 0.545 ' NH2' ' HB2' ' A' ' 563' ' ' MET . 20.0 mtm105 . . . . . 0 N--CA 1.451 -0.377 0 CA-C-O 121.028 0.442 . . . . 2.22 110.851 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 521' ' ' VAL . . . . . 0.772 HG13 HD21 ' A' ' 599' ' ' LEU . 99.7 t -116.39 122.75 70.44 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 CA-C-N 115.789 -0.641 . . . . 0.32 110.738 172.043 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 522' ' ' VAL . . . . . 0.56 ' HB ' ' O ' ' A' ' 561' ' ' LEU . 28.8 t -118.93 121.09 65.98 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.749 0 N-CA-C 107.216 -1.402 . . . . 0.22 107.216 172.639 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 523' ' ' HIS . . . . . . . . . . . . . 41.1 t-80 -106.37 132.72 52.07 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-O 121.178 0.513 . . . . 0.44 110.572 -171.902 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 524' ' ' ILE . . . . . 0.466 HG23 HG12 ' A' ' 590' ' ' ILE . 37.3 mt -111.19 139.33 35.65 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.915 0 N-CA-C 108.63 -0.878 . . . . 0.19 108.63 178.079 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 525' ' ' CYS . . . . . 0.51 ' SG ' ' HG2' ' A' ' 558' ' ' GLN . 46.8 t -134.41 162.03 33.36 Favored 'General case' 0 C--N 1.313 -1.007 0 C-N-CA 120.907 -0.317 . . . . 1.17 110.771 -176.475 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 526' ' ' ASN . . . . . 0.461 ' HB2' ' O ' ' A' ' 525' ' ' CYS . 88.1 m-20 85.91 28.19 0.05 OUTLIER 'General case' 0 N--CA 1.467 0.405 0 O-C-N 124.587 1.179 . . . . 0.26 110.586 172.587 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 527' ' ' LEU . . . . . . . . . . . . . 81.3 mt -89.43 123.88 65.77 Favored Pre-proline 0 C--N 1.323 -0.586 0 N-CA-C 108.621 -0.881 . . . . 0.25 108.621 177.201 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 528' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -73.19 134.14 20.62 Favored 'Trans proline' 0 N--CA 1.454 -0.8 0 C-N-CA 121.321 1.348 . . . . 0.38 111.934 -176.917 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 529' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -64.25 131.01 46.11 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 109.441 -0.577 . . . . 1.6 109.441 175.131 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 530' ' ' GLY . . . . . . . . . . . . . . . 92.87 3.62 65.84 Favored Glycine 0 N--CA 1.445 -0.747 0 N-CA-C 110.473 -1.051 . . . . 0.48 110.473 -171.873 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 531' ' ' SER . . . . . . . . . . . . . 49.3 m -148.9 7.33 0.72 Allowed 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.188 -0.506 . . . . 1.08 110.305 -177.112 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 532' ' ' CYS . . . . . 0.448 ' HB2' ' HG3' ' A' ' 554' ' ' LYS . 63.2 m -90.77 82.93 5.69 Favored 'General case' 0 CA--C 1.512 -0.498 0 N-CA-C 108.896 -0.779 . . . . 0.25 108.896 178.492 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 533' ' ' THR . . . . . 0.432 ' O ' HG23 ' A' ' 537' ' ' VAL . 27.9 p -96.75 151.81 19.28 Favored 'General case' 0 N--CA 1.442 -0.847 0 N-CA-C 108.7 -0.852 . . . . 0.35 108.7 -178.479 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 534' ' ' GLU . . . . . 0.504 ' HA ' HD11 ' A' ' 552' ' ' LEU . 45.7 mt-10 -65.97 -34.41 78.05 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-O 121.607 0.718 . . . . 1.64 109.181 177.437 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 535' ' ' ASN . . . . . . . . . . . . . 7.0 t-20 -65.05 -48.71 72.86 Favored 'General case' 0 N--CA 1.445 -0.702 0 CA-C-N 114.531 -1.213 . . . . 1.82 111.347 -175.728 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 536' ' ' ASP . . . . . . . . . . . . . 28.6 m-20 -69.53 -43.98 71.9 Favored 'General case' 0 N--CA 1.476 0.834 0 CA-C-O 121.399 0.619 . . . . 0.61 111.341 -173.574 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 537' ' ' VAL . . . . . 0.432 HG23 ' O ' ' A' ' 533' ' ' THR . 49.8 t -59.69 -46.93 92.88 Favored 'Isoleucine or valine' 0 C--O 1.24 0.604 0 CA-C-N 115.088 -0.96 . . . . 0.15 110.043 -179.26 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 538' ' ' ILE . . . . . 0.527 HD11 ' CG ' ' A' ' 550' ' ' TYR . 51.6 mt -68.11 -33.0 58.44 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.8 0 CA-C-N 115.274 -0.875 . . . . 0.23 111.301 175.384 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 539' ' ' ASN . . . . . 0.638 ' HA ' HD11 ' A' ' 615' ' ' ILE . 96.3 m-20 -57.81 -26.64 62.24 Favored 'General case' 0 N--CA 1.466 0.365 0 C-N-CA 121.023 -0.271 . . . . 0.25 110.508 176.223 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 540' ' ' LEU . . . . . 0.502 HD11 HD12 ' A' ' 588' ' ' LEU . 84.5 mt -75.97 -42.79 47.31 Favored 'General case' 0 C--N 1.323 -0.585 0 C-N-CA 120.453 -0.499 . . . . 0.27 110.013 173.568 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 541' ' ' GLY . . . . . . . . . . . . . . . -65.17 -50.8 55.12 Favored Glycine 0 CA--C 1.526 0.749 0 N-CA-C 115.834 1.094 . . . . 0.19 115.834 -178.053 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 542' ' ' LEU . . . . . 0.595 ' HB2' ' CD1' ' A' ' 615' ' ' ILE . 59.2 mt -63.22 -40.91 65.2 Favored Pre-proline 0 C--N 1.32 -0.687 0 N-CA-C 115.398 1.629 . . . . 0.2 115.398 -168.137 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 543' ' ' PRO . . . . . 0.549 ' HG3' HG21 ' A' ' 615' ' ' ILE . 40.7 Cg_exo -63.4 -26.15 70.88 Favored 'Trans proline' 0 CA--C 1.531 0.334 0 C-N-CA 121.518 1.479 . . . . 0.23 113.33 -178.879 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 544' ' ' PHE . . . . . 0.481 ' HB2' ' HE2' ' A' ' 572' ' ' MET . 87.5 m-85 -101.28 -15.83 17.15 Favored 'General case' 0 C--N 1.331 -0.201 0 C-N-CA 120.667 -0.413 . . . . 0.33 111.643 178.968 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 545' ' ' GLY . . . . . 0.551 ' O ' ' HA ' ' A' ' 542' ' ' LEU . . . -170.24 179.94 42.13 Favored Glycine 0 C--O 1.224 -0.494 0 C-N-CA 120.342 -0.933 . . . . 0.44 112.357 -176.242 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 546' ' ' LYS . . . . . 0.436 ' HB3' ' HB2' ' A' ' 564' ' ' ALA . 24.0 ttmm -94.82 122.43 37.44 Favored 'General case' 0 C--N 1.318 -0.783 0 N-CA-C 109.525 -0.546 . . . . 2.07 109.525 -178.034 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 547' ' ' VAL . . . . . 0.602 ' HB ' HG11 ' A' ' 608' ' ' VAL . 81.1 t -88.75 114.94 27.83 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-O 121.001 0.429 . . . . 0.2 110.757 177.62 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 548' ' ' THR . . . . . . . . . . . . . 23.8 p -101.34 -35.53 9.2 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.095 -0.502 . . . . 0.31 112.046 176.952 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 549' ' ' ASN . . . . . 0.438 ' HB2' ' HB3' ' A' ' 562' ' ' GLU . 6.4 m-20 -140.37 152.01 45.43 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.016 0.436 . . . . 1.26 109.956 -178.645 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 550' ' ' TYR . . . . . 0.527 ' CG ' HD11 ' A' ' 538' ' ' ILE . 7.3 p90 -161.13 151.11 17.31 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.685 -0.689 . . . . 0.31 109.684 -177.439 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 551' ' ' ILE . . . . . 0.514 ' HB ' ' HB2' ' A' ' 560' ' ' PHE . 64.5 mt -144.0 126.47 11.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 N-CA-C 108.346 -0.983 . . . . 0.22 108.346 -175.49 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 552' ' ' LEU . . . . . 0.504 HD11 ' HA ' ' A' ' 534' ' ' GLU . 21.9 mt -107.13 119.88 40.59 Favored 'General case' 0 C--N 1.313 -0.987 0 C-N-CA 120.243 -0.583 . . . . 0.43 111.094 -177.231 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 553' ' ' MET . . . . . . . . . . . . . 68.0 mtm -109.31 81.19 1.4 Allowed 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.911 0.862 . . . . 1.03 109.511 179.774 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 554' ' ' LYS . . . . . 0.509 ' CD ' ' H ' ' A' ' 554' ' ' LYS . 0.2 OUTLIER -53.56 -27.99 29.3 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 114.174 -1.376 . . . . 1.03 112.692 173.15 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 555' ' ' SER . . . . . . . . . . . . . 61.2 p -69.39 -44.24 71.88 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 120.848 0.356 . . . . 0.51 111.113 -174.617 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 556' ' ' THR . . . . . 0.405 ' O ' ' HG3' ' A' ' 558' ' ' GLN . 40.6 p -99.2 4.56 46.76 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 112.422 0.527 . . . . 0.45 112.422 -177.887 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 557' ' ' ASN . . . . . . . . . . . . . 40.0 m-80 59.69 39.84 20.58 Favored 'General case' 0 N--CA 1.468 0.453 0 CA-C-O 121.769 0.795 . . . . 1.28 110.145 -176.581 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 558' ' ' GLN . . . . . 0.51 ' HG2' ' SG ' ' A' ' 525' ' ' CYS . 26.7 mt-30 -139.82 167.74 21.42 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 114.844 -1.071 . . . . 0.84 109.705 -175.528 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 559' ' ' ALA . . . . . . . . . . . . . . . -158.34 166.66 31.73 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.061 0.457 . . . . 0.16 111.783 -179.56 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 560' ' ' PHE . . . . . 0.514 ' HB2' ' HB ' ' A' ' 551' ' ' ILE . 76.7 m-85 -119.15 147.0 44.67 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.916 -0.584 . . . . 0.35 110.785 177.527 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 561' ' ' LEU . . . . . 0.56 ' O ' ' HB ' ' A' ' 522' ' ' VAL . 51.8 tp -138.49 119.59 14.51 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.72 -0.673 . . . . 0.2 110.547 -178.929 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 562' ' ' GLU . . . . . 0.438 ' HB3' ' HB2' ' A' ' 549' ' ' ASN . 43.5 tt0 -99.99 122.67 43.25 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.359 0.599 . . . . 2.09 110.324 176.271 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 563' ' ' MET . . . . . 0.545 ' HB2' ' NH2' ' A' ' 520' ' ' ARG . 18.9 mtt -110.74 147.59 34.11 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.184 -0.916 . . . . 0.39 108.827 -178.836 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 564' ' ' ALA . . . . . 0.436 ' HB2' ' HB3' ' A' ' 546' ' ' LYS . . . -58.66 -44.85 90.27 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 118.049 0.386 . . . . 0.5 111.626 -168.772 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 565' ' ' TYR . . . . . 0.437 ' HB2' ' HG2' ' A' ' 567' ' ' GLU . 85.5 m-85 -121.97 155.01 36.43 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.314 0.578 . . . . 1.15 111.12 -178.421 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 566' ' ' THR . . . . . 0.507 ' HA ' ' NH1' ' A' ' 520' ' ' ARG . 9.7 t -65.22 -27.37 68.62 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.175 -0.921 . . . . 0.57 110.574 -179.403 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 567' ' ' GLU . . . . . 0.437 ' HG2' ' HB2' ' A' ' 565' ' ' TYR . 10.3 pt-20 -57.32 -31.3 65.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.477 -0.783 . . . . 0.89 111.23 176.877 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 568' ' ' ALA . . . . . 0.651 ' O ' ' HG3' ' A' ' 572' ' ' MET . . . -72.55 -44.0 62.71 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.308 -0.405 . . . . 0.26 110.435 -177.965 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 569' ' ' ALA . . . . . 0.485 ' HA ' ' SD ' ' A' ' 563' ' ' MET . . . -63.14 -44.27 96.0 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.161 -0.472 . . . . 0.24 111.451 -176.407 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 570' ' ' GLN . . . . . . . . . . . . . 12.9 pt20 -64.94 -40.33 94.86 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.455 -0.338 . . . . 1.24 110.406 -178.547 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 571' ' ' ALA . . . . . . . . . . . . . . . -65.46 -43.4 90.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.113 -0.494 . . . . 0.31 111.116 -178.412 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 572' ' ' MET . . . . . 0.651 ' HG3' ' O ' ' A' ' 568' ' ' ALA . 26.9 mtt -66.32 -47.69 72.72 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.362 -0.381 . . . . 0.47 110.737 -179.37 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 573' ' ' VAL . . . . . 0.641 ' O ' ' HG2' ' A' ' 577' ' ' GLN . 86.7 t -58.43 -46.84 89.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 C-N-CA 121.03 -0.268 . . . . 0.34 110.413 -178.745 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 574' ' ' GLN . . . . . . . . . . . . . 98.4 mt-30 -61.42 -37.13 82.39 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.779 0.323 . . . . 2.09 110.947 178.667 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 575' ' ' TYR . . . . . . . . . . . . . 84.2 t80 -67.08 -51.78 50.15 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.292 -0.413 . . . . 0.48 110.036 179.882 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 576' ' ' TYR . . . . . 0.594 ' HA ' ' O ' ' A' ' 579' ' ' LYS . 65.6 m-85 -72.38 -13.52 61.49 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 112.709 0.633 . . . . 0.36 112.709 -178.08 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 577' ' ' GLN . . . . . 0.641 ' HG2' ' O ' ' A' ' 573' ' ' VAL . 26.5 mm-40 -67.74 -42.97 81.01 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.093 0.473 . . . . 1.89 109.826 170.468 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 578' ' ' GLU . . . . . . . . . . . . . 12.0 mm-40 -85.85 -38.45 18.1 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.843 -0.617 . . . . 2.14 111.3 178.125 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 579' ' ' LYS . . . . . 0.594 ' O ' ' HA ' ' A' ' 576' ' ' TYR . 24.7 mtpp -135.47 93.97 15.83 Favored Pre-proline 0 C--N 1.327 -0.412 0 CA-C-N 116.746 -0.206 . . . . 2.46 110.576 176.236 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 580' ' ' PRO . . . . . . . . . . . . . 43.4 Cg_endo -67.76 161.72 42.59 Favored 'Trans proline' 0 N--CA 1.461 -0.415 0 C-N-CA 122.23 1.953 . . . . 0.37 111.072 174.928 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 581' ' ' ALA . . . . . 0.458 ' O ' ' HG ' ' A' ' 588' ' ' LEU . . . -90.03 136.18 33.2 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 109.828 -0.434 . . . . 0.27 109.828 -175.859 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 582' ' ' ILE . . . . . . . . . . . . . 30.7 mt -101.26 118.57 48.2 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.77 0 CA-C-N 116.322 -0.399 . . . . 0.51 111.717 -172.784 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 583' ' ' ILE . . . . . 0.405 ' CG1' HD11 ' A' ' 588' ' ' LEU . 29.4 mm -126.75 114.46 37.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 N-CA-C 109.31 -0.626 . . . . 0.51 109.31 174.332 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 584' ' ' ASN . . . . . . . . . . . . . 79.0 m-20 59.66 32.45 21.5 Favored 'General case' 0 N--CA 1.467 0.413 0 CA-C-O 121.217 0.532 . . . . 1.1 110.065 -175.9 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 585' ' ' GLY . . . . . . . . . . . . . . . 76.98 7.77 86.68 Favored Glycine 0 N--CA 1.448 -0.545 0 CA-C-N 115.759 -0.655 . . . . 0.44 112.812 -179.539 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 586' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -105.45 127.41 52.98 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.882 0.372 . . . . 1.79 110.465 179.379 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 587' ' ' LYS . . . . . . . . . . . . . 44.2 mmtm -75.53 127.16 32.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.889 -0.596 . . . . 1.67 111.6 -178.249 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 588' ' ' LEU . . . . . 0.502 HD12 HD11 ' A' ' 540' ' ' LEU . 43.7 mt -89.17 138.19 31.65 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.029 -0.532 . . . . 0.24 110.586 178.691 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 589' ' ' LEU . . . . . . . . . . . . . 51.1 tp -113.9 114.8 26.73 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.281 -0.418 . . . . 0.38 111.076 -179.011 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 590' ' ' ILE . . . . . 0.489 HD12 ' CE2' ' A' ' 576' ' ' TYR . 22.8 mt -102.35 129.98 52.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 N-CA-C 110.198 -0.297 . . . . 0.26 110.198 176.014 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 591' ' ' ARG . . . . . . . . . . . . . 60.0 mtp180 -145.47 163.51 34.46 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.385 -0.371 . . . . 2.62 110.393 -178.077 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 592' ' ' MET . . . . . . . . . . . . . 61.1 mtt -82.72 143.94 30.56 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 109.429 -0.582 . . . . 0.34 109.429 174.196 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 593' ' ' SER . . . . . . . . . . . . . 43.1 t -85.69 130.97 34.43 Favored 'General case' 0 C--O 1.237 0.441 0 CA-C-O 121.541 0.686 . . . . 1.37 111.815 -175.428 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 594' ' ' THR . . . . . . . . . . . . . 19.2 p -89.68 -11.73 41.59 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 114.384 -1.28 . . . . 0.38 110.908 177.458 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 595' ' ' ARG . . . . . . . . . . . . . 62.4 mtp180 -101.02 -29.9 11.92 Favored 'General case' 0 C--N 1.331 -0.201 0 N-CA-C 112.911 0.708 . . . . 2.75 112.911 -171.025 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 596' ' ' TYR . . . . . . . . . . . . . 62.5 m-85 -127.7 152.3 47.9 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 112.69 0.626 . . . . 0.65 112.69 -174.908 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 597' ' ' LYS . . . . . . . . . . . . . 97.2 mttt -108.54 -19.99 13.25 Favored 'General case' 0 C--O 1.222 -0.39 0 CA-C-N 115.144 -0.934 . . . . 2.18 112.173 -179.356 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 598' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -142.05 151.36 42.33 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.295 0.569 . . . . 0.95 111.592 -175.324 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 599' ' ' LEU . . . . . 0.772 HD21 HG13 ' A' ' 521' ' ' VAL . 93.0 mt -117.1 120.84 39.57 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 114.992 -1.003 . . . . 0.45 110.41 177.692 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 600' ' ' GLN . . . . . . . . . . . . . 20.4 pt20 -113.61 137.97 50.84 Favored 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 109.906 -0.405 . . . . 1.52 109.906 179.002 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 601' ' ' LEU . . . . . . . . . . . . . 82.2 mt -87.13 91.86 8.86 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 121.27 0.557 . . . . 0.46 111.238 -177.491 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 602' ' ' LYS . . . . . . . . . . . . . 56.9 mtpt -77.67 -13.6 59.86 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.477 -0.783 . . . . 1.73 110.588 177.248 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 603' ' ' LYS . . . . . . . . . . . . . 34.5 mmtp . . . . . 0 C--N 1.324 -0.529 0 CA-C-N 115.743 -0.662 . . . . 1.69 109.621 177.83 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 607' ' ' ASN . . . . . . . . . . . . . 26.3 t-20 . . . . . 0 C--O 1.233 0.197 0 CA-C-O 120.952 0.406 . . . . 1.33 110.387 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 608' ' ' VAL . . . . . 0.602 HG11 ' HB ' ' A' ' 547' ' ' VAL . 43.7 t -76.74 -26.31 16.3 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 115.833 -0.621 . . . . 0.3 112.365 -171.687 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 609' ' ' ALA . . . . . . . . . . . . . . . -60.82 -36.48 79.19 Favored 'General case' 0 C--O 1.239 0.512 0 CA-C-O 121.631 0.729 . . . . 0.44 110.635 177.432 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 610' ' ' ALA . . . . . . . . . . . . . . . -65.51 -28.59 69.3 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.436 -0.802 . . . . 0.4 110.367 177.229 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 611' ' ' ILE . . . . . 0.429 ' CD1' HD12 ' A' ' 538' ' ' ILE . 72.3 mt -71.21 -29.83 37.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 115.849 -0.614 . . . . 0.25 109.716 178.273 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 612' ' ' ILE . . . . . 0.449 ' CG1' HD13 ' A' ' 542' ' ' LEU . 61.8 mt -60.72 -44.65 97.69 Favored 'Isoleucine or valine' 0 C--O 1.234 0.279 0 N-CA-C 109.529 -0.545 . . . . 0.31 109.529 173.819 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 613' ' ' GLN . . . . . 0.432 ' HA ' ' OE1' ' A' ' 613' ' ' GLN . 14.3 mm-40 -66.04 -29.72 70.13 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.517 -0.765 . . . . 2.31 110.407 178.241 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 614' ' ' ASP . . . . . 0.4 ' HB3' ' O ' ' A' ' 611' ' ' ILE . 21.1 t70 -65.94 -45.32 82.27 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.156 -0.929 . . . . 1.95 110.502 176.756 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 615' ' ' ILE . . . . . 0.638 HD11 ' HA ' ' A' ' 539' ' ' ASN . 85.3 mt -65.29 -41.76 92.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 120.976 0.417 . . . . 0.35 110.863 179.172 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 616' ' ' HIS . . . . . . . . . . . . . 42.6 m80 -67.38 -26.83 66.65 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.9 -0.591 . . . . 1.26 110.917 178.752 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 617' ' ' SER . . . . . . . . . . . . . 12.7 t . . . . . 0 N--CA 1.454 -0.259 0 N-CA-C 109.167 -0.679 . . . . 1.18 109.167 172.227 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 520' ' ' ARG . . . . . . . . . . . . . 36.6 mtp85 . . . . . 0 N--CA 1.448 -0.531 0 N-CA-C 109.705 -0.48 . . . . 2.22 109.705 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 521' ' ' VAL . . . . . 0.64 HG13 HD21 ' A' ' 599' ' ' LEU . 94.2 t -117.84 121.19 66.81 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.736 0 CA-C-N 116.104 -0.498 . . . . 0.32 111.26 175.043 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 522' ' ' VAL . . . . . 0.406 HG11 ' CE ' ' A' ' 563' ' ' MET . 24.2 t -121.11 122.81 68.54 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.782 0 N-CA-C 107.73 -1.211 . . . . 0.22 107.73 172.703 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 523' ' ' HIS . . . . . 0.548 ' HB2' ' OG ' ' A' ' 593' ' ' SER . 78.9 t60 -104.99 133.72 49.3 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.174 0.512 . . . . 0.44 110.854 -172.569 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 524' ' ' ILE . . . . . 0.513 HD11 HD22 ' A' ' 561' ' ' LEU . 29.2 mt -114.02 129.89 69.16 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.886 0 N-CA-C 108.412 -0.959 . . . . 0.19 108.412 177.265 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 525' ' ' CYS . . . . . 0.512 ' SG ' ' HB3' ' A' ' 589' ' ' LEU . 2.1 p -134.76 165.84 24.34 Favored 'General case' 0 C--N 1.315 -0.927 0 C-N-CA 120.513 -0.475 . . . . 1.17 111.57 -174.521 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 526' ' ' ASN . . . . . 0.466 ' HB2' ' O ' ' A' ' 525' ' ' CYS . 87.7 m-20 86.68 28.69 0.04 OUTLIER 'General case' 0 N--CA 1.468 0.443 0 O-C-N 124.998 1.436 . . . . 0.26 110.032 178.027 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 527' ' ' LEU . . . . . 0.573 ' HB3' ' SG ' ' A' ' 532' ' ' CYS . 82.1 mt -92.96 123.34 61.52 Favored Pre-proline 0 C--N 1.323 -0.544 0 CA-C-N 115.26 -0.882 . . . . 0.25 108.692 177.823 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 528' ' ' PRO . . . . . 0.431 ' HD3' ' HA ' ' A' ' 527' ' ' LEU . 4.3 Cg_exo -74.36 134.21 18.68 Favored 'Trans proline' 0 N--CA 1.461 -0.399 0 C-N-CA 121.54 1.494 . . . . 0.38 111.917 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 529' ' ' GLU . . . . . . . . . . . . . 28.0 tt0 -65.28 130.78 44.58 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 109.85 -0.426 . . . . 1.6 109.85 177.233 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 530' ' ' GLY . . . . . . . . . . . . . . . 94.55 3.24 62.91 Favored Glycine 0 N--CA 1.445 -0.757 0 N-CA-C 110.505 -1.038 . . . . 0.48 110.505 -172.434 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 531' ' ' SER . . . . . . . . . . . . . 50.7 m -145.97 7.61 1.07 Allowed 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.066 0.46 . . . . 1.08 110.385 -178.89 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 532' ' ' CYS . . . . . 0.573 ' SG ' ' HB3' ' A' ' 527' ' ' LEU . 57.5 m -94.18 90.7 6.45 Favored 'General case' 0 CA--C 1.515 -0.399 0 N-CA-C 108.953 -0.758 . . . . 0.25 108.953 179.744 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 533' ' ' THR . . . . . 0.473 ' O ' HG23 ' A' ' 537' ' ' VAL . 25.4 p -102.0 151.25 22.35 Favored 'General case' 0 N--CA 1.442 -0.833 0 C-N-CA 119.515 -0.874 . . . . 0.35 108.701 -178.798 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 534' ' ' GLU . . . . . 0.824 ' HA ' HD11 ' A' ' 552' ' ' LEU . 22.9 mp0 -64.95 -33.64 76.52 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 109.004 -0.739 . . . . 1.64 109.004 178.941 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 535' ' ' ASN . . . . . 0.487 HD21 ' CG ' ' A' ' 614' ' ' ASP . 26.1 t-20 -61.05 -49.05 78.93 Favored 'General case' 0 N--CA 1.443 -0.794 0 CA-C-N 114.506 -1.224 . . . . 1.82 111.535 -178.879 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 536' ' ' ASP . . . . . . . . . . . . . 57.4 m-20 -69.63 -46.22 66.71 Favored 'General case' 0 N--CA 1.473 0.714 0 CA-C-O 121.523 0.678 . . . . 0.61 111.154 -173.916 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 537' ' ' VAL . . . . . 0.473 HG23 ' O ' ' A' ' 533' ' ' THR . 28.0 t -61.32 -47.53 93.05 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 CA-C-N 114.719 -1.128 . . . . 0.15 110.115 -177.356 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 538' ' ' ILE . . . . . 0.581 HD11 ' CD1' ' A' ' 550' ' ' TYR . 62.6 mt -68.41 -33.31 59.53 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-N 115.695 -0.684 . . . . 0.23 111.28 176.525 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 539' ' ' ASN . . . . . 0.424 ' HA ' HD11 ' A' ' 615' ' ' ILE . 98.1 m-20 -58.25 -26.41 62.89 Favored 'General case' 0 N--CA 1.468 0.446 0 C-N-CA 120.797 -0.361 . . . . 0.25 110.364 175.874 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 540' ' ' LEU . . . . . 0.457 HD11 HD12 ' A' ' 588' ' ' LEU . 87.4 mt -75.51 -41.38 55.34 Favored 'General case' 0 C--N 1.323 -0.556 0 C-N-CA 120.475 -0.49 . . . . 0.27 110.241 174.218 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 541' ' ' GLY . . . . . 0.558 ' HA2' ' SD ' ' A' ' 572' ' ' MET . . . -67.43 -51.69 35.64 Favored Glycine 0 CA--C 1.527 0.824 0 N-CA-C 116.278 1.271 . . . . 0.19 116.278 -178.939 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 542' ' ' LEU . . . . . 0.516 HD13 ' CG1' ' A' ' 612' ' ' ILE . 49.7 mt -61.95 -39.63 60.82 Favored Pre-proline 0 C--N 1.319 -0.749 0 N-CA-C 115.628 1.714 . . . . 0.2 115.628 -168.15 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 543' ' ' PRO . . . . . 0.5 ' HG3' HG21 ' A' ' 615' ' ' ILE . 52.5 Cg_exo -60.5 -25.39 80.49 Favored 'Trans proline' 0 C--N 1.345 0.359 0 C-N-CA 121.476 1.451 . . . . 0.23 112.995 -179.197 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 544' ' ' PHE . . . . . . . . . . . . . 92.5 m-85 -103.44 -4.06 24.58 Favored 'General case' 0 C--O 1.233 0.199 0 N-CA-C 111.877 0.325 . . . . 0.33 111.877 -179.178 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 545' ' ' GLY . . . . . 0.435 ' O ' ' HA ' ' A' ' 542' ' ' LEU . . . 172.72 -171.14 44.17 Favored Glycine 0 N--CA 1.448 -0.506 0 C-N-CA 119.726 -1.226 . . . . 0.44 113.192 -179.524 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 546' ' ' LYS . . . . . . . . . . . . . 63.3 tttp -95.26 121.96 37.45 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 110.211 -0.292 . . . . 2.07 110.211 -177.706 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 547' ' ' VAL . . . . . 0.575 ' HB ' HG11 ' A' ' 608' ' ' VAL . 77.2 t -87.83 113.85 25.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-N 116.411 -0.359 . . . . 0.2 110.209 174.057 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 548' ' ' THR . . . . . . . . . . . . . 20.8 p -96.9 -35.09 11.01 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.066 -0.516 . . . . 0.31 111.643 177.171 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 549' ' ' ASN . . . . . 0.529 ' OD1' HD11 ' A' ' 601' ' ' LEU . 89.8 m-20 -142.03 160.68 39.72 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.43 0.633 . . . . 1.26 110.623 178.523 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 550' ' ' TYR . . . . . 0.581 ' CD1' HD11 ' A' ' 538' ' ' ILE . 1.6 p90 -160.86 150.75 17.46 Favored 'General case' 0 C--N 1.315 -0.904 0 CA-C-N 114.988 -1.005 . . . . 0.31 109.016 -179.582 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 551' ' ' ILE . . . . . 0.473 ' HB ' ' HB2' ' A' ' 560' ' ' PHE . 77.5 mt -140.01 121.43 15.24 Favored 'Isoleucine or valine' 0 CA--C 1.506 -0.725 0 N-CA-C 108.144 -1.058 . . . . 0.22 108.144 178.664 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 552' ' ' LEU . . . . . 0.824 HD11 ' HA ' ' A' ' 534' ' ' GLU . 18.6 mt -111.76 111.7 22.86 Favored 'General case' 0 C--N 1.311 -1.079 0 C-N-CA 119.497 -0.881 . . . . 0.43 109.544 178.796 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 553' ' ' MET . . . . . . . . . . . . . 2.9 mpp? -100.67 84.42 2.73 Favored 'General case' 0 C--N 1.317 -0.838 0 N-CA-C 108.028 -1.101 . . . . 1.03 108.028 -176.531 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 554' ' ' LYS . . . . . 0.554 ' HD2' ' HB2' ' A' ' 532' ' ' CYS . 19.6 mmtp -52.43 -29.57 25.11 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 114.343 -1.299 . . . . 1.03 111.995 -179.596 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 555' ' ' SER . . . . . . . . . . . . . 63.5 p -69.85 -39.14 76.58 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 120.932 0.396 . . . . 0.51 111.207 -175.64 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 556' ' ' THR . . . . . . . . . . . . . 62.9 p -97.21 3.04 51.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.289 -0.414 . . . . 0.45 111.904 -177.306 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 557' ' ' ASN . . . . . . . . . . . . . 2.6 m-20 56.4 38.18 29.48 Favored 'General case' 0 N--CA 1.469 0.508 0 CA-C-O 121.505 0.669 . . . . 1.28 110.727 -178.63 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 558' ' ' GLN . . . . . . . . . . . . . 50.5 mt-30 -144.57 166.79 24.17 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.308 -0.86 . . . . 0.84 109.719 -176.672 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 559' ' ' ALA . . . . . . . . . . . . . . . -156.38 164.36 38.38 Favored 'General case' 0 N--CA 1.449 -0.503 0 CA-C-O 121.487 0.66 . . . . 0.16 112.475 -176.155 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 560' ' ' PHE . . . . . 0.473 ' HB2' ' HB ' ' A' ' 551' ' ' ILE . 91.4 m-85 -120.85 151.43 39.65 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.146 -0.933 . . . . 0.35 110.899 176.351 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 561' ' ' LEU . . . . . 0.513 HD22 HD11 ' A' ' 524' ' ' ILE . 47.8 tp -137.39 120.77 17.0 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.788 -0.642 . . . . 0.2 110.029 -179.512 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 562' ' ' GLU . . . . . 0.474 ' HB2' HD12 ' A' ' 599' ' ' LEU . 31.5 tt0 -98.41 132.4 43.9 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.349 0.595 . . . . 2.09 110.425 179.059 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 563' ' ' MET . . . . . 0.533 ' SD ' ' HA ' ' A' ' 569' ' ' ALA . 40.9 mtt -122.28 135.13 54.69 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.119 -0.946 . . . . 0.39 109.769 -174.377 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 564' ' ' ALA . . . . . . . . . . . . . . . -74.44 -16.51 60.86 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 112.694 0.627 . . . . 0.5 112.694 -170.176 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 565' ' ' TYR . . . . . 0.409 ' CB ' ' HG2' ' A' ' 567' ' ' GLU . 98.5 m-85 -138.16 148.09 44.54 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 120.799 0.333 . . . . 1.15 110.303 -176.436 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 566' ' ' THR . . . . . . . . . . . . . 14.0 t -63.89 -27.38 69.12 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.818 -0.628 . . . . 0.57 110.787 -179.341 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 567' ' ' GLU . . . . . 0.409 ' HG2' ' CB ' ' A' ' 565' ' ' TYR . 9.5 pt-20 -56.55 -34.12 66.76 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.592 -0.731 . . . . 0.89 110.926 176.735 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 568' ' ' ALA . . . . . 0.633 ' O ' ' HG3' ' A' ' 572' ' ' MET . . . -74.23 -45.83 45.57 Favored 'General case' 0 N--CA 1.45 -0.444 0 CA-C-N 115.963 -0.562 . . . . 0.26 111.49 -172.672 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 569' ' ' ALA . . . . . 0.533 ' HA ' ' SD ' ' A' ' 563' ' ' MET . . . -65.28 -44.86 86.67 Favored 'General case' 0 N--CA 1.453 -0.282 0 CA-C-N 116.574 -0.284 . . . . 0.24 111.216 -176.256 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 570' ' ' GLN . . . . . . . . . . . . . 13.4 pt20 -68.14 -36.29 79.45 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.558 -0.292 . . . . 1.24 111.123 -179.448 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 571' ' ' ALA . . . . . . . . . . . . . . . -65.56 -46.16 80.56 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-O 120.763 0.316 . . . . 0.31 111.135 -179.338 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 572' ' ' MET . . . . . 0.633 ' HG3' ' O ' ' A' ' 568' ' ' ALA . 23.5 mtt -68.9 -47.65 65.3 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.241 -0.436 . . . . 0.47 111.222 -177.028 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 573' ' ' VAL . . . . . 0.414 HG23 ' O ' ' A' ' 569' ' ' ALA . 81.3 t -58.49 -47.55 87.93 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.369 0 C-N-CA 120.83 -0.348 . . . . 0.34 110.556 -177.426 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 574' ' ' GLN . . . . . . . . . . . . . 49.6 mt-30 -61.32 -38.04 85.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.823 0.344 . . . . 2.09 110.855 179.865 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 575' ' ' TYR . . . . . . . . . . . . . 91.8 t80 -68.93 -53.29 21.76 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.082 -0.508 . . . . 0.48 110.879 -179.085 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 576' ' ' TYR . . . . . 0.469 ' CD2' HD12 ' A' ' 590' ' ' ILE . 84.8 m-85 -75.94 -14.39 60.25 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 112.901 0.704 . . . . 0.36 112.901 -174.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 577' ' ' GLN . . . . . . . . . . . . . 11.5 mm100 -68.78 -43.71 75.16 Favored 'General case' 0 C--N 1.328 -0.339 0 C-N-CA 120.509 -0.477 . . . . 1.89 109.962 172.397 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 578' ' ' GLU . . . . . . . . . . . . . 41.1 mm-40 -88.59 -37.57 15.56 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.037 -0.529 . . . . 2.14 111.747 179.557 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 579' ' ' LYS . . . . . . . . . . . . . 63.4 mttm -131.35 82.29 62.79 Favored Pre-proline 0 C--N 1.324 -0.542 0 N-CA-C 109.338 -0.615 . . . . 2.46 109.338 -177.846 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 580' ' ' PRO . . . . . . . . . . . . . 9.2 Cg_exo -67.86 161.34 44.43 Favored 'Trans proline' 0 N--CA 1.459 -0.553 0 C-N-CA 122.699 2.266 . . . . 0.37 111.831 -177.126 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 581' ' ' ALA . . . . . 0.401 ' O ' ' HG ' ' A' ' 588' ' ' LEU . . . -90.71 136.85 32.8 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.363 -0.38 . . . . 0.27 110.127 -176.614 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 582' ' ' ILE . . . . . . . . . . . . . 63.7 mt -100.28 121.21 50.74 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.741 0 CA-C-N 116.212 -0.449 . . . . 0.51 111.402 -175.574 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 583' ' ' ILE . . . . . 0.477 HG13 HD11 ' A' ' 588' ' ' LEU . 5.5 mt -126.79 112.01 27.79 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 CA-C-N 115.924 -0.58 . . . . 0.51 109.726 170.31 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 584' ' ' ASN . . . . . . . . . . . . . 96.4 m-20 57.82 34.46 24.41 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-O 121.421 0.629 . . . . 1.1 110.66 -178.944 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 585' ' ' GLY . . . . . . . . . . . . . . . 84.98 4.29 87.13 Favored Glycine 0 N--CA 1.447 -0.632 0 CA-C-N 115.353 -0.839 . . . . 0.44 113.575 177.997 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 586' ' ' GLU . . . . . . . . . . . . . 75.1 mm-40 -100.91 126.71 47.56 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 117.163 0.481 . . . . 1.79 111.239 179.717 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 587' ' ' LYS . . . . . . . . . . . . . 72.6 mmtt -73.46 112.49 9.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.443 -0.799 . . . . 1.67 110.365 174.62 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 588' ' ' LEU . . . . . 0.477 HD11 HG13 ' A' ' 583' ' ' ILE . 48.1 mt -78.85 136.18 37.25 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 120.762 0.315 . . . . 0.24 110.383 178.607 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 589' ' ' LEU . . . . . 0.512 ' HB3' ' SG ' ' A' ' 525' ' ' CYS . 40.9 tp -112.74 112.93 24.78 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.971 -0.559 . . . . 0.38 110.691 -177.284 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 590' ' ' ILE . . . . . 0.469 HD12 ' CD2' ' A' ' 576' ' ' TYR . 18.6 mt -103.7 118.48 50.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 N-CA-C 110.127 -0.323 . . . . 0.26 110.127 176.309 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 591' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -146.78 164.94 31.17 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.253 -0.43 . . . . 2.62 109.85 -178.374 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 592' ' ' MET . . . . . . . . . . . . . 62.0 mtt -83.58 142.81 30.57 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 110.107 -0.331 . . . . 0.34 110.107 -178.499 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 593' ' ' SER . . . . . 0.548 ' OG ' ' HB2' ' A' ' 523' ' ' HIS . 55.6 m -86.67 141.27 29.06 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.278 0.561 . . . . 1.37 112.098 -175.909 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 594' ' ' THR . . . . . . . . . . . . . 19.5 p -91.62 -17.04 26.15 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.064 -0.971 . . . . 0.38 112.335 -178.583 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 595' ' ' ARG . . . . . . . . . . . . . 73.4 mtp180 -101.63 -31.55 10.77 Favored 'General case' 0 C--N 1.329 -0.285 0 C-N-CA 120.389 -0.524 . . . . 2.75 112.074 -171.088 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 596' ' ' TYR . . . . . . . . . . . . . 69.0 m-85 -115.19 139.17 50.16 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 121.107 0.48 . . . . 0.65 111.583 -176.111 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 597' ' ' LYS . . . . . 0.529 ' N ' ' HD2' ' A' ' 597' ' ' LYS . 10.1 mptt -109.05 -7.82 15.28 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.163 -0.926 . . . . 2.18 110.434 177.504 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 598' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -143.09 151.78 41.12 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.978 0.418 . . . . 0.95 110.843 -175.703 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 599' ' ' LEU . . . . . 0.64 HD21 HG13 ' A' ' 521' ' ' VAL . 85.9 mt -115.88 119.63 36.59 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.542 -0.754 . . . . 0.45 110.455 -179.537 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 600' ' ' GLN . . . . . . . . . . . . . 30.1 tt0 -104.27 126.38 51.33 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.834 -0.621 . . . . 1.52 110.967 -179.681 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 601' ' ' LEU . . . . . 0.529 HD11 ' OD1' ' A' ' 549' ' ' ASN . 54.9 mt -84.02 90.57 7.46 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.149 -0.478 . . . . 0.46 111.251 -179.674 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 602' ' ' LYS . . . . . . . . . . . . . 54.7 mtpt -75.61 -20.7 58.36 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.194 0.521 . . . . 1.73 110.232 173.204 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 603' ' ' LYS . . . . . . . . . . . . . 33.9 mmtp . . . . . 0 C--N 1.323 -0.583 0 CA-C-N 115.725 -0.67 . . . . 1.69 109.375 177.1 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 607' ' ' ASN . . . . . . . . . . . . . 51.7 t-20 . . . . . 0 C--O 1.232 0.169 0 CA-C-O 121.329 0.585 . . . . 1.33 111.209 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 608' ' ' VAL . . . . . 0.575 HG11 ' HB ' ' A' ' 547' ' ' VAL . 71.5 t -95.71 -27.13 4.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-N 115.158 -0.928 . . . . 0.3 110.695 -178.369 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 609' ' ' ALA . . . . . . . . . . . . . . . -61.93 -34.92 76.96 Favored 'General case' 0 C--O 1.239 0.508 0 CA-C-O 121.516 0.674 . . . . 0.44 110.387 176.314 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 610' ' ' ALA . . . . . . . . . . . . . . . -65.1 -27.07 68.51 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.506 -0.77 . . . . 0.4 110.274 175.885 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 611' ' ' ILE . . . . . 0.442 ' HB ' ' O ' ' A' ' 608' ' ' VAL . 74.9 mt -71.33 -31.4 43.45 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 115.726 -0.67 . . . . 0.25 109.646 177.331 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 612' ' ' ILE . . . . . 0.516 ' CG1' HD13 ' A' ' 542' ' ' LEU . 58.3 mt -61.15 -41.45 89.46 Favored 'Isoleucine or valine' 0 C--O 1.234 0.284 0 CA-C-O 120.913 0.387 . . . . 0.31 110.008 173.613 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 613' ' ' GLN . . . . . . . . . . . . . 71.1 mt-30 -61.9 -37.63 85.32 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 115.72 -0.673 . . . . 2.31 109.505 176.58 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 614' ' ' ASP . . . . . 0.487 ' CG ' HD21 ' A' ' 535' ' ' ASN . 15.8 t70 -64.89 -45.37 86.22 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 114.58 -1.191 . . . . 1.95 111.243 -177.771 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 615' ' ' ILE . . . . . 0.504 ' CD1' ' HB2' ' A' ' 542' ' ' LEU . 87.4 mt -59.16 -48.62 86.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.125 -0.489 . . . . 0.35 110.87 179.16 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 616' ' ' HIS . . . . . . . . . . . . . 50.6 m-70 -70.53 -27.69 64.35 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.807 -0.633 . . . . 1.26 111.205 -179.779 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 617' ' ' SER . . . . . . . . . . . . . 15.9 t . . . . . 0 C--N 1.325 -0.46 0 CA-C-N 116.265 -0.425 . . . . 1.18 110.544 178.261 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 520' ' ' ARG . . . . . . . . . . . . . 16.9 mtm-85 . . . . . 0 N--CA 1.451 -0.38 0 CA-C-O 121.077 0.465 . . . . 2.22 110.929 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 521' ' ' VAL . . . . . 0.757 HG13 HD21 ' A' ' 599' ' ' LEU . 85.9 t -117.74 121.14 66.72 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.828 0 CA-C-N 115.708 -0.678 . . . . 0.32 109.894 165.155 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 522' ' ' VAL . . . . . 0.547 ' HB ' ' O ' ' A' ' 561' ' ' LEU . 27.0 t -120.12 121.97 67.2 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.87 0 N-CA-C 107.725 -1.213 . . . . 0.22 107.725 177.225 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 523' ' ' HIS . . . . . 0.423 ' HE2' ' HB3' ' A' ' 558' ' ' GLN . 37.1 t-80 -105.28 132.23 51.74 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-O 121.268 0.556 . . . . 0.44 111.008 -171.047 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 524' ' ' ILE . . . . . 0.473 HD11 HD22 ' A' ' 561' ' ' LEU . 28.0 mt -113.67 141.3 30.1 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.844 0 N-CA-C 108.594 -0.891 . . . . 0.19 108.594 177.523 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 525' ' ' CYS . . . . . 0.472 ' O ' ' HB2' ' A' ' 526' ' ' ASN . 1.2 p -143.77 166.21 25.52 Favored 'General case' 0 C--N 1.311 -1.075 0 C-N-CA 120.555 -0.458 . . . . 1.17 111.86 -175.586 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 526' ' ' ASN . . . . . 0.472 ' HB2' ' O ' ' A' ' 525' ' ' CYS . 93.9 m-20 85.77 26.47 0.06 Allowed 'General case' 0 N--CA 1.469 0.519 0 O-C-N 124.934 1.396 . . . . 0.26 110.409 178.158 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 527' ' ' LEU . . . . . 0.475 ' HB3' ' SG ' ' A' ' 532' ' ' CYS . 83.6 mt -85.4 124.79 71.2 Favored Pre-proline 0 C--N 1.322 -0.606 0 N-CA-C 108.794 -0.817 . . . . 0.25 108.794 178.9 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 528' ' ' PRO . . . . . 0.418 ' HD3' ' HA ' ' A' ' 527' ' ' LEU . 8.4 Cg_exo -70.5 134.76 27.13 Favored 'Trans proline' 0 N--CA 1.458 -0.606 0 C-N-CA 121.438 1.426 . . . . 0.38 111.861 -178.438 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 529' ' ' GLU . . . . . . . . . . . . . 28.7 tt0 -64.6 130.77 44.89 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.666 -0.697 . . . . 1.6 109.86 178.092 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 530' ' ' GLY . . . . . . . . . . . . . . . 89.95 4.07 72.65 Favored Glycine 0 N--CA 1.447 -0.591 0 C-N-CA 119.999 -1.096 . . . . 0.48 111.22 -173.319 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 531' ' ' SER . . . . . . . . . . . . . 16.6 m -143.9 5.9 1.36 Allowed 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.133 0.492 . . . . 1.08 110.015 -176.324 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 532' ' ' CYS . . . . . 0.475 ' SG ' ' HB3' ' A' ' 527' ' ' LEU . 56.0 m -91.76 88.9 6.86 Favored 'General case' 0 CA--C 1.513 -0.452 0 N-CA-C 109.023 -0.732 . . . . 0.25 109.023 -179.729 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 533' ' ' THR . . . . . 0.496 ' O ' HG23 ' A' ' 537' ' ' VAL . 32.2 p -99.67 152.24 20.3 Favored 'General case' 0 C--N 1.317 -0.839 0 C-N-CA 119.672 -0.811 . . . . 0.35 108.932 -179.458 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 534' ' ' GLU . . . . . 0.504 ' N ' HD11 ' A' ' 552' ' ' LEU . 41.4 mt-10 -65.83 -35.01 79.47 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 108.959 -0.756 . . . . 1.64 108.959 178.074 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 535' ' ' ASN . . . . . . . . . . . . . 6.0 m-20 -63.96 -46.69 83.52 Favored 'General case' 0 C--O 1.213 -0.852 0 CA-C-N 114.76 -1.109 . . . . 1.82 111.582 -178.768 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 536' ' ' ASP . . . . . . . . . . . . . 16.9 m-20 -69.05 -44.92 71.66 Favored 'General case' 0 N--CA 1.472 0.668 0 CA-C-N 118.505 0.593 . . . . 0.61 111.479 -173.645 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 537' ' ' VAL . . . . . 0.496 HG23 ' O ' ' A' ' 533' ' ' THR . 38.5 t -60.07 -47.65 91.06 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.729 0 CA-C-N 115.048 -0.978 . . . . 0.15 109.844 -179.271 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 538' ' ' ILE . . . . . 0.666 HD11 ' CG ' ' A' ' 550' ' ' TYR . 75.5 mt -68.04 -33.78 63.02 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.82 0 CA-C-N 115.015 -0.993 . . . . 0.23 111.331 176.555 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 539' ' ' ASN . . . . . 0.495 ' HA ' HD11 ' A' ' 615' ' ' ILE . 95.2 m-20 -59.01 -26.37 64.49 Favored 'General case' 0 CA--C 1.513 -0.465 0 O-C-N 122.342 -0.224 . . . . 0.25 110.555 176.542 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 540' ' ' LEU . . . . . 0.484 HD11 HD12 ' A' ' 588' ' ' LEU . 85.2 mt -75.0 -41.03 60.29 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 109.865 -0.42 . . . . 0.27 109.865 173.526 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 541' ' ' GLY . . . . . 0.508 ' HA3' HD21 ' A' ' 561' ' ' LEU . . . -67.42 -52.73 29.04 Favored Glycine 0 CA--C 1.524 0.653 0 N-CA-C 115.453 0.941 . . . . 0.19 115.453 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 542' ' ' LEU . . . . . 0.566 ' HA ' ' O ' ' A' ' 545' ' ' GLY . 45.4 mt -56.19 -45.19 99.94 Favored Pre-proline 0 C--N 1.321 -0.669 0 N-CA-C 115.208 1.559 . . . . 0.2 115.208 -167.61 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 543' ' ' PRO . . . . . 0.402 ' HG3' HD13 ' A' ' 615' ' ' ILE . 50.1 Cg_exo -59.9 -26.64 82.91 Favored 'Trans proline' 0 C--N 1.346 0.445 0 C-N-CA 122.036 1.824 . . . . 0.23 113.169 -178.651 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 544' ' ' PHE . . . . . 0.436 ' HB2' ' HE2' ' A' ' 572' ' ' MET . 99.7 m-85 -99.89 -16.81 17.88 Favored 'General case' 0 C--N 1.332 -0.166 0 C-N-CA 120.947 -0.301 . . . . 0.33 111.54 177.753 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 545' ' ' GLY . . . . . 0.566 ' O ' ' HA ' ' A' ' 542' ' ' LEU . . . -178.69 151.87 10.82 Favored Glycine 0 C--O 1.226 -0.394 0 C-N-CA 120.595 -0.812 . . . . 0.44 112.261 179.196 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 546' ' ' LYS . . . . . . . . . . . . . 40.4 ttmt -66.27 128.0 34.41 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.97 0.414 . . . . 2.07 110.688 -178.626 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 547' ' ' VAL . . . . . 0.579 ' HB ' HG11 ' A' ' 608' ' ' VAL . 70.8 t -90.24 116.55 31.79 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-N 115.862 -0.608 . . . . 0.2 110.918 -179.218 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 548' ' ' THR . . . . . . . . . . . . . 26.0 p -95.04 -34.81 12.18 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.049 -0.523 . . . . 0.31 111.876 -178.959 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 549' ' ' ASN . . . . . 0.47 ' HB2' ' HB2' ' A' ' 562' ' ' GLU . 28.6 m-80 -143.35 156.4 44.68 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.214 -0.448 . . . . 1.26 110.366 -177.845 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 550' ' ' TYR . . . . . 0.666 ' CG ' HD11 ' A' ' 538' ' ' ILE . 3.7 p90 -160.55 152.1 19.55 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.117 -0.492 . . . . 0.31 109.909 -177.61 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 551' ' ' ILE . . . . . 0.511 ' HB ' ' HB2' ' A' ' 560' ' ' PHE . 67.0 mt -144.92 127.13 9.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 N-CA-C 108.592 -0.892 . . . . 0.22 108.592 -177.314 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 552' ' ' LEU . . . . . 0.504 HD11 ' N ' ' A' ' 534' ' ' GLU . 21.9 mt -107.23 123.25 48.02 Favored 'General case' 0 C--N 1.318 -0.796 0 C-N-CA 120.159 -0.616 . . . . 0.43 111.197 -178.856 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 553' ' ' MET . . . . . . . . . . . . . 9.9 mtp -110.07 79.24 1.19 Allowed 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 108.876 -0.787 . . . . 1.03 108.876 178.745 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 554' ' ' LYS . . . . . 0.469 ' HD2' ' HB2' ' A' ' 532' ' ' CYS . 22.6 mmtp -54.63 -28.76 49.15 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.24 -0.891 . . . . 1.03 112.747 175.112 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 555' ' ' SER . . . . . . . . . . . . . 63.3 p -69.13 -43.55 74.15 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 120.903 0.382 . . . . 0.51 111.169 -173.184 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 556' ' ' THR . . . . . . . . . . . . . 51.1 p -100.76 4.14 42.75 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 112.227 0.454 . . . . 0.45 112.227 -176.149 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 557' ' ' ASN . . . . . . . . . . . . . 81.4 m-20 59.68 43.19 15.9 Favored 'General case' 0 N--CA 1.468 0.456 0 CA-C-O 121.709 0.766 . . . . 1.28 110.141 -175.425 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 558' ' ' GLN . . . . . 0.423 ' HB3' ' HE2' ' A' ' 523' ' ' HIS . 79.4 mt-30 -137.03 167.74 20.93 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 114.99 -1.005 . . . . 0.84 109.71 -177.038 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 559' ' ' ALA . . . . . . . . . . . . . . . -159.13 165.06 34.63 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.054 0.454 . . . . 0.16 111.379 176.729 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 560' ' ' PHE . . . . . 0.511 ' HB2' ' HB ' ' A' ' 551' ' ' ILE . 86.3 m-85 -119.59 146.72 45.26 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.226 -0.443 . . . . 0.35 110.89 176.067 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 561' ' ' LEU . . . . . 0.547 ' O ' ' HB ' ' A' ' 522' ' ' VAL . 51.3 tp -136.88 119.31 15.81 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.744 -0.662 . . . . 0.2 110.45 -178.091 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 562' ' ' GLU . . . . . 0.47 ' HB2' ' HB2' ' A' ' 549' ' ' ASN . 0.0 OUTLIER -102.96 136.7 42.3 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.249 0.547 . . . . 2.09 110.212 176.925 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 563' ' ' MET . . . . . 0.565 ' SD ' ' HA ' ' A' ' 569' ' ' ALA . 32.2 mtt -120.54 163.61 17.72 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 115.322 -0.854 . . . . 0.39 109.583 -171.876 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 564' ' ' ALA . . . . . . . . . . . . . . . -62.29 -43.02 99.79 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 118.308 0.504 . . . . 0.5 111.708 -174.355 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 565' ' ' TYR . . . . . . . . . . . . . 64.1 m-85 -136.08 158.87 43.37 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.193 -0.458 . . . . 1.15 110.583 -177.982 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 566' ' ' THR . . . . . . . . . . . . . 15.4 t -66.29 -26.9 67.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.976 -0.556 . . . . 0.57 110.816 -179.665 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 567' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -56.67 -31.77 64.75 Favored 'General case' 0 C--O 1.231 0.131 0 CA-C-N 116.101 -0.499 . . . . 0.89 110.739 176.158 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 568' ' ' ALA . . . . . 0.656 ' O ' ' HG3' ' A' ' 572' ' ' MET . . . -73.75 -41.91 61.85 Favored 'General case' 0 N--CA 1.449 -0.486 0 CA-C-N 116.124 -0.489 . . . . 0.26 110.075 -179.662 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 569' ' ' ALA . . . . . 0.565 ' HA ' ' SD ' ' A' ' 563' ' ' MET . . . -64.55 -45.34 87.54 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.033 -0.531 . . . . 0.24 111.263 -175.844 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 570' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -66.14 -35.93 81.79 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.17 -0.468 . . . . 1.24 110.202 -179.258 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 571' ' ' ALA . . . . . . . . . . . . . . . -67.46 -43.95 79.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.782 -0.644 . . . . 0.31 110.979 -179.635 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 572' ' ' MET . . . . . 0.656 ' HG3' ' O ' ' A' ' 568' ' ' ALA . 29.1 mtt -67.72 -42.95 81.11 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.469 -0.332 . . . . 0.47 110.82 -178.41 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 573' ' ' VAL . . . . . 0.579 ' O ' ' HG3' ' A' ' 577' ' ' GLN . 79.0 t -58.39 -47.06 88.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 N-CA-C 110.058 -0.349 . . . . 0.34 110.058 179.662 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 574' ' ' GLN . . . . . . . . . . . . . 86.5 mm-40 -61.55 -37.74 84.89 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.418 -0.356 . . . . 2.09 111.217 179.07 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 575' ' ' TYR . . . . . . . . . . . . . 83.5 t80 -68.98 -53.42 20.77 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.262 -0.426 . . . . 0.48 110.96 -178.275 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 576' ' ' TYR . . . . . 0.534 ' HD2' ' O ' ' A' ' 572' ' ' MET . 97.3 m-85 -73.53 -13.41 61.03 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 112.872 0.693 . . . . 0.36 112.872 -174.829 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 577' ' ' GLN . . . . . 0.579 ' HG3' ' O ' ' A' ' 573' ' ' VAL . 89.0 mt-30 -71.77 -42.87 66.65 Favored 'General case' 0 C--N 1.324 -0.506 0 C-N-CA 120.423 -0.511 . . . . 1.89 109.844 172.657 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 578' ' ' GLU . . . . . . . . . . . . . 10.2 mm-40 -88.53 -38.27 15.06 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.009 -0.541 . . . . 2.14 111.031 -178.848 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 579' ' ' LYS . . . . . . . . . . . . . 56.4 mtpt -129.26 87.55 53.45 Favored Pre-proline 0 C--N 1.327 -0.407 0 CA-C-O 120.797 0.332 . . . . 2.46 110.501 176.625 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 580' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_endo -70.51 161.39 46.2 Favored 'Trans proline' 0 N--CA 1.463 -0.277 0 C-N-CA 122.626 2.217 . . . . 0.37 112.227 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 581' ' ' ALA . . . . . 0.449 ' O ' ' HG ' ' A' ' 588' ' ' LEU . . . -92.68 137.25 32.53 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 109.101 -0.703 . . . . 0.27 109.101 177.507 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 582' ' ' ILE . . . . . . . . . . . . . 51.3 mt -104.3 124.16 58.6 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.735 0 CA-C-O 120.886 0.374 . . . . 0.51 110.981 -176.54 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 583' ' ' ILE . . . . . . . . . . . . . 29.5 mm -125.47 111.65 28.15 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 N-CA-C 108.89 -0.781 . . . . 0.51 108.89 173.372 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 584' ' ' ASN . . . . . . . . . . . . . 11.6 m120 57.6 34.42 24.51 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-O 121.407 0.622 . . . . 1.1 110.542 -178.631 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 585' ' ' GLY . . . . . . . . . . . . . . . 84.75 6.0 85.87 Favored Glycine 0 N--CA 1.445 -0.758 0 CA-C-N 115.48 -0.782 . . . . 0.44 113.412 177.558 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 586' ' ' GLU . . . . . . . . . . . . . 37.5 mm-40 -101.24 124.62 47.23 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 117.132 0.466 . . . . 1.79 110.423 177.761 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 587' ' ' LYS . . . . . . . . . . . . . 66.9 mttm -76.42 119.56 20.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.126 -0.488 . . . . 1.67 110.838 173.747 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 588' ' ' LEU . . . . . 0.484 HD12 HD11 ' A' ' 540' ' ' LEU . 46.9 mt -83.38 138.63 33.42 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.234 -0.439 . . . . 0.24 111.023 -178.654 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 589' ' ' LEU . . . . . . . . . . . . . 65.3 tp -113.08 114.77 27.3 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.859 -0.61 . . . . 0.38 110.834 -179.432 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 590' ' ' ILE . . . . . 0.495 HD12 ' CD2' ' A' ' 576' ' ' TYR . 22.7 mt -102.81 125.21 57.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 N-CA-C 110.142 -0.318 . . . . 0.26 110.142 175.084 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 591' ' ' ARG . . . . . . . . . . . . . 61.5 mtp180 -147.38 165.4 30.32 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 109.835 -0.432 . . . . 2.62 109.835 -176.951 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 592' ' ' MET . . . . . . . . . . . . . 62.6 mtt -82.42 143.84 30.9 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 109.691 -0.485 . . . . 0.34 109.691 177.579 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 593' ' ' SER . . . . . . . . . . . . . 47.6 t -85.55 137.8 32.63 Favored 'General case' 0 C--O 1.236 0.382 0 CA-C-O 121.062 0.458 . . . . 1.37 111.412 -176.149 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 594' ' ' THR . . . . . . . . . . . . . 23.2 p -91.23 -16.4 27.7 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 114.843 -1.072 . . . . 0.38 111.914 -179.227 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 595' ' ' ARG . . . . . . . . . . . . . 64.5 mtp180 -100.68 -28.03 13.06 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 112.731 0.641 . . . . 2.75 112.731 -168.999 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 596' ' ' TYR . . . . . . . . . . . . . 90.7 m-85 -127.43 147.64 50.29 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 121.068 0.461 . . . . 0.65 111.685 -177.297 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 597' ' ' LYS . . . . . 0.483 ' N ' ' HD2' ' A' ' 597' ' ' LYS . 11.7 mptt -107.66 -13.9 14.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.607 -0.724 . . . . 2.18 111.828 178.826 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 598' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -143.24 150.77 39.76 Favored 'General case' 0 C--N 1.326 -0.441 0 C-N-CA 120.65 -0.42 . . . . 0.95 110.968 178.7 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 599' ' ' LEU . . . . . 0.757 HD21 HG13 ' A' ' 521' ' ' VAL . 37.9 mt -102.41 122.75 44.91 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.594 -0.73 . . . . 0.45 111.462 177.101 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 600' ' ' GLN . . . . . . . . . . . . . 24.7 tt0 -103.71 123.57 47.27 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.361 -0.836 . . . . 1.52 110.441 178.941 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 601' ' ' LEU . . . . . . . . . . . . . 54.9 mt -82.98 97.87 8.95 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.942 0.401 . . . . 0.46 111.304 179.849 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 602' ' ' LYS . . . . . . . . . . . . . 52.2 mtmt -81.82 -16.61 50.29 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.15 0.5 . . . . 1.73 110.298 173.833 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 603' ' ' LYS . . . . . . . . . . . . . 34.4 mmtp . . . . . 0 C--N 1.324 -0.541 0 CA-C-N 115.981 -0.554 . . . . 1.69 110.062 -178.452 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 607' ' ' ASN . . . . . . . . . . . . . 49.0 t30 . . . . . 0 N--CA 1.454 -0.252 0 N-CA-C 109.847 -0.427 . . . . 1.33 109.847 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 608' ' ' VAL . . . . . 0.603 HG13 HG21 ' A' ' 538' ' ' ILE . 72.7 t -83.19 -21.04 9.06 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.713 0 CA-C-N 115.801 -0.636 . . . . 0.3 110.635 -175.241 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 609' ' ' ALA . . . . . . . . . . . . . . . -62.09 -33.05 73.7 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.303 0.573 . . . . 0.44 110.364 172.829 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 610' ' ' ALA . . . . . . . . . . . . . . . -66.02 -29.66 70.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.808 -0.633 . . . . 0.4 109.868 176.389 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 611' ' ' ILE . . . . . 0.403 ' O ' ' HB2' ' A' ' 614' ' ' ASP . 74.5 mt -70.6 -30.11 41.11 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 115.607 -0.724 . . . . 0.25 109.466 178.602 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 612' ' ' ILE . . . . . 0.443 ' CG1' HD13 ' A' ' 542' ' ' LEU . 69.8 mt -60.92 -39.49 82.21 Favored 'Isoleucine or valine' 0 C--O 1.235 0.296 0 CA-C-O 121.218 0.532 . . . . 0.31 109.721 171.459 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 613' ' ' GLN . . . . . . . . . . . . . 30.5 mm-40 -63.95 -31.51 72.71 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.719 -0.673 . . . . 2.31 110.303 177.326 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 614' ' ' ASP . . . . . 0.403 ' HB2' ' O ' ' A' ' 611' ' ' ILE . 2.8 m-20 -65.6 -45.47 83.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.793 -0.64 . . . . 1.95 110.254 177.214 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 615' ' ' ILE . . . . . 0.495 HD11 ' HA ' ' A' ' 539' ' ' ASN . 85.6 mt -62.26 -46.14 97.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 115.932 -0.577 . . . . 0.35 110.823 178.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 616' ' ' HIS . . . . . . . . . . . . . 48.7 m170 -63.27 -34.59 78.01 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.736 -0.666 . . . . 1.26 110.912 -179.822 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 617' ' ' SER . . . . . . . . . . . . . 64.8 m . . . . . 0 C--N 1.327 -0.398 0 CA-C-N 116.315 -0.402 . . . . 1.18 110.721 176.601 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 520' ' ' ARG . . . . . . . . . . . . . 8.6 mtm-85 . . . . . 0 N--CA 1.451 -0.389 0 CA-C-O 121.075 0.464 . . . . 2.22 110.54 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 521' ' ' VAL . . . . . 0.648 HG13 HD21 ' A' ' 599' ' ' LEU . 86.2 t -117.36 121.6 68.0 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.007 0 CA-C-N 115.664 -0.698 . . . . 0.32 110.168 169.355 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 522' ' ' VAL . . . . . 0.468 ' HB ' ' O ' ' A' ' 561' ' ' LEU . 23.8 t -120.31 121.03 64.61 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.856 0 N-CA-C 107.724 -1.213 . . . . 0.22 107.724 178.306 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 523' ' ' HIS . . . . . 0.611 ' CE1' ' HB3' ' A' ' 558' ' ' GLN . 72.7 t60 -105.75 134.62 48.58 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-O 121.163 0.506 . . . . 0.44 110.747 -172.962 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 524' ' ' ILE . . . . . 0.482 HD11 HD22 ' A' ' 561' ' ' LEU . 28.1 mt -113.68 140.07 35.97 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.877 0 N-CA-C 108.431 -0.951 . . . . 0.19 108.431 177.488 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 525' ' ' CYS . . . . . 0.539 ' SG ' ' HB3' ' A' ' 589' ' ' LEU . 4.1 p -140.0 166.22 25.23 Favored 'General case' 0 C--N 1.314 -0.943 0 C-N-CA 120.503 -0.479 . . . . 1.17 111.669 -175.921 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 526' ' ' ASN . . . . . 0.486 ' HB2' ' O ' ' A' ' 525' ' ' CYS . 92.9 m-20 86.73 28.0 0.04 OUTLIER 'General case' 0 N--CA 1.471 0.593 0 O-C-N 124.991 1.432 . . . . 0.26 109.984 177.316 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 527' ' ' LEU . . . . . 0.559 ' HB3' ' SG ' ' A' ' 532' ' ' CYS . 81.0 mt -90.1 123.77 65.05 Favored Pre-proline 0 C--N 1.323 -0.57 0 CA-C-N 115.274 -0.875 . . . . 0.25 109.057 177.938 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 528' ' ' PRO . . . . . 0.427 ' HD3' ' HA ' ' A' ' 527' ' ' LEU . 8.3 Cg_exo -73.05 134.55 21.55 Favored 'Trans proline' 0 N--CA 1.46 -0.489 0 C-N-CA 121.733 1.622 . . . . 0.38 111.978 179.773 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 529' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -65.53 129.34 39.4 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 109.348 -0.612 . . . . 1.6 109.348 178.249 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 530' ' ' GLY . . . . . . . . . . . . . . . 94.88 4.2 61.79 Favored Glycine 0 N--CA 1.448 -0.523 0 C-N-CA 120.176 -1.011 . . . . 0.48 110.95 -172.569 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 531' ' ' SER . . . . . . . . . . . . . 64.8 m -150.36 9.81 0.65 Allowed 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.13 0.49 . . . . 1.08 110.309 -178.499 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 532' ' ' CYS . . . . . 0.559 ' SG ' ' HB3' ' A' ' 527' ' ' LEU . 41.4 m -92.21 85.95 5.61 Favored 'General case' 0 CA--C 1.513 -0.449 0 N-CA-C 108.51 -0.922 . . . . 0.25 108.51 177.115 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 533' ' ' THR . . . . . 0.466 ' O ' HG23 ' A' ' 537' ' ' VAL . 28.3 p -96.19 152.91 18.12 Favored 'General case' 0 N--CA 1.441 -0.89 0 C-N-CA 119.601 -0.84 . . . . 0.35 108.848 -178.246 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 534' ' ' GLU . . . . . 0.518 ' HA ' HD11 ' A' ' 552' ' ' LEU . 43.9 mt-10 -65.11 -34.79 79.24 Favored 'General case' 0 C--N 1.317 -0.837 0 N-CA-C 108.671 -0.863 . . . . 1.64 108.671 176.562 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 535' ' ' ASN . . . . . . . . . . . . . 4.6 m-20 -63.94 -48.29 77.11 Favored 'General case' 0 C--O 1.211 -0.964 0 CA-C-N 114.629 -1.169 . . . . 1.82 111.513 -176.68 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 536' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -69.88 -45.28 68.01 Favored 'General case' 0 N--CA 1.475 0.78 0 CA-C-N 118.604 0.638 . . . . 0.61 111.411 -173.878 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 537' ' ' VAL . . . . . 0.466 HG23 ' O ' ' A' ' 533' ' ' THR . 39.2 t -59.77 -47.89 89.64 Favored 'Isoleucine or valine' 0 C--O 1.243 0.712 0 CA-C-O 122.269 1.033 . . . . 0.15 110.039 -179.453 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 538' ' ' ILE . . . . . 0.621 HG21 HG13 ' A' ' 608' ' ' VAL . 72.6 mt -68.51 -32.25 54.54 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.904 0 CA-C-N 115.013 -0.994 . . . . 0.23 111.409 176.129 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 539' ' ' ASN . . . . . 0.473 ' HA ' HD11 ' A' ' 615' ' ' ILE . 94.1 m-20 -57.38 -27.88 62.7 Favored 'General case' 0 CA--C 1.513 -0.479 0 N-CA-C 109.98 -0.378 . . . . 0.25 109.98 175.495 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 540' ' ' LEU . . . . . 0.548 HD11 HD12 ' A' ' 588' ' ' LEU . 76.6 mt -75.35 -41.61 56.19 Favored 'General case' 0 C--N 1.32 -0.675 0 C-N-CA 120.722 -0.391 . . . . 0.27 109.993 175.366 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 541' ' ' GLY . . . . . 0.595 ' HA2' ' SD ' ' A' ' 572' ' ' MET . . . -67.3 -51.87 35.12 Favored Glycine 0 CA--C 1.528 0.851 0 N-CA-C 116.034 1.174 . . . . 0.19 116.034 -179.02 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 542' ' ' LEU . . . . . 0.539 ' HB2' ' CD1' ' A' ' 615' ' ' ILE . 62.1 mt -59.98 -40.91 82.01 Favored Pre-proline 0 C--N 1.318 -0.774 0 N-CA-C 115.443 1.645 . . . . 0.2 115.443 -167.768 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 543' ' ' PRO . . . . . 0.411 ' HG3' HG21 ' A' ' 615' ' ' ILE . 50.3 Cg_exo -60.11 -22.96 71.92 Favored 'Trans proline' 0 CA--C 1.534 0.512 0 C-N-CA 121.787 1.658 . . . . 0.23 113.574 -178.656 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 544' ' ' PHE . . . . . . . . . . . . . 92.6 m-85 -104.41 -13.52 16.05 Favored 'General case' 0 C--O 1.234 0.262 0 O-C-N 122.07 -0.394 . . . . 0.33 111.941 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 545' ' ' GLY . . . . . 0.504 ' O ' ' HA ' ' A' ' 542' ' ' LEU . . . -178.04 -174.63 44.52 Favored Glycine 0 C--O 1.225 -0.453 0 C-N-CA 120.573 -0.822 . . . . 0.44 112.292 -177.29 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 546' ' ' LYS . . . . . . . . . . . . . 63.2 tttp -95.7 122.97 39.03 Favored 'General case' 0 C--N 1.321 -0.659 0 O-C-N 122.304 -0.527 . . . . 2.07 110.107 -177.443 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 547' ' ' VAL . . . . . 0.59 ' HB ' HG11 ' A' ' 608' ' ' VAL . 77.2 t -85.18 114.26 24.98 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-O 120.915 0.388 . . . . 0.2 109.973 175.72 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 548' ' ' THR . . . . . . . . . . . . . 25.0 p -98.04 -35.02 10.57 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.993 -0.548 . . . . 0.31 111.598 179.384 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 549' ' ' ASN . . . . . 0.426 ' HB2' ' CB ' ' A' ' 562' ' ' GLU . 90.8 m-20 -141.87 153.58 44.54 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.082 -0.508 . . . . 1.26 109.751 -178.917 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 550' ' ' TYR . . . . . 0.594 ' CG ' HD11 ' A' ' 538' ' ' ILE . 3.3 p90 -157.03 151.93 25.9 Favored 'General case' 0 C--N 1.318 -0.761 0 N-CA-C 109.451 -0.574 . . . . 0.31 109.451 -178.692 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 551' ' ' ILE . . . . . 0.559 ' HB ' ' HB2' ' A' ' 560' ' ' PHE . 66.7 mt -141.35 123.73 14.67 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 N-CA-C 108.349 -0.982 . . . . 0.22 108.349 -177.4 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 552' ' ' LEU . . . . . 0.518 HD11 ' HA ' ' A' ' 534' ' ' GLU . 19.7 mt -107.23 119.24 38.84 Favored 'General case' 0 C--N 1.315 -0.897 0 C-N-CA 120.192 -0.603 . . . . 0.43 111.449 -177.493 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 553' ' ' MET . . . . . . . . . . . . . 22.4 mtp -109.94 79.51 1.22 Allowed 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 108.708 -0.849 . . . . 1.03 108.708 -178.09 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 554' ' ' LYS . . . . . 0.539 ' HD2' ' HB2' ' A' ' 532' ' ' CYS . 20.7 mmtp -53.98 -31.13 49.86 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 114.824 -1.08 . . . . 1.03 112.861 176.062 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 555' ' ' SER . . . . . . . . . . . . . 66.8 p -70.14 -45.34 66.99 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 120.899 0.38 . . . . 0.51 111.63 -172.797 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 556' ' ' THR . . . . . 0.468 ' O ' ' HG3' ' A' ' 558' ' ' GLN . 44.8 p -98.72 6.94 46.62 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.398 -0.365 . . . . 0.45 111.797 -174.508 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 557' ' ' ASN . . . . . . . . . . . . . 18.7 m120 59.95 39.8 19.71 Favored 'General case' 0 C--O 1.237 0.426 0 CA-C-O 121.642 0.734 . . . . 1.28 110.252 -177.828 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 558' ' ' GLN . . . . . 0.611 ' HB3' ' CE1' ' A' ' 523' ' ' HIS . 50.3 mt-30 -135.36 166.39 23.25 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.128 -0.942 . . . . 0.84 109.972 -176.033 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 559' ' ' ALA . . . . . . . . . . . . . . . -159.1 164.19 35.53 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.922 0.392 . . . . 0.16 111.177 174.807 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 560' ' ' PHE . . . . . 0.559 ' HB2' ' HB ' ' A' ' 551' ' ' ILE . 93.9 m-85 -120.0 148.11 43.96 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.235 -0.439 . . . . 0.35 110.619 176.277 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 561' ' ' LEU . . . . . 0.482 HD22 HD11 ' A' ' 524' ' ' ILE . 50.2 tp -136.9 118.99 15.41 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.769 -0.65 . . . . 0.2 110.047 -178.975 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 562' ' ' GLU . . . . . 0.426 ' CB ' ' HB2' ' A' ' 549' ' ' ASN . 0.2 OUTLIER -100.93 135.9 41.65 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.234 0.54 . . . . 2.09 109.99 177.586 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 563' ' ' MET . . . . . 0.663 ' SD ' ' HA ' ' A' ' 569' ' ' ALA . 34.0 mtt -124.15 142.37 51.28 Favored 'General case' 0 C--N 1.315 -0.913 0 CA-C-N 115.154 -0.93 . . . . 0.39 108.789 -172.947 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 564' ' ' ALA . . . . . . . . . . . . . . . -59.88 -26.86 66.21 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 112.69 0.626 . . . . 0.5 112.69 -168.683 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 565' ' ' TYR . . . . . . . . . . . . . 89.5 m-85 -141.2 155.7 46.02 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.208 0.528 . . . . 1.15 110.99 179.297 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 566' ' ' THR . . . . . . . . . . . . . 14.7 t -64.82 -26.89 68.53 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.278 -0.873 . . . . 0.57 110.699 -179.207 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 567' ' ' GLU . . . . . 0.425 ' HA ' ' OE1' ' A' ' 570' ' ' GLN . 6.4 pt-20 -57.91 -33.29 68.61 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-N 115.934 -0.575 . . . . 0.89 111.005 177.018 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 568' ' ' ALA . . . . . 0.668 ' O ' ' HG3' ' A' ' 572' ' ' MET . . . -73.78 -43.6 58.45 Favored 'General case' 0 N--CA 1.449 -0.495 0 CA-C-N 115.963 -0.562 . . . . 0.26 110.301 -177.669 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 569' ' ' ALA . . . . . 0.663 ' HA ' ' SD ' ' A' ' 563' ' ' MET . . . -62.02 -45.2 94.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.88 -0.6 . . . . 0.24 111.25 -175.959 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 570' ' ' GLN . . . . . 0.425 ' OE1' ' HA ' ' A' ' 567' ' ' GLU . 4.9 pt20 -67.54 -38.78 84.69 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.265 -0.425 . . . . 1.24 110.835 -178.261 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 571' ' ' ALA . . . . . . . . . . . . . . . -64.64 -44.25 91.06 Favored 'General case' 0 N--CA 1.453 -0.296 0 CA-C-N 116.275 -0.42 . . . . 0.31 111.185 -177.923 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 572' ' ' MET . . . . . 0.668 ' HG3' ' O ' ' A' ' 568' ' ' ALA . 26.1 mtt -68.44 -43.77 76.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.233 -0.439 . . . . 0.47 110.617 -178.24 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 573' ' ' VAL . . . . . 0.694 ' O ' ' HG2' ' A' ' 577' ' ' GLN . 71.6 t -58.68 -46.76 90.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 N-CA-C 110.049 -0.352 . . . . 0.34 110.049 178.629 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 574' ' ' GLN . . . . . . . . . . . . . 99.2 mt-30 -60.97 -37.08 81.19 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.933 0.396 . . . . 2.09 110.971 179.331 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 575' ' ' TYR . . . . . . . . . . . . . 78.3 t80 -69.45 -53.83 17.33 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.205 -0.452 . . . . 0.48 111.167 -178.485 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 576' ' ' TYR . . . . . 0.474 ' CD2' HD12 ' A' ' 590' ' ' ILE . 97.0 m-85 -76.68 -13.29 60.06 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 113.089 0.774 . . . . 0.36 113.089 -173.661 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 577' ' ' GLN . . . . . 0.694 ' HG2' ' O ' ' A' ' 573' ' ' VAL . 82.1 mm-40 -68.28 -42.03 80.13 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 109.275 -0.639 . . . . 1.89 109.275 171.821 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 578' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -88.17 -38.49 15.29 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.893 -0.594 . . . . 2.14 111.467 178.508 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 579' ' ' LYS . . . . . . . . . . . . . 62.9 mttp -130.74 84.39 58.79 Favored Pre-proline 0 C--N 1.327 -0.397 0 CA-C-O 120.7 0.286 . . . . 2.46 110.779 179.525 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 580' ' ' PRO . . . . . . . . . . . . . 48.2 Cg_endo -69.67 161.37 46.16 Favored 'Trans proline' 0 C--O 1.233 0.234 0 C-N-CA 122.845 2.363 . . . . 0.37 112.113 179.232 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 581' ' ' ALA . . . . . 0.411 ' O ' ' HG ' ' A' ' 588' ' ' LEU . . . -92.32 140.33 29.71 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.278 -0.419 . . . . 0.27 109.959 -178.251 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 582' ' ' ILE . . . . . . . . . . . . . 45.1 mt -100.14 124.41 53.59 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.769 0 CA-C-O 120.862 0.363 . . . . 0.51 111.762 -175.15 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 583' ' ' ILE . . . . . 0.417 ' CG1' HD11 ' A' ' 588' ' ' LEU . 33.2 mm -132.14 115.38 26.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 115.841 -0.618 . . . . 0.51 109.368 173.456 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 584' ' ' ASN . . . . . . . . . . . . . 83.1 m-20 56.8 33.35 22.89 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-O 121.093 0.473 . . . . 1.1 110.764 -178.294 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 585' ' ' GLY . . . . . . . . . . . . . . . 83.39 5.54 88.57 Favored Glycine 0 N--CA 1.447 -0.63 0 CA-C-N 115.761 -0.654 . . . . 0.44 113.258 176.827 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 586' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -110.68 127.92 55.49 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 117.025 0.413 . . . . 1.79 110.895 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 587' ' ' LYS . . . . . . . . . . . . . 32.2 mmtp -72.73 123.25 22.92 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.509 -0.768 . . . . 1.67 111.236 179.19 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 588' ' ' LEU . . . . . 0.548 HD12 HD11 ' A' ' 540' ' ' LEU . 47.3 mt -81.6 134.3 35.48 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 120.885 0.374 . . . . 0.24 110.598 178.907 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 589' ' ' LEU . . . . . 0.539 ' HB3' ' SG ' ' A' ' 525' ' ' CYS . 46.4 tp -112.85 113.46 25.55 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.869 -0.605 . . . . 0.38 110.896 -176.667 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 590' ' ' ILE . . . . . 0.474 HD12 ' CD2' ' A' ' 576' ' ' TYR . 17.2 mt -100.76 127.45 53.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.504 -0.316 . . . . 0.26 110.302 177.483 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 591' ' ' ARG . . . . . . . . . . . . . 18.5 mtp180 -147.36 162.61 38.62 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-N 116.407 -0.36 . . . . 2.62 110.595 -177.356 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 592' ' ' MET . . . . . . . . . . . . . 63.9 mtt -83.84 133.34 34.75 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 109.871 -0.418 . . . . 0.34 109.871 176.733 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 593' ' ' SER . . . . . 0.464 ' OG ' ' HB2' ' A' ' 523' ' ' HIS . 69.7 m -77.29 135.31 38.41 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.726 0.774 . . . . 1.37 112.366 -175.141 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 594' ' ' THR . . . . . . . . . . . . . 17.5 p -89.52 -15.89 31.95 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 114.707 -1.133 . . . . 0.38 111.624 -179.591 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 595' ' ' ARG . . . . . . . . . . . . . 60.7 mtp180 -101.65 -28.33 12.56 Favored 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 112.867 0.691 . . . . 2.75 112.867 -170.524 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 596' ' ' TYR . . . . . . . . . . . . . 71.3 m-85 -126.19 141.99 51.7 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.254 0.55 . . . . 0.65 112.225 -175.652 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 597' ' ' LYS . . . . . 0.468 ' N ' ' HD2' ' A' ' 597' ' ' LYS . 0.5 OUTLIER -110.02 -6.35 15.18 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 114.913 -1.04 . . . . 2.18 111.489 177.69 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 598' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -142.0 151.38 42.43 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.033 0.444 . . . . 0.95 110.996 -176.334 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 599' ' ' LEU . . . . . 0.648 HD21 HG13 ' A' ' 521' ' ' VAL . 54.0 mt -123.65 121.19 34.91 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.368 -0.833 . . . . 0.45 110.159 177.642 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 600' ' ' GLN . . . . . . . . . . . . . 35.3 tt0 -111.87 123.94 51.32 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 116.12 -0.491 . . . . 1.52 109.877 177.719 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 601' ' ' LEU . . . . . . . . . . . . . 48.2 mt -75.9 90.06 2.94 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.973 0.416 . . . . 0.46 110.824 -179.685 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 602' ' ' LYS . . . . . . . . . . . . . 93.9 mttt -73.77 -13.76 61.0 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.866 -0.606 . . . . 1.73 110.538 178.36 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 603' ' ' LYS . . . . . . . . . . . . . 34.7 mmtp . . . . . 0 C--N 1.325 -0.491 0 CA-C-N 115.862 -0.608 . . . . 1.69 109.82 -179.64 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 607' ' ' ASN . . . . . . . . . . . . . 25.5 t-20 . . . . . 0 C--O 1.233 0.231 0 CA-C-O 121.166 0.508 . . . . 1.33 111.007 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 608' ' ' VAL . . . . . 0.621 HG13 HG21 ' A' ' 538' ' ' ILE . 73.6 t -91.46 -23.67 5.77 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 CA-C-N 115.591 -0.731 . . . . 0.3 111.302 -175.084 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 609' ' ' ALA . . . . . . . . . . . . . . . -60.46 -33.2 72.22 Favored 'General case' 0 C--O 1.237 0.414 0 CA-C-O 121.411 0.624 . . . . 0.44 110.99 176.463 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 610' ' ' ALA . . . . . . . . . . . . . . . -63.31 -28.58 70.11 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.813 -0.63 . . . . 0.4 110.35 176.377 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 611' ' ' ILE . . . . . 0.401 ' O ' HG13 ' A' ' 615' ' ' ILE . 76.7 mt -71.67 -29.33 33.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 115.773 -0.648 . . . . 0.25 109.711 178.289 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 612' ' ' ILE . . . . . 0.534 ' CG1' HD13 ' A' ' 542' ' ' LEU . 65.0 mt -60.44 -43.53 94.31 Favored 'Isoleucine or valine' 0 C--O 1.233 0.236 0 N-CA-C 109.561 -0.533 . . . . 0.31 109.561 172.218 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 613' ' ' GLN . . . . . . . . . . . . . 26.1 mm-40 -64.38 -32.25 73.79 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.455 -0.793 . . . . 2.31 109.854 177.207 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 614' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -66.09 -43.75 86.42 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.062 -0.972 . . . . 1.95 110.445 178.979 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 615' ' ' ILE . . . . . 0.539 ' CD1' ' HB2' ' A' ' 542' ' ' LEU . 85.3 mt -62.69 -47.7 91.64 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 115.981 -0.554 . . . . 0.35 110.736 177.382 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 616' ' ' HIS . . . . . . . . . . . . . 61.8 m170 -64.74 -35.41 80.98 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.448 -0.796 . . . . 1.26 111.226 -178.971 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 617' ' ' SER . . . . . . . . . . . . . 33.8 t . . . . . 0 C--N 1.325 -0.458 0 CA-C-O 120.729 0.3 . . . . 1.18 111.16 179.446 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 520' ' ' ARG . . . . . 0.736 ' NH1' ' HA ' ' A' ' 566' ' ' THR . 6.0 mtm105 . . . . . 0 N--CA 1.45 -0.467 0 CA-C-O 121.019 0.437 . . . . 2.22 111.175 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 521' ' ' VAL . . . . . 0.846 HG13 HD21 ' A' ' 599' ' ' LEU . 84.8 t -117.11 124.07 72.57 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 CA-C-N 115.67 -0.695 . . . . 0.32 110.9 169.349 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 522' ' ' VAL . . . . . 0.593 ' HB ' ' O ' ' A' ' 561' ' ' LEU . 25.2 t -120.2 121.62 66.22 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 N-CA-C 108.142 -1.058 . . . . 0.22 108.142 173.668 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 523' ' ' HIS . . . . . 0.472 ' HB2' ' OG ' ' A' ' 593' ' ' SER . 47.5 t-80 -105.68 132.59 51.63 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 121.258 0.551 . . . . 0.44 110.842 -173.527 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 524' ' ' ILE . . . . . 0.46 HG23 HG12 ' A' ' 590' ' ' ILE . 29.3 mt -111.11 141.4 26.59 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.931 0 N-CA-C 107.984 -1.117 . . . . 0.19 107.984 176.149 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 525' ' ' CYS . . . . . 0.496 ' SG ' ' HB3' ' A' ' 589' ' ' LEU . 3.2 p -144.53 166.32 25.47 Favored 'General case' 0 C--N 1.309 -1.163 0 C-N-CA 120.226 -0.59 . . . . 1.17 111.787 -176.47 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 526' ' ' ASN . . . . . 0.47 ' HB2' ' O ' ' A' ' 525' ' ' CYS . 92.9 m-20 83.47 31.14 0.07 Allowed 'General case' 0 N--CA 1.465 0.315 0 O-C-N 124.827 1.329 . . . . 0.26 110.335 177.603 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 527' ' ' LEU . . . . . 0.432 ' HA ' ' HD3' ' A' ' 528' ' ' PRO . 80.0 mt -85.43 133.87 41.42 Favored Pre-proline 0 C--N 1.325 -0.481 0 CA-C-N 115.281 -0.872 . . . . 0.25 108.697 175.888 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 528' ' ' PRO . . . . . 0.442 ' HB2' ' HB2' ' A' ' 531' ' ' SER . 6.1 Cg_exo -73.84 134.38 19.83 Favored 'Trans proline' 0 N--CA 1.456 -0.732 0 C-N-CA 121.266 1.311 . . . . 0.38 111.489 -178.636 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 529' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -65.13 135.54 55.63 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.89 -0.596 . . . . 1.6 109.735 178.817 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 530' ' ' GLY . . . . . . . . . . . . . . . 82.27 3.04 90.69 Favored Glycine 0 N--CA 1.448 -0.509 0 C-N-CA 120.443 -0.885 . . . . 0.48 111.795 -173.477 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 531' ' ' SER . . . . . 0.442 ' HB2' ' HB2' ' A' ' 528' ' ' PRO . 48.8 m -142.28 15.08 2.03 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.165 0.507 . . . . 1.08 110.095 -176.161 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 532' ' ' CYS . . . . . . . . . . . . . 57.5 m -92.45 90.65 7.28 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 108.94 -0.763 . . . . 0.25 108.94 179.131 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 533' ' ' THR . . . . . 0.562 ' O ' HG23 ' A' ' 537' ' ' VAL . 29.8 p -98.41 149.13 22.99 Favored 'General case' 0 N--CA 1.445 -0.698 0 N-CA-C 108.765 -0.828 . . . . 0.35 108.765 -179.919 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 534' ' ' GLU . . . . . 0.526 ' N ' HD11 ' A' ' 552' ' ' LEU . 41.3 mt-10 -67.75 -34.54 77.03 Favored 'General case' 0 C--N 1.317 -0.805 0 N-CA-C 109.048 -0.723 . . . . 1.64 109.048 176.537 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 535' ' ' ASN . . . . . . . . . . . . . 26.1 t-20 -62.87 -49.07 76.3 Favored 'General case' 0 N--CA 1.446 -0.652 0 CA-C-N 114.293 -1.321 . . . . 1.82 111.6 -175.524 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 536' ' ' ASP . . . . . . . . . . . . . 17.5 m-20 -70.19 -41.93 73.06 Favored 'General case' 0 N--CA 1.472 0.648 0 CA-C-N 118.338 0.517 . . . . 0.61 111.16 -175.794 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 537' ' ' VAL . . . . . 0.562 HG23 ' O ' ' A' ' 533' ' ' THR . 44.0 t -60.06 -47.95 89.84 Favored 'Isoleucine or valine' 0 C--O 1.242 0.695 0 CA-C-N 115.205 -0.907 . . . . 0.15 109.809 179.898 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 538' ' ' ILE . . . . . 0.659 HD11 ' CG ' ' A' ' 550' ' ' TYR . 54.1 mt -68.54 -34.34 64.85 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 CA-C-N 115.503 -0.771 . . . . 0.23 111.565 176.336 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 539' ' ' ASN . . . . . 0.586 ' HA ' HD11 ' A' ' 615' ' ' ILE . 97.5 m-20 -58.61 -26.39 63.64 Favored 'General case' 0 N--CA 1.467 0.4 0 O-C-N 122.203 -0.31 . . . . 0.25 110.473 177.515 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 540' ' ' LEU . . . . . 0.475 HD11 HD12 ' A' ' 588' ' ' LEU . 93.4 mt -75.62 -41.16 55.09 Favored 'General case' 0 C--N 1.323 -0.572 0 C-N-CA 120.781 -0.367 . . . . 0.27 110.276 173.4 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 541' ' ' GLY . . . . . 0.487 ' HA3' HD21 ' A' ' 561' ' ' LEU . . . -64.87 -52.72 39.5 Favored Glycine 0 CA--C 1.524 0.627 0 N-CA-C 115.589 0.996 . . . . 0.19 115.589 179.657 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 542' ' ' LEU . . . . . 0.548 ' HB2' ' CD1' ' A' ' 615' ' ' ILE . 61.0 mt -58.14 -44.37 99.2 Favored Pre-proline 0 C--N 1.32 -0.677 0 N-CA-C 115.099 1.518 . . . . 0.2 115.099 -167.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 543' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -58.88 -26.68 81.82 Favored 'Trans proline' 0 C--N 1.347 0.486 0 C-N-CA 122.119 1.88 . . . . 0.23 113.492 -179.07 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 544' ' ' PHE . . . . . 0.507 ' HB2' ' HE2' ' A' ' 572' ' ' MET . 97.8 m-85 -101.25 -12.01 19.04 Favored 'General case' 0 C--N 1.331 -0.227 0 O-C-N 122.193 -0.317 . . . . 0.33 111.412 178.661 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 545' ' ' GLY . . . . . 0.546 ' O ' ' HA ' ' A' ' 542' ' ' LEU . . . 174.81 151.7 8.65 Favored Glycine 0 N--CA 1.449 -0.497 0 C-N-CA 120.706 -0.759 . . . . 0.44 112.182 -179.678 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 546' ' ' LYS . . . . . . . . . . . . . 63.1 tttm -66.53 127.44 32.35 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.037 0.446 . . . . 2.07 110.747 -178.416 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 547' ' ' VAL . . . . . 0.572 ' HB ' HG11 ' A' ' 608' ' ' VAL . 70.2 t -87.85 115.82 28.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 115.443 -0.799 . . . . 0.2 110.222 -179.942 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 548' ' ' THR . . . . . . . . . . . . . 22.8 p -97.67 -33.84 11.16 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-N 115.856 -0.611 . . . . 0.31 111.698 -179.645 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 549' ' ' ASN . . . . . 0.467 ' HB2' ' HB2' ' A' ' 562' ' ' GLU . 22.0 m-80 -142.83 149.33 38.45 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 109.966 -0.383 . . . . 1.26 109.966 -178.5 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 550' ' ' TYR . . . . . 0.659 ' CG ' HD11 ' A' ' 538' ' ' ILE . 4.7 p90 -156.37 150.77 25.56 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 116.202 -0.454 . . . . 0.31 109.89 -179.729 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 551' ' ' ILE . . . . . 0.521 ' HB ' ' HB2' ' A' ' 560' ' ' PHE . 69.1 mt -144.74 124.31 6.86 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 N-CA-C 107.922 -1.14 . . . . 0.22 107.922 -175.454 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 552' ' ' LEU . . . . . 0.526 HD11 ' N ' ' A' ' 534' ' ' GLU . 28.9 mt -106.35 117.39 33.92 Favored 'General case' 0 C--N 1.312 -1.038 0 C-N-CA 119.556 -0.858 . . . . 0.43 110.264 -179.758 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 553' ' ' MET . . . . . . . . . . . . . 35.5 mtp -98.15 80.78 2.72 Favored 'General case' 0 C--N 1.317 -0.841 0 N-CA-C 108.353 -0.98 . . . . 1.03 108.353 -176.868 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 554' ' ' LYS . . . . . . . . . . . . . 19.8 mmtm -54.17 -29.14 44.5 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 114.785 -1.098 . . . . 1.03 112.793 177.886 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 555' ' ' SER . . . . . . . . . . . . . 67.1 p -69.58 -45.3 68.98 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 111.746 0.276 . . . . 0.51 111.746 -174.008 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 556' ' ' THR . . . . . . . . . . . . . 44.5 p -102.12 8.32 40.78 Favored 'General case' 0 C--O 1.236 0.342 0 N-CA-C 113.052 0.76 . . . . 0.45 113.052 -173.554 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 557' ' ' ASN . . . . . . . . . . . . . 43.5 m-80 60.29 41.24 16.75 Favored 'General case' 0 N--CA 1.473 0.701 0 CA-C-O 121.787 0.804 . . . . 1.28 110.158 -176.427 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 558' ' ' GLN . . . . . . . . . . . . . 28.3 mt-30 -136.62 168.44 19.5 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 114.994 -1.003 . . . . 0.84 109.855 -174.86 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 559' ' ' ALA . . . . . 0.409 ' HB1' HD23 ' A' ' 552' ' ' LEU . . . -159.2 166.03 32.31 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.989 0.424 . . . . 0.16 111.491 177.175 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 560' ' ' PHE . . . . . 0.521 ' HB2' ' HB ' ' A' ' 551' ' ' ILE . 86.1 m-85 -120.68 146.66 46.2 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 116.102 -0.499 . . . . 0.35 110.774 176.262 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 561' ' ' LEU . . . . . 0.593 ' O ' ' HB ' ' A' ' 522' ' ' VAL . 46.1 tp -138.49 118.13 13.06 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.896 -0.593 . . . . 0.2 110.351 -179.905 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 562' ' ' GLU . . . . . 0.467 ' HB2' ' HB2' ' A' ' 549' ' ' ASN . 0.0 OUTLIER -105.02 137.63 42.47 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.389 0.614 . . . . 2.09 110.43 178.099 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 563' ' ' MET . . . . . 0.452 ' H ' HH21 ' A' ' 520' ' ' ARG . 2.7 mtt -124.45 151.29 44.71 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 115.077 -0.965 . . . . 0.39 109.309 -171.382 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 564' ' ' ALA . . . . . . . . . . . . . . . -71.2 -17.46 62.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.803 0.335 . . . . 0.5 111.622 -169.194 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 565' ' ' TYR . . . . . . . . . . . . . 84.0 m-85 -138.73 144.16 39.37 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 109.399 -0.593 . . . . 1.15 109.399 178.923 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 566' ' ' THR . . . . . 0.736 ' HA ' ' NH1' ' A' ' 520' ' ' ARG . 5.0 t -67.69 -27.69 67.04 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.243 -0.435 . . . . 0.57 110.392 -178.488 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 567' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -56.31 -31.29 63.54 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-N 115.363 -0.835 . . . . 0.89 110.99 175.524 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 568' ' ' ALA . . . . . 0.714 ' O ' ' HG3' ' A' ' 572' ' ' MET . . . -68.79 -42.21 77.69 Favored 'General case' 0 N--CA 1.449 -0.484 0 CA-C-N 116.07 -0.514 . . . . 0.26 110.245 -176.959 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 569' ' ' ALA . . . . . 0.539 ' CB ' HH12 ' A' ' 520' ' ' ARG . . . -66.1 -45.13 82.27 Favored 'General case' 0 CA--C 1.514 -0.429 0 CA-C-N 116.302 -0.408 . . . . 0.24 111.521 -176.165 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 570' ' ' GLN . . . . . . . . . . . . . 12.9 pt20 -68.04 -35.78 78.82 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.397 -0.365 . . . . 1.24 110.346 -178.699 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 571' ' ' ALA . . . . . . . . . . . . . . . -63.48 -43.64 96.69 Favored 'General case' 0 N--CA 1.453 -0.293 0 CA-C-N 116.395 -0.366 . . . . 0.31 110.502 176.013 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 572' ' ' MET . . . . . 0.714 ' HG3' ' O ' ' A' ' 568' ' ' ALA . 31.1 mtt -66.61 -44.46 82.02 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.433 -0.349 . . . . 0.47 110.504 178.126 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 573' ' ' VAL . . . . . 0.517 HG23 ' O ' ' A' ' 569' ' ' ALA . 76.2 t -59.14 -47.2 90.94 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.299 0 C-N-CA 121.208 -0.197 . . . . 0.34 110.481 179.58 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 574' ' ' GLN . . . . . . . . . . . . . 79.8 mm-40 -61.27 -38.99 88.72 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.969 0.414 . . . . 2.09 110.618 178.017 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 575' ' ' TYR . . . . . . . . . . . . . 86.9 t80 -69.66 -53.9 16.48 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.91 -0.586 . . . . 0.48 111.276 -178.329 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 576' ' ' TYR . . . . . 0.565 ' HA ' ' O ' ' A' ' 579' ' ' LYS . 82.2 m-85 -76.41 -13.66 60.11 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 112.755 0.65 . . . . 0.36 112.755 -174.586 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 577' ' ' GLN . . . . . 0.489 ' HA ' ' OE1' ' A' ' 577' ' ' GLN . 13.2 mm-40 -77.09 -41.65 41.31 Favored 'General case' 0 C--N 1.325 -0.47 0 C-N-CA 120.318 -0.553 . . . . 1.89 110.322 170.708 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 578' ' ' GLU . . . . . . . . . . . . . 28.5 mm-40 -77.39 -37.54 51.81 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.019 0.438 . . . . 2.14 110.283 177.265 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 579' ' ' LYS . . . . . 0.565 ' O ' ' HA ' ' A' ' 576' ' ' TYR . 57.9 mtpt -138.4 96.05 10.01 Favored Pre-proline 0 C--N 1.326 -0.439 0 CA-C-N 116.042 -0.526 . . . . 2.46 110.058 177.769 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 580' ' ' PRO . . . . . . . . . . . . . 38.3 Cg_endo -66.72 159.6 50.42 Favored 'Trans proline' 0 C--O 1.234 0.293 0 C-N-CA 122.069 1.846 . . . . 0.37 111.76 179.206 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 581' ' ' ALA . . . . . 0.417 ' HB2' ' CE1' ' A' ' 576' ' ' TYR . . . -92.02 137.05 32.68 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.367 -0.379 . . . . 0.27 110.115 -177.306 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 582' ' ' ILE . . . . . . . . . . . . . 25.8 mt -100.61 118.5 47.39 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.679 0 CA-C-O 120.922 0.391 . . . . 0.51 111.148 -175.778 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 583' ' ' ILE . . . . . 0.416 ' CG1' HD11 ' A' ' 588' ' ' LEU . 32.0 mm -127.51 113.82 33.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 N-CA-C 109.5 -0.555 . . . . 0.51 109.5 173.321 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 584' ' ' ASN . . . . . 0.484 HD22 ' N ' ' A' ' 584' ' ' ASN . 0.8 OUTLIER 59.65 33.67 22.01 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-O 121.53 0.681 . . . . 1.1 109.991 -177.622 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 585' ' ' GLY . . . . . . . . . . . . . . . 81.28 3.01 90.74 Favored Glycine 0 N--CA 1.445 -0.703 0 CA-C-N 115.223 -0.899 . . . . 0.44 112.955 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 586' ' ' GLU . . . . . . . . . . . . . 10.4 mm-40 -100.54 126.34 46.97 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.123 0.487 . . . . 1.79 111.105 -178.931 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 587' ' ' LYS . . . . . . . . . . . . . 34.0 mmtp -76.82 118.54 19.53 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.111 -0.95 . . . . 1.67 110.82 177.147 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 588' ' ' LEU . . . . . 0.475 HD12 HD11 ' A' ' 540' ' ' LEU . 36.3 mt -86.31 141.12 29.47 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.1 -0.5 . . . . 0.24 111.241 -177.666 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 589' ' ' LEU . . . . . 0.496 ' HB3' ' SG ' ' A' ' 525' ' ' CYS . 58.8 tp -113.6 112.56 23.72 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.796 -0.638 . . . . 0.38 110.803 179.471 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 590' ' ' ILE . . . . . 0.49 HD12 ' CD2' ' A' ' 576' ' ' TYR . 25.4 mt -102.94 121.38 54.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 N-CA-C 110.083 -0.339 . . . . 0.26 110.083 176.254 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 591' ' ' ARG . . . . . . . . . . . . . 15.2 mtp180 -147.19 166.03 28.24 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-N 116.52 -0.309 . . . . 2.62 110.505 -176.743 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 592' ' ' MET . . . . . . . . . . . . . 63.3 mtt -82.71 142.8 31.37 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 110.098 -0.334 . . . . 0.34 110.098 178.731 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 593' ' ' SER . . . . . 0.472 ' OG ' ' HB2' ' A' ' 523' ' ' HIS . 74.1 m -85.84 139.23 31.45 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.618 0.723 . . . . 1.37 112.243 -177.326 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 594' ' ' THR . . . . . . . . . . . . . 18.5 p -90.89 -16.42 28.19 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 114.453 -1.249 . . . . 0.38 112.483 -178.296 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 595' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -101.63 -29.82 11.71 Favored 'General case' 0 N--CA 1.466 0.344 0 N-CA-C 112.497 0.554 . . . . 2.75 112.497 -169.677 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 596' ' ' TYR . . . . . . . . . . . . . 84.4 m-85 -119.82 150.82 39.81 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.047 0.451 . . . . 0.65 111.546 -174.652 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 597' ' ' LYS . . . . . 0.471 ' N ' ' HD2' ' A' ' 597' ' ' LYS . 0.4 OUTLIER -108.14 -18.86 13.67 Favored 'General case' 0 C--O 1.22 -0.47 0 CA-C-N 115.553 -0.749 . . . . 2.18 111.557 -178.536 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 598' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -143.2 150.09 38.88 Favored 'General case' 0 C--N 1.326 -0.439 0 C-N-CA 120.375 -0.53 . . . . 0.95 111.171 -178.516 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 599' ' ' LEU . . . . . 0.846 HD21 HG13 ' A' ' 521' ' ' VAL . 38.9 mt -101.26 121.21 41.46 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.64 -0.709 . . . . 0.45 110.417 175.722 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 600' ' ' GLN . . . . . . . . . . . . . 51.5 tp60 -108.92 120.56 42.88 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 115.491 -0.777 . . . . 1.52 110.653 -178.668 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 601' ' ' LEU . . . . . . . . . . . . . 57.4 mt -80.17 91.66 5.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.155 0.502 . . . . 0.46 110.284 177.887 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 602' ' ' LYS . . . . . . . . . . . . . 54.7 mtpt -88.79 -11.55 44.59 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.627 -0.715 . . . . 1.73 110.246 179.84 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 603' ' ' LYS . . . . . . . . . . . . . 75.3 mmtt . . . . . 0 C--N 1.322 -0.616 0 CA-C-N 115.783 -0.644 . . . . 1.69 109.557 178.082 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 607' ' ' ASN . . . . . . . . . . . . . 36.0 t30 . . . . . 0 C--O 1.233 0.218 0 CA-C-O 121.198 0.523 . . . . 1.33 111.588 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 608' ' ' VAL . . . . . 0.572 HG11 ' HB ' ' A' ' 547' ' ' VAL . 64.8 t -86.83 -24.28 6.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 115.572 -0.74 . . . . 0.3 111.215 -177.347 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 609' ' ' ALA . . . . . . . . . . . . . . . -61.26 -34.73 75.64 Favored 'General case' 0 C--O 1.238 0.498 0 CA-C-O 121.505 0.669 . . . . 0.44 110.677 177.953 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 610' ' ' ALA . . . . . . . . . . . . . . . -61.02 -32.3 71.9 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.43 -0.805 . . . . 0.4 110.187 175.571 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 611' ' ' ILE . . . . . 0.493 ' O ' HG13 ' A' ' 615' ' ' ILE . 71.0 mt -70.62 -32.04 48.2 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-N 115.627 -0.715 . . . . 0.25 109.807 -178.033 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 612' ' ' ILE . . . . . 0.493 HG12 HD22 ' A' ' 542' ' ' LEU . 44.3 mt -60.84 -44.3 97.35 Favored 'Isoleucine or valine' 0 C--O 1.234 0.263 0 CA-C-O 121.221 0.534 . . . . 0.31 109.618 175.138 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 613' ' ' GLN . . . . . . . . . . . . . 74.3 mt-30 -64.76 -36.93 85.89 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.371 -0.832 . . . . 2.31 110.178 178.543 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 614' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -65.17 -39.0 92.33 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.187 -0.915 . . . . 1.95 111.291 178.717 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 615' ' ' ILE . . . . . 0.586 HD11 ' HA ' ' A' ' 539' ' ' ASN . 85.2 mt -63.3 -49.06 84.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.747 0.308 . . . . 0.35 110.939 178.239 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 616' ' ' HIS . . . . . . . . . . . . . 58.3 m80 -67.31 -27.18 66.95 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.345 -0.389 . . . . 1.26 110.879 -178.267 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 617' ' ' SER . . . . . . . . . . . . . 28.8 t . . . . . 0 C--N 1.325 -0.49 0 CA-C-N 116.089 -0.505 . . . . 1.18 111.161 177.82 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 520' ' ' ARG . . . . . . . . . . . . . 11.9 mtm-85 . . . . . 0 N--CA 1.452 -0.347 0 CA-C-O 121.16 0.505 . . . . 2.22 110.842 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 521' ' ' VAL . . . . . 0.693 HG13 HD21 ' A' ' 599' ' ' LEU . 71.3 t -118.99 122.72 70.03 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.791 0 CA-C-N 115.513 -0.767 . . . . 0.32 110.67 168.407 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 522' ' ' VAL . . . . . 0.496 ' HB ' ' O ' ' A' ' 561' ' ' LEU . 23.0 t -120.27 122.28 67.89 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.837 0 N-CA-C 107.71 -1.219 . . . . 0.22 107.71 175.359 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 523' ' ' HIS . . . . . . . . . . . . . 57.6 t60 -105.06 131.59 52.38 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-O 121.069 0.461 . . . . 0.44 110.383 -172.7 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 524' ' ' ILE . . . . . 0.468 HD11 HD22 ' A' ' 561' ' ' LEU . 31.2 mt -111.04 136.57 46.69 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.906 0 N-CA-C 108.709 -0.849 . . . . 0.19 108.709 178.541 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 525' ' ' CYS . . . . . 0.481 ' O ' ' HB2' ' A' ' 526' ' ' ASN . 0.8 OUTLIER -142.63 164.42 30.17 Favored 'General case' 0 C--N 1.311 -1.077 0 C-N-CA 120.747 -0.381 . . . . 1.17 111.518 -176.442 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 526' ' ' ASN . . . . . 0.481 ' HB2' ' O ' ' A' ' 525' ' ' CYS . 93.6 m-20 84.69 23.58 0.1 Allowed 'General case' 0 N--CA 1.472 0.632 0 O-C-N 124.75 1.281 . . . . 0.26 110.194 178.941 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 527' ' ' LEU . . . . . 0.473 ' HB3' ' SG ' ' A' ' 532' ' ' CYS . 87.1 mt -81.52 123.36 80.99 Favored Pre-proline 0 C--N 1.325 -0.48 0 N-CA-C 108.061 -1.088 . . . . 0.25 108.061 177.31 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 528' ' ' PRO . . . . . 0.408 ' HD3' ' HA ' ' A' ' 527' ' ' LEU . 12.8 Cg_exo -70.41 132.78 22.96 Favored 'Trans proline' 0 N--CA 1.459 -0.519 0 C-N-CA 121.069 1.18 . . . . 0.38 111.729 -177.905 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 529' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -65.39 130.12 42.18 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 109.168 -0.679 . . . . 1.6 109.168 177.154 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 530' ' ' GLY . . . . . . . . . . . . . . . 96.12 3.6 60.28 Favored Glycine 0 N--CA 1.444 -0.781 0 C-N-CA 120.202 -0.999 . . . . 0.48 111.145 -173.507 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 531' ' ' SER . . . . . . . . . . . . . 23.1 t -148.54 10.98 0.86 Allowed 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.363 0.601 . . . . 1.08 109.611 -179.14 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 532' ' ' CYS . . . . . 0.538 ' HB2' ' HD2' ' A' ' 554' ' ' LYS . 85.4 m -92.15 87.94 6.31 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 109.168 -0.679 . . . . 0.25 109.168 -179.6 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 533' ' ' THR . . . . . 0.481 ' O ' HG23 ' A' ' 537' ' ' VAL . 28.0 p -104.21 153.31 21.12 Favored 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 109.05 -0.722 . . . . 0.35 109.05 -179.657 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 534' ' ' GLU . . . . . 0.756 ' HA ' HD11 ' A' ' 552' ' ' LEU . 54.9 mt-10 -64.39 -33.1 75.09 Favored 'General case' 0 C--N 1.319 -0.736 0 N-CA-C 109.263 -0.643 . . . . 1.64 109.263 177.155 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 535' ' ' ASN . . . . . . . . . . . . . 4.9 m-20 -61.78 -49.31 76.9 Favored 'General case' 0 C--O 1.213 -0.852 0 CA-C-N 115.188 -0.914 . . . . 1.82 111.394 178.714 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 536' ' ' ASP . . . . . . . . . . . . . 61.4 m-20 -69.03 -46.1 68.78 Favored 'General case' 0 N--CA 1.475 0.783 0 CA-C-O 121.478 0.656 . . . . 0.61 110.991 -172.037 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 537' ' ' VAL . . . . . 0.481 HG23 ' O ' ' A' ' 533' ' ' THR . 36.3 t -59.86 -48.1 89.0 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 CA-C-N 114.802 -1.09 . . . . 0.15 109.999 -178.318 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 538' ' ' ILE . . . . . 0.55 HG23 HG21 ' A' ' 547' ' ' VAL . 54.7 mt -69.04 -33.79 60.58 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.66 0 CA-C-N 115.5 -0.773 . . . . 0.23 111.853 176.817 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 539' ' ' ASN . . . . . 0.425 ' HA ' HD11 ' A' ' 615' ' ' ILE . 96.1 m-20 -57.96 -27.46 63.44 Favored 'General case' 0 CA--C 1.514 -0.407 0 N-CA-C 109.944 -0.391 . . . . 0.25 109.944 176.952 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 540' ' ' LEU . . . . . 0.492 HD11 HD12 ' A' ' 588' ' ' LEU . 90.8 mt -75.64 -41.12 54.99 Favored 'General case' 0 N--CA 1.444 -0.74 0 C-N-CA 120.859 -0.336 . . . . 0.27 110.135 174.474 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 541' ' ' GLY . . . . . 0.547 ' HA2' ' SD ' ' A' ' 572' ' ' MET . . . -68.37 -52.55 25.96 Favored Glycine 0 CA--C 1.525 0.667 0 N-CA-C 115.553 0.981 . . . . 0.19 115.553 -179.063 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 542' ' ' LEU . . . . . 0.475 ' HA ' ' O ' ' A' ' 545' ' ' GLY . 36.4 mt -55.64 -47.36 98.85 Favored Pre-proline 0 C--N 1.321 -0.633 0 N-CA-C 114.836 1.421 . . . . 0.2 114.836 -168.057 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 543' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_exo -58.5 -23.22 63.29 Favored 'Trans proline' 0 CA--C 1.535 0.558 0 C-N-CA 122.029 1.82 . . . . 0.23 113.726 -176.859 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 544' ' ' PHE . . . . . 0.414 ' HB2' ' HE2' ' A' ' 572' ' ' MET . 97.3 m-85 -102.15 -8.55 21.27 Favored 'General case' 0 C--O 1.234 0.267 0 O-C-N 121.867 -0.521 . . . . 0.33 111.342 178.445 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 545' ' ' GLY . . . . . 0.475 ' O ' ' HA ' ' A' ' 542' ' ' LEU . . . 169.66 152.89 8.17 Favored Glycine 0 N--CA 1.449 -0.484 0 C-N-CA 120.904 -0.665 . . . . 0.44 112.167 -178.837 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 546' ' ' LYS . . . . . . . . . . . . . 28.1 tptp -65.66 128.21 35.05 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.241 0.543 . . . . 2.07 111.235 -178.501 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 547' ' ' VAL . . . . . 0.608 ' HB ' HG11 ' A' ' 608' ' ' VAL . 70.0 t -87.69 116.83 30.48 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.684 0 CA-C-N 115.156 -0.929 . . . . 0.2 110.184 177.18 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 548' ' ' THR . . . . . . . . . . . . . 25.0 p -99.71 -34.36 10.22 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.294 -0.412 . . . . 0.31 112.031 179.015 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 549' ' ' ASN . . . . . 0.416 ' HB2' ' CB ' ' A' ' 562' ' ' GLU . 31.8 m-80 -142.39 151.91 42.32 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.906 0.384 . . . . 1.26 110.202 -178.81 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 550' ' ' TYR . . . . . 0.524 ' CG ' HD11 ' A' ' 538' ' ' ILE . 3.1 p90 -160.34 151.09 18.71 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.956 -0.566 . . . . 0.31 109.773 -178.321 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 551' ' ' ILE . . . . . 0.455 ' HB ' ' HB2' ' A' ' 560' ' ' PHE . 33.1 mt -143.42 121.51 6.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 N-CA-C 108.138 -1.06 . . . . 0.22 108.138 -178.035 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 552' ' ' LEU . . . . . 0.756 HD11 ' HA ' ' A' ' 534' ' ' GLU . 21.2 mt -111.67 124.47 52.38 Favored 'General case' 0 C--N 1.32 -0.712 0 C-N-CA 119.794 -0.762 . . . . 0.43 111.617 -176.848 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 553' ' ' MET . . . . . . . . . . . . . 4.2 mpp? -112.09 83.73 1.84 Allowed 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 109.018 -0.734 . . . . 1.03 109.018 174.587 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 554' ' ' LYS . . . . . 0.538 ' HD2' ' HB2' ' A' ' 532' ' ' CYS . 4.6 mmtp -53.11 -28.41 25.37 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.393 -0.821 . . . . 1.03 112.201 175.423 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 555' ' ' SER . . . . . . . . . . . . . 71.0 p -69.32 -38.93 78.47 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 111.833 0.308 . . . . 0.51 111.833 -173.463 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 556' ' ' THR . . . . . . . . . . . . . 40.6 p -105.55 7.04 32.73 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 112.419 0.525 . . . . 0.45 112.419 -175.301 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 557' ' ' ASN . . . . . . . . . . . . . 2.6 m-20 59.16 39.12 23.32 Favored 'General case' 0 N--CA 1.468 0.447 0 CA-C-O 121.562 0.696 . . . . 1.28 110.392 -177.57 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 558' ' ' GLN . . . . . . . . . . . . . 23.7 mt-30 -137.63 154.44 49.73 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.185 -0.916 . . . . 0.84 110.056 -174.781 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 559' ' ' ALA . . . . . . . . . . . . . . . -157.27 164.83 37.25 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.3 0.572 . . . . 0.16 111.982 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 560' ' ' PHE . . . . . 0.455 ' HB2' ' HB ' ' A' ' 551' ' ' ILE . 94.6 m-85 -121.18 145.66 47.6 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.281 -0.872 . . . . 0.35 110.609 176.697 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 561' ' ' LEU . . . . . 0.496 ' O ' ' HB ' ' A' ' 522' ' ' VAL . 60.5 tp -138.76 118.93 13.5 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.19 -0.459 . . . . 0.2 110.359 179.796 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 562' ' ' GLU . . . . . 0.416 ' CB ' ' HB2' ' A' ' 549' ' ' ASN . 0.1 OUTLIER -101.99 136.01 42.57 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.261 0.553 . . . . 2.09 109.842 176.471 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 563' ' ' MET . . . . . 0.558 ' SD ' ' HA ' ' A' ' 569' ' ' ALA . 28.2 mtt -122.8 141.26 52.03 Favored 'General case' 0 C--N 1.314 -0.971 0 CA-C-N 115.302 -0.863 . . . . 0.39 108.743 -172.24 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 564' ' ' ALA . . . . . . . . . . . . . . . -66.62 -16.29 64.08 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 112.348 0.499 . . . . 0.5 112.348 -168.644 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 565' ' ' TYR . . . . . 0.472 ' CB ' ' HG2' ' A' ' 567' ' ' GLU . 93.9 m-85 -138.57 142.2 39.23 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.273 -0.421 . . . . 1.15 110.037 -179.121 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 566' ' ' THR . . . . . . . . . . . . . 13.5 t -62.55 -27.27 69.06 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.556 -0.747 . . . . 0.57 110.437 179.278 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 567' ' ' GLU . . . . . 0.472 ' HG2' ' CB ' ' A' ' 565' ' ' TYR . 12.1 pt-20 -55.91 -33.72 64.91 Favored 'General case' 0 C--N 1.333 -0.122 0 CA-C-N 115.628 -0.715 . . . . 0.89 110.834 175.905 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 568' ' ' ALA . . . . . 0.67 ' O ' ' HG3' ' A' ' 572' ' ' MET . . . -73.49 -41.58 62.93 Favored 'General case' 0 N--CA 1.447 -0.579 0 CA-C-N 115.866 -0.606 . . . . 0.26 110.309 -174.826 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 569' ' ' ALA . . . . . 0.558 ' HA ' ' SD ' ' A' ' 563' ' ' MET . . . -64.85 -46.54 81.44 Favored 'General case' 0 N--CA 1.451 -0.402 0 CA-C-N 116.11 -0.496 . . . . 0.24 111.244 -175.173 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 570' ' ' GLN . . . . . . . . . . . . . 4.0 pt20 -69.67 -36.42 76.01 Favored 'General case' 0 C--N 1.326 -0.451 0 C-N-CA 120.714 -0.394 . . . . 1.24 110.784 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 571' ' ' ALA . . . . . . . . . . . . . . . -63.48 -45.67 89.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.567 -0.288 . . . . 0.31 111.225 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 572' ' ' MET . . . . . 0.67 ' HG3' ' O ' ' A' ' 568' ' ' ALA . 27.0 mtt -67.01 -45.0 78.88 Favored 'General case' 0 CA--C 1.516 -0.33 0 CA-C-N 116.537 -0.301 . . . . 0.47 110.989 -178.335 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 573' ' ' VAL . . . . . 0.555 ' O ' ' HG2' ' A' ' 577' ' ' GLN . 93.4 t -58.74 -47.6 88.58 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 C-N-CA 120.793 -0.363 . . . . 0.34 110.221 -179.412 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 574' ' ' GLN . . . . . . . . . . . . . 79.0 mt-30 -63.39 -37.45 87.33 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-O 120.906 0.384 . . . . 2.09 110.959 179.278 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 575' ' ' TYR . . . . . . . . . . . . . 86.3 t80 -68.25 -53.53 23.95 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.268 -0.423 . . . . 0.48 111.113 -179.456 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 576' ' ' TYR . . . . . 0.506 ' HA ' ' O ' ' A' ' 579' ' ' LYS . 80.5 m-85 -73.14 -13.12 61.12 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 112.648 0.61 . . . . 0.36 112.648 -176.527 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 577' ' ' GLN . . . . . 0.555 ' HG2' ' O ' ' A' ' 573' ' ' VAL . 11.6 mm-40 -71.37 -41.98 69.01 Favored 'General case' 0 C--N 1.327 -0.411 0 C-N-CA 120.616 -0.433 . . . . 1.89 110.203 171.165 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 578' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -88.18 -38.97 14.87 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.36 -0.382 . . . . 2.14 111.03 179.905 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 579' ' ' LYS . . . . . 0.506 ' O ' ' HA ' ' A' ' 576' ' ' TYR . 28.0 mtpp -128.95 92.55 39.48 Favored Pre-proline 0 C--N 1.324 -0.501 0 N-CA-C 109.878 -0.416 . . . . 2.46 109.878 176.615 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 580' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo -70.1 160.01 51.1 Favored 'Trans proline' 0 C--O 1.235 0.343 0 C-N-CA 122.292 1.994 . . . . 0.37 112.014 -179.549 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 581' ' ' ALA . . . . . 0.452 ' O ' ' HG ' ' A' ' 588' ' ' LEU . . . -91.51 132.87 35.98 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 109.765 -0.458 . . . . 0.27 109.765 179.549 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 582' ' ' ILE . . . . . . . . . . . . . 34.0 mt -103.45 120.18 53.07 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.752 0 CA-C-O 121.061 0.458 . . . . 0.51 111.343 -175.155 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 583' ' ' ILE . . . . . 0.402 ' CG1' HD11 ' A' ' 588' ' ' LEU . 27.3 mm -128.27 115.09 36.9 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 CA-C-N 115.595 -0.729 . . . . 0.51 109.682 174.528 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 584' ' ' ASN . . . . . . . . . . . . . 4.4 m-20 58.97 33.46 23.04 Favored 'General case' 0 N--CA 1.465 0.316 0 CA-C-O 121.608 0.718 . . . . 1.1 110.45 178.69 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 585' ' ' GLY . . . . . . . . . . . . . . . 85.12 -1.74 88.59 Favored Glycine 0 N--CA 1.445 -0.741 0 CA-C-N 115.073 -0.967 . . . . 0.44 113.707 177.472 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 586' ' ' GLU . . . . . . . . . . . . . 25.9 mt-10 -104.23 127.55 51.87 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 117.497 0.649 . . . . 1.79 111.11 -178.724 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 587' ' ' LYS . . . . . . . . . . . . . 30.0 mmtp -76.52 118.08 18.83 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.117 -0.947 . . . . 1.67 110.928 179.141 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 588' ' ' LEU . . . . . 0.492 HD12 HD11 ' A' ' 540' ' ' LEU . 44.2 mt -81.38 139.82 35.08 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.954 -0.566 . . . . 0.24 111.067 -177.004 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 589' ' ' LEU . . . . . . . . . . . . . 61.3 tp -113.03 113.62 25.71 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.898 -0.592 . . . . 0.38 110.976 -179.573 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 590' ' ' ILE . . . . . 0.443 HD12 ' CE2' ' A' ' 576' ' ' TYR . 24.1 mt -106.08 118.69 54.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 N-CA-C 110.041 -0.355 . . . . 0.26 110.041 175.055 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 591' ' ' ARG . . . . . . . . . . . . . 68.7 mtp180 -145.4 166.03 26.78 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-O 120.757 0.313 . . . . 2.62 110.608 -178.227 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 592' ' ' MET . . . . . . . . . . . . . 61.9 mtt -82.53 142.09 32.11 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.457 -0.338 . . . . 0.34 110.788 -177.191 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 593' ' ' SER . . . . . . . . . . . . . 47.6 t -86.58 137.52 32.43 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.538 0.685 . . . . 1.37 111.887 -174.964 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 594' ' ' THR . . . . . . . . . . . . . 17.0 p -90.95 -12.67 35.28 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 114.697 -1.138 . . . . 0.38 112.206 179.257 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 595' ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 -101.07 -30.95 11.31 Favored 'General case' 0 C--N 1.332 -0.189 0 N-CA-C 112.384 0.513 . . . . 2.75 112.384 -170.838 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 596' ' ' TYR . . . . . 0.452 ' HB3' HG21 ' A' ' 521' ' ' VAL . 47.8 m-85 -118.43 144.66 45.79 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 121.185 0.517 . . . . 0.65 111.614 -176.848 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 597' ' ' LYS . . . . . 0.607 ' N ' ' HD2' ' A' ' 597' ' ' LYS . 6.4 mptt -109.82 -9.94 14.79 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.293 -0.867 . . . . 2.18 110.271 176.315 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 598' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -144.67 150.22 36.98 Favored 'General case' 0 N--CA 1.45 -0.428 0 CA-C-N 116.36 -0.382 . . . . 0.95 110.832 -179.865 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 599' ' ' LEU . . . . . 0.693 HD21 HG13 ' A' ' 521' ' ' VAL . 47.7 mt -111.82 121.4 44.97 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.581 -0.736 . . . . 0.45 110.769 174.536 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 600' ' ' GLN . . . . . . . . . . . . . 27.7 tt0 -113.54 121.98 45.87 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.59 -0.732 . . . . 1.52 110.342 -179.832 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 601' ' ' LEU . . . . . . . . . . . . . 78.5 mt -75.21 90.13 2.56 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.889 0.376 . . . . 0.46 111.245 -179.203 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 602' ' ' LYS . . . . . . . . . . . . . 96.8 mttt -65.09 -35.25 80.55 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 108.856 -0.794 . . . . 1.73 108.856 171.672 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 603' ' ' LYS . . . . . . . . . . . . . 75.3 mmtt . . . . . 0 C--N 1.322 -0.62 0 CA-C-N 114.873 -1.058 . . . . 1.69 108.472 173.73 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 607' ' ' ASN . . . . . . . . . . . . . 33.5 t30 . . . . . 0 C--O 1.232 0.176 0 CA-C-O 121.239 0.542 . . . . 1.33 111.523 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 608' ' ' VAL . . . . . 0.608 HG11 ' HB ' ' A' ' 547' ' ' VAL . 46.2 t -85.59 -20.23 8.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-N 115.644 -0.707 . . . . 0.3 110.914 -177.476 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 609' ' ' ALA . . . . . . . . . . . . . . . -64.5 -34.81 79.09 Favored 'General case' 0 C--O 1.237 0.447 0 CA-C-O 121.533 0.682 . . . . 0.44 110.665 177.669 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 610' ' ' ALA . . . . . . . . . . . . . . . -64.88 -27.74 69.07 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.561 -0.745 . . . . 0.4 110.095 177.367 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 611' ' ' ILE . . . . . 0.459 ' CD1' HD12 ' A' ' 538' ' ' ILE . 74.4 mt -71.68 -29.4 34.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 115.725 -0.671 . . . . 0.25 109.779 177.949 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 612' ' ' ILE . . . . . . . . . . . . . 61.4 mt -60.74 -44.1 96.57 Favored 'Isoleucine or valine' 0 C--O 1.234 0.26 0 N-CA-C 109.554 -0.535 . . . . 0.31 109.554 173.012 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 613' ' ' GLN . . . . . . . . . . . . . 30.8 mm-40 -66.5 -30.64 71.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.344 0.592 . . . . 2.31 109.858 176.757 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 614' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -66.06 -39.43 90.09 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 114.995 -1.002 . . . . 1.95 110.708 -179.377 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 615' ' ' ILE . . . . . 0.428 ' CD1' ' HB2' ' A' ' 542' ' ' LEU . 87.9 mt -64.93 -42.97 96.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.455 . . . . 0.35 110.429 176.505 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 616' ' ' HIS . . . . . . . . . . . . . 36.5 m80 -66.38 -27.04 67.56 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.145 -0.48 . . . . 1.26 111.278 178.949 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 617' ' ' SER . . . . . . . . . . . . . 46.6 t . . . . . 0 C--N 1.329 -0.296 0 CA-C-O 121.199 0.523 . . . . 1.18 109.91 175.391 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 520' ' ' ARG . . . . . . . . . . . . . 50.0 mtm-85 . . . . . 0 N--CA 1.454 -0.258 0 CA-C-O 121.228 0.537 . . . . 2.22 111.243 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 521' ' ' VAL . . . . . 0.814 HG13 HD21 ' A' ' 599' ' ' LEU . 95.1 t -117.01 121.44 67.8 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.722 0 CA-C-N 115.225 -0.898 . . . . 0.32 110.648 171.252 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 522' ' ' VAL . . . . . 0.454 ' HB ' ' O ' ' A' ' 561' ' ' LEU . 24.2 t -121.63 122.59 67.43 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 N-CA-C 108.565 -0.902 . . . . 0.22 108.565 178.092 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 523' ' ' HIS . . . . . 0.439 ' HB2' ' OG ' ' A' ' 593' ' ' SER . 59.3 t-80 -105.69 135.4 47.18 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.097 0.475 . . . . 0.44 110.578 -175.147 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 524' ' ' ILE . . . . . 0.533 HD11 HD22 ' A' ' 561' ' ' LEU . 33.1 mt -111.2 138.85 37.83 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.801 0 N-CA-C 108.791 -0.818 . . . . 0.19 108.791 177.067 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 525' ' ' CYS . . . . . 0.459 ' O ' ' HB2' ' A' ' 526' ' ' ASN . 0.0 OUTLIER -132.65 159.06 40.68 Favored 'General case' 0 C--N 1.317 -0.843 0 C-N-CA 120.796 -0.362 . . . . 1.17 111.241 -171.922 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 526' ' ' ASN . . . . . 0.459 ' HB2' ' O ' ' A' ' 525' ' ' CYS . 87.4 m-20 86.95 30.67 0.03 OUTLIER 'General case' 0 N--CA 1.471 0.603 0 O-C-N 124.764 1.29 . . . . 0.26 110.924 173.784 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 527' ' ' LEU . . . . . 0.427 ' HA ' ' HD3' ' A' ' 528' ' ' PRO . 80.2 mt -92.86 124.66 57.89 Favored Pre-proline 0 C--N 1.323 -0.583 0 CA-C-N 115.561 -0.745 . . . . 0.25 109.559 177.379 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 528' ' ' PRO . . . . . 0.427 ' HD3' ' HA ' ' A' ' 527' ' ' LEU . 5.7 Cg_exo -74.23 133.68 18.15 Favored 'Trans proline' 0 N--CA 1.458 -0.606 0 C-N-CA 121.695 1.597 . . . . 0.38 111.379 -179.426 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 529' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -66.69 133.23 49.78 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 109.541 -0.54 . . . . 1.6 109.541 177.186 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 530' ' ' GLY . . . . . . . . . . . . . . . 90.42 3.54 71.9 Favored Glycine 0 N--CA 1.446 -0.645 0 N-CA-C 110.33 -1.108 . . . . 0.48 110.33 -171.113 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 531' ' ' SER . . . . . . . . . . . . . 55.5 m -149.55 9.02 0.7 Allowed 'General case' 0 N--CA 1.45 -0.457 0 CA-C-N 115.005 -0.598 . . . . 1.08 110.202 -177.969 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 532' ' ' CYS . . . . . 0.42 ' SG ' ' HB3' ' A' ' 527' ' ' LEU . 59.4 m -89.71 88.03 7.23 Favored 'General case' 0 CA--C 1.51 -0.571 0 N-CA-C 108.133 -1.062 . . . . 0.25 108.133 175.88 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 533' ' ' THR . . . . . 0.449 ' O ' HG23 ' A' ' 537' ' ' VAL . 30.3 p -96.11 150.36 20.59 Favored 'General case' 0 N--CA 1.441 -0.903 0 C-N-CA 119.728 -0.789 . . . . 0.35 109.225 -177.03 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 534' ' ' GLU . . . . . 0.46 ' N ' HD11 ' A' ' 552' ' ' LEU . 29.5 mt-10 -67.25 -33.59 75.64 Favored 'General case' 0 C--N 1.317 -0.818 0 N-CA-C 108.771 -0.826 . . . . 1.64 108.771 177.144 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 535' ' ' ASN . . . . . . . . . . . . . 6.0 m120 -64.47 -49.51 71.11 Favored 'General case' 0 C--O 1.213 -0.817 0 CA-C-N 114.67 -1.15 . . . . 1.82 111.862 -178.507 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 536' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -68.65 -44.59 73.79 Favored 'General case' 0 N--CA 1.474 0.75 0 CA-C-N 118.642 0.655 . . . . 0.61 111.206 -172.637 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 537' ' ' VAL . . . . . 0.462 HG21 HD21 ' A' ' 552' ' ' LEU . 40.4 t -61.11 -48.12 90.47 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.765 0 CA-C-N 114.764 -1.107 . . . . 0.15 110.336 -178.282 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 538' ' ' ILE . . . . . 0.579 HD11 ' CG ' ' A' ' 550' ' ' TYR . 65.8 mt -68.89 -34.33 63.8 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 CA-C-N 115.795 -0.638 . . . . 0.23 111.567 176.314 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 539' ' ' ASN . . . . . 0.502 ' HA ' HD11 ' A' ' 615' ' ' ILE . 93.3 m-20 -57.71 -28.54 63.93 Favored 'General case' 0 CA--C 1.514 -0.413 0 N-CA-C 110.411 -0.218 . . . . 0.25 110.411 178.622 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 540' ' ' LEU . . . . . 0.482 HD11 HD12 ' A' ' 588' ' ' LEU . 76.4 mt -76.99 -41.8 41.39 Favored 'General case' 0 C--N 1.324 -0.524 0 C-N-CA 120.797 -0.361 . . . . 0.27 110.399 174.028 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 541' ' ' GLY . . . . . 0.496 ' CA ' HD21 ' A' ' 561' ' ' LEU . . . -62.36 -52.47 49.08 Favored Glycine 0 CA--C 1.522 0.527 0 N-CA-C 115.47 0.948 . . . . 0.19 115.47 -179.189 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 542' ' ' LEU . . . . . 0.517 ' HB2' ' CD1' ' A' ' 615' ' ' ILE . 57.4 mt -57.05 -44.32 99.72 Favored Pre-proline 0 C--N 1.318 -0.766 0 N-CA-C 114.782 1.401 . . . . 0.2 114.782 -170.148 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 543' ' ' PRO . . . . . 0.431 ' HD2' ' O ' ' A' ' 540' ' ' LEU . 51.0 Cg_exo -58.11 -26.44 75.71 Favored 'Trans proline' 0 C--N 1.349 0.604 0 C-N-CA 122.105 1.87 . . . . 0.23 113.934 -177.143 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 544' ' ' PHE . . . . . 0.43 ' HB2' ' HE2' ' A' ' 572' ' ' MET . 95.7 m-85 -103.95 -6.66 21.05 Favored 'General case' 0 C--O 1.235 0.31 0 O-C-N 121.985 -0.447 . . . . 0.33 111.577 178.926 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 545' ' ' GLY . . . . . 0.487 ' O ' ' HA ' ' A' ' 542' ' ' LEU . . . 169.51 151.84 7.54 Favored Glycine 0 C--O 1.227 -0.312 0 C-N-CA 121.004 -0.617 . . . . 0.44 111.999 -179.401 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 546' ' ' LYS . . . . . . . . . . . . . 87.4 tttt -66.37 131.16 45.46 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.039 0.447 . . . . 2.07 111.08 -177.76 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 547' ' ' VAL . . . . . 0.612 ' HB ' HG11 ' A' ' 608' ' ' VAL . 69.7 t -87.88 116.12 29.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-N 115.595 -0.729 . . . . 0.2 110.784 178.174 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 548' ' ' THR . . . . . . . . . . . . . 23.1 p -93.84 -35.0 12.93 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.105 -0.498 . . . . 0.31 111.839 179.032 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 549' ' ' ASN . . . . . 0.489 ' HB2' ' CB ' ' A' ' 562' ' ' GLU . 90.3 m-20 -142.57 160.4 40.37 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.188 0.518 . . . . 1.26 110.767 178.539 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 550' ' ' TYR . . . . . 0.579 ' CG ' HD11 ' A' ' 538' ' ' ILE . 2.9 p90 -161.22 150.99 16.99 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.22 -0.9 . . . . 0.31 109.158 179.802 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 551' ' ' ILE . . . . . 0.467 ' HB ' ' HB2' ' A' ' 560' ' ' PHE . 77.1 mt -144.39 123.95 7.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 N-CA-C 108.396 -0.965 . . . . 0.22 108.396 -175.977 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 552' ' ' LEU . . . . . 0.462 HD21 HG21 ' A' ' 537' ' ' VAL . 31.5 mt -107.08 114.97 29.36 Favored 'General case' 0 C--N 1.316 -0.877 0 C-N-CA 120.198 -0.601 . . . . 0.43 110.827 -177.561 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 553' ' ' MET . . . . . 0.4 ' SD ' ' HE2' ' A' ' 560' ' ' PHE . 16.6 mtp -104.44 81.03 1.75 Allowed 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 108.366 -0.976 . . . . 1.03 108.366 -176.53 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 554' ' ' LYS . . . . . 0.404 ' HD2' ' HB2' ' A' ' 532' ' ' CYS . 14.1 mmtm -54.03 -29.24 42.98 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 114.703 -1.135 . . . . 1.03 112.533 177.188 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 555' ' ' SER . . . . . . . . . . . . . 65.4 p -69.16 -45.32 70.33 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.65 0.262 . . . . 0.51 111.671 -171.96 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 556' ' ' THR . . . . . 0.439 ' O ' ' HG3' ' A' ' 558' ' ' GLN . 44.1 p -99.83 6.83 45.32 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 112.352 0.501 . . . . 0.45 112.352 -176.169 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 557' ' ' ASN . . . . . . . . . . . . . 32.3 m-80 60.18 42.26 15.65 Favored 'General case' 0 C--O 1.236 0.38 0 CA-C-O 121.522 0.677 . . . . 1.28 110.175 -176.735 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 558' ' ' GLN . . . . . 0.439 ' HG3' ' O ' ' A' ' 556' ' ' THR . 27.1 mt-30 -139.52 167.18 22.68 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.21 -0.904 . . . . 0.84 110.044 -175.143 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 559' ' ' ALA . . . . . . . . . . . . . . . -158.95 165.88 33.1 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.976 0.417 . . . . 0.16 111.531 177.577 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 560' ' ' PHE . . . . . 0.467 ' HB2' ' HB ' ' A' ' 551' ' ' ILE . 83.8 m-85 -119.54 151.0 39.33 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.172 -0.467 . . . . 0.35 111.269 175.401 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 561' ' ' LEU . . . . . 0.538 HD23 ' HE2' ' A' ' 563' ' ' MET . 54.4 tp -137.46 118.81 14.68 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.252 -0.885 . . . . 0.2 109.78 179.836 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 562' ' ' GLU . . . . . 0.549 ' HB2' HD12 ' A' ' 599' ' ' LEU . 28.6 tt0 -99.93 124.96 45.82 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.417 0.627 . . . . 2.09 110.216 178.624 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 563' ' ' MET . . . . . 0.588 ' SD ' ' HA ' ' A' ' 569' ' ' ALA . 26.9 mtt -111.23 146.66 36.56 Favored 'General case' 0 C--N 1.315 -0.898 0 CA-C-N 114.989 -1.005 . . . . 0.39 109.531 -175.595 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 564' ' ' ALA . . . . . . . . . . . . . . . -66.62 -22.81 66.11 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.792 -0.64 . . . . 0.5 112.554 -170.856 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 565' ' ' TYR . . . . . 0.461 ' HB3' ' HG2' ' A' ' 567' ' ' GLU . 83.1 m-85 -143.32 156.8 44.8 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.005 0.431 . . . . 1.15 110.748 -179.878 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 566' ' ' THR . . . . . . . . . . . . . 12.2 t -68.12 -27.21 66.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.512 -0.767 . . . . 0.57 110.576 -178.597 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 567' ' ' GLU . . . . . 0.461 ' HG2' ' HB3' ' A' ' 565' ' ' TYR . 9.3 pt-20 -55.93 -32.97 64.27 Favored 'General case' 0 N--CA 1.462 0.149 0 CA-C-N 115.861 -0.609 . . . . 0.89 110.986 176.612 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 568' ' ' ALA . . . . . 0.608 ' O ' ' HG3' ' A' ' 572' ' ' MET . . . -73.55 -43.99 58.54 Favored 'General case' 0 N--CA 1.45 -0.431 0 CA-C-N 115.608 -0.724 . . . . 0.26 110.938 -176.525 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 569' ' ' ALA . . . . . 0.588 ' HA ' ' SD ' ' A' ' 563' ' ' MET . . . -64.39 -45.66 86.7 Favored 'General case' 0 CA--C 1.518 -0.258 0 CA-C-N 116.136 -0.484 . . . . 0.24 111.316 -174.871 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 570' ' ' GLN . . . . . . . . . . . . . 12.7 pt20 -67.64 -36.17 80.27 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.242 -0.436 . . . . 1.24 110.747 -179.138 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 571' ' ' ALA . . . . . . . . . . . . . . . -64.4 -45.51 87.28 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.238 -0.437 . . . . 0.31 110.972 179.882 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 572' ' ' MET . . . . . 0.608 ' HG3' ' O ' ' A' ' 568' ' ' ALA . 28.3 mtt -68.95 -43.48 74.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.358 -0.383 . . . . 0.47 111.071 -177.657 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 573' ' ' VAL . . . . . 0.531 HG23 ' O ' ' A' ' 569' ' ' ALA . 87.8 t -59.09 -47.94 88.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 C-N-CA 120.943 -0.303 . . . . 0.34 110.46 -178.903 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 574' ' ' GLN . . . . . . . . . . . . . 75.5 mt-30 -66.73 -37.5 84.79 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.847 0.356 . . . . 2.09 111.029 179.666 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 575' ' ' TYR . . . . . . . . . . . . . 86.9 t80 -68.0 -53.17 27.96 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.282 -0.417 . . . . 0.48 111.109 -178.746 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 576' ' ' TYR . . . . . 0.482 ' CD2' HD12 ' A' ' 590' ' ' ILE . 84.2 m-85 -73.72 -12.64 60.78 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 113.055 0.761 . . . . 0.36 113.055 -176.646 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 577' ' ' GLN . . . . . 0.506 ' HG3' ' O ' ' A' ' 573' ' ' VAL . 25.2 mt-30 -78.98 -33.96 44.64 Favored 'General case' 0 C--N 1.323 -0.56 0 C-N-CA 120.314 -0.554 . . . . 1.89 110.242 172.654 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 578' ' ' GLU . . . . . . . . . . . . . 16.5 mm-40 -88.72 -38.87 14.39 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.798 0.332 . . . . 2.14 110.932 177.013 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 579' ' ' LYS . . . . . 0.428 ' O ' ' HA ' ' A' ' 576' ' ' TYR . 97.5 mttt -132.2 92.47 28.8 Favored Pre-proline 0 C--N 1.327 -0.388 0 N-CA-C 109.648 -0.501 . . . . 2.46 109.648 176.601 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 580' ' ' PRO . . . . . . . . . . . . . 57.5 Cg_endo -72.46 160.4 46.86 Favored 'Trans proline' 0 N--CA 1.462 -0.371 0 C-N-CA 122.661 2.241 . . . . 0.37 112.691 -177.17 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 581' ' ' ALA . . . . . . . . . . . . . . . -93.31 133.33 36.65 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.856 -0.611 . . . . 0.27 109.364 176.776 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 582' ' ' ILE . . . . . . . . . . . . . 55.8 mt -99.95 120.42 49.34 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.816 0 CA-C-O 120.819 0.343 . . . . 0.51 110.755 -176.019 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 583' ' ' ILE . . . . . 0.457 HG13 HD11 ' A' ' 588' ' ' LEU . 32.7 mm -123.11 111.59 30.32 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 116.12 -0.491 . . . . 0.51 109.68 176.977 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 584' ' ' ASN . . . . . . . . . . . . . 20.8 m120 54.73 37.07 27.69 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-O 121.492 0.663 . . . . 1.1 110.583 -177.8 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 585' ' ' GLY . . . . . . . . . . . . . . . 84.59 2.63 88.77 Favored Glycine 0 N--CA 1.447 -0.614 0 CA-C-N 115.12 -0.946 . . . . 0.44 113.872 176.55 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 586' ' ' GLU . . . . . . . . . . . . . 33.6 mt-10 -111.29 126.96 55.45 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 117.375 0.587 . . . . 1.79 110.917 178.97 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 587' ' ' LYS . . . . . . . . . . . . . 95.0 mttt -73.83 126.16 29.78 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.447 -0.797 . . . . 1.67 111.384 179.631 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 588' ' ' LEU . . . . . 0.482 HD12 HD11 ' A' ' 540' ' ' LEU . 32.6 mt -80.67 141.27 35.08 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.065 0.459 . . . . 0.24 111.322 -179.843 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 589' ' ' LEU . . . . . . . . . . . . . 58.6 tp -112.54 111.21 21.88 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.594 -0.73 . . . . 0.38 110.352 176.905 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 590' ' ' ILE . . . . . 0.482 HD12 ' CD2' ' A' ' 576' ' ' TYR . 21.8 mt -102.61 120.04 51.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 N-CA-C 109.939 -0.393 . . . . 0.26 109.939 175.68 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 591' ' ' ARG . . . . . . . . . . . . . 76.4 mtt180 -147.5 165.63 29.71 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.996 0.427 . . . . 2.62 110.475 -177.78 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 592' ' ' MET . . . . . . . . . . . . . 62.9 mtt -82.32 136.98 34.92 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.902 -0.59 . . . . 0.34 110.561 -178.161 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 593' ' ' SER . . . . . 0.439 ' OG ' ' HB2' ' A' ' 523' ' ' HIS . 18.1 m -81.81 139.09 34.98 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.04 0.448 . . . . 1.37 111.528 -177.428 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 594' ' ' THR . . . . . . . . . . . . . 18.9 p -92.8 -13.51 29.08 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.123 -0.944 . . . . 0.38 113.028 -177.61 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 595' ' ' ARG . . . . . . . . . . . . . 68.5 mtt180 -103.14 -29.74 11.14 Favored 'General case' 0 N--CA 1.465 0.287 0 N-CA-C 113.149 0.796 . . . . 2.75 113.149 -170.927 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 596' ' ' TYR . . . . . . . . . . . . . 50.6 m-85 -117.69 146.98 43.35 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 112.471 0.545 . . . . 0.65 112.471 -175.781 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 597' ' ' LYS . . . . . 0.48 ' N ' ' HD2' ' A' ' 597' ' ' LYS . 0.5 OUTLIER -108.44 -12.7 14.98 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.37 -0.832 . . . . 2.18 111.611 178.701 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 598' ' ' GLU . . . . . . . . . . . . . 45.4 tt0 -146.37 149.45 33.8 Favored 'General case' 0 C--N 1.326 -0.441 0 C-N-CA 120.66 -0.416 . . . . 0.95 111.005 178.894 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 599' ' ' LEU . . . . . 0.814 HD21 HG13 ' A' ' 521' ' ' VAL . 72.8 mt -105.54 126.01 51.64 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.448 -0.796 . . . . 0.45 111.238 177.627 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 600' ' ' GLN . . . . . . . . . . . . . 28.5 tt0 -110.19 127.24 54.83 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.878 -0.601 . . . . 1.52 110.305 179.398 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 601' ' ' LEU . . . . . . . . . . . . . 68.4 mt -81.65 94.38 6.94 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.815 0.341 . . . . 0.46 110.817 -179.764 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 602' ' ' LYS . . . . . . . . . . . . . 96.6 mttt -76.31 -15.3 60.02 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.106 0.479 . . . . 1.73 110.56 176.45 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 603' ' ' LYS . . . . . . . . . . . . . 33.6 mmtp . . . . . 0 C--N 1.324 -0.511 0 CA-C-N 115.853 -0.612 . . . . 1.69 109.825 179.086 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 607' ' ' ASN . . . . . . . . . . . . . 30.3 t30 . . . . . 0 C--O 1.233 0.235 0 CA-C-O 121.266 0.555 . . . . 1.33 111.039 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 608' ' ' VAL . . . . . 0.612 HG11 ' HB ' ' A' ' 547' ' ' VAL . 92.5 t -89.12 -20.97 6.99 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.684 0 CA-C-N 115.275 -0.875 . . . . 0.3 110.868 -174.121 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 609' ' ' ALA . . . . . . . . . . . . . . . -63.67 -34.52 78.03 Favored 'General case' 0 C--O 1.239 0.503 0 CA-C-O 121.606 0.717 . . . . 0.44 110.027 174.175 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 610' ' ' ALA . . . . . . . . . . . . . . . -65.72 -27.27 68.2 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.431 -0.804 . . . . 0.4 110.017 175.72 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 611' ' ' ILE . . . . . 0.469 ' O ' ' HB3' ' A' ' 614' ' ' ASP . 75.0 mt -72.05 -29.44 32.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 115.792 -0.64 . . . . 0.25 109.904 177.915 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 612' ' ' ILE . . . . . . . . . . . . . 64.4 mt -61.19 -43.93 97.37 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.238 0 N-CA-C 109.519 -0.549 . . . . 0.31 109.519 171.993 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 613' ' ' GLN . . . . . . . . . . . . . 33.0 mm-40 -62.82 -32.89 74.18 Favored 'General case' 0 N--CA 1.463 0.194 0 CA-C-N 115.926 -0.579 . . . . 2.31 110.241 174.632 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 614' ' ' ASP . . . . . 0.469 ' HB3' ' O ' ' A' ' 611' ' ' ILE . 31.6 t70 -65.5 -44.97 85.36 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.071 -0.968 . . . . 1.95 110.43 179.604 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 615' ' ' ILE . . . . . 0.517 ' CD1' ' HB2' ' A' ' 542' ' ' LEU . 91.6 mt -62.67 -45.52 98.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 115.931 -0.577 . . . . 0.35 110.997 177.953 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 616' ' ' HIS . . . . . . . . . . . . . 34.1 m80 -65.09 -32.73 74.57 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.077 -0.51 . . . . 1.26 111.246 -179.593 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 617' ' ' SER . . . . . . . . . . . . . 22.8 t . . . . . 0 N--CA 1.449 -0.476 0 CA-C-N 116.281 -0.418 . . . . 1.18 110.339 179.412 . . . . . . . . 0 0 . 1 . 021 nuclear build core ' A' A ' 520' ' ' ARG . . . . . 0.407 HH11 ' HD3' ' A' ' 520' ' ' ARG . 21.6 mtm-85 . . . . . 0 N--CA 1.451 -0.381 0 CA-C-O 121.158 0.504 . . . . 2.22 110.676 . . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 521' ' ' VAL . . . . . 0.667 HG13 HD21 ' A' ' 599' ' ' LEU . 65.4 t -120.29 126.0 74.8 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 115.636 -0.711 . . . . 0.32 110.772 168.268 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 522' ' ' VAL . . . . . 0.545 ' HB ' ' O ' ' A' ' 561' ' ' LEU . 21.9 t -119.37 121.5 66.64 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.796 0 N-CA-C 107.368 -1.345 . . . . 0.22 107.368 172.452 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 523' ' ' HIS . . . . . . . . . . . . . 39.9 t-80 -106.4 129.91 54.31 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 121.229 0.538 . . . . 0.44 110.884 -172.198 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 524' ' ' ILE . . . . . 0.464 HG23 HG12 ' A' ' 590' ' ' ILE . 32.3 mt -111.11 140.52 30.01 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.918 0 N-CA-C 108.692 -0.855 . . . . 0.19 108.692 179.149 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 525' ' ' CYS . . . . . 0.475 ' O ' ' HB2' ' A' ' 526' ' ' ASN . 4.0 p -140.39 162.75 34.57 Favored 'General case' 0 C--N 1.316 -0.889 0 C-N-CA 120.606 -0.438 . . . . 1.17 111.827 -175.814 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 526' ' ' ASN . . . . . 0.475 ' HB2' ' O ' ' A' ' 525' ' ' CYS . 95.3 m-20 87.62 28.2 0.03 OUTLIER 'General case' 0 N--CA 1.472 0.658 0 O-C-N 124.922 1.389 . . . . 0.26 110.651 177.732 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 527' ' ' LEU . . . . . 0.42 ' HA ' ' HD3' ' A' ' 528' ' ' PRO . 90.0 mt -84.03 125.14 73.47 Favored Pre-proline 0 C--N 1.321 -0.646 0 N-CA-C 108.348 -0.982 . . . . 0.25 108.348 177.118 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 528' ' ' PRO . . . . . 0.42 ' HD3' ' HA ' ' A' ' 527' ' ' LEU . 3.1 Cg_exo -73.5 134.43 20.54 Favored 'Trans proline' 0 N--CA 1.458 -0.6 0 C-N-CA 121.446 1.431 . . . . 0.38 111.678 -178.734 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 529' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -64.61 138.3 58.32 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.029 -0.532 . . . . 1.6 109.568 178.153 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 530' ' ' GLY . . . . . . . . . . . . . . . 85.35 4.72 85.88 Favored Glycine 0 N--CA 1.445 -0.705 0 C-N-CA 120.07 -1.062 . . . . 0.48 111.157 -173.811 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 531' ' ' SER . . . . . . . . . . . . . 50.6 m -150.69 10.22 0.63 Allowed 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.142 0.496 . . . . 1.08 110.292 -176.249 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 532' ' ' CYS . . . . . 0.558 ' HB2' ' HD2' ' A' ' 554' ' ' LYS . 66.6 m -89.77 88.93 7.55 Favored 'General case' 0 N--CA 1.451 -0.417 0 N-CA-C 108.639 -0.874 . . . . 0.25 108.639 178.448 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 533' ' ' THR . . . . . 0.531 ' O ' HG23 ' A' ' 537' ' ' VAL . 72.6 p -102.03 151.1 22.55 Favored 'General case' 0 N--CA 1.443 -0.796 0 N-CA-C 109.018 -0.734 . . . . 0.35 109.018 -178.118 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 534' ' ' GLU . . . . . 0.782 ' HA ' HD11 ' A' ' 552' ' ' LEU . 13.0 mp0 -65.73 -33.78 76.67 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-O 121.472 0.653 . . . . 1.64 109.283 177.838 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 535' ' ' ASN . . . . . . . . . . . . . 64.6 t30 -62.32 -49.3 76.16 Favored 'General case' 0 N--CA 1.447 -0.611 0 CA-C-N 114.599 -1.182 . . . . 1.82 110.911 -176.373 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 536' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -70.42 -42.97 70.91 Favored 'General case' 0 N--CA 1.472 0.635 0 CA-C-O 121.109 0.48 . . . . 0.61 111.808 -173.25 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 537' ' ' VAL . . . . . 0.531 HG23 ' O ' ' A' ' 533' ' ' THR . 34.9 t -59.89 -47.61 90.9 Favored 'Isoleucine or valine' 0 C--O 1.243 0.736 0 CA-C-O 122.14 0.972 . . . . 0.15 109.694 -179.451 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 538' ' ' ILE . . . . . 0.602 HD11 ' CG ' ' A' ' 550' ' ' TYR . 68.0 mt -68.3 -33.1 58.58 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.772 0 CA-C-N 115.056 -0.974 . . . . 0.23 111.323 175.855 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 539' ' ' ASN . . . . . 0.494 ' HA ' HD11 ' A' ' 615' ' ' ILE . 96.9 m-20 -57.46 -28.19 63.13 Favored 'General case' 0 CA--C 1.513 -0.446 0 N-CA-C 110.366 -0.235 . . . . 0.25 110.366 177.279 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 540' ' ' LEU . . . . . 0.555 HD11 HD12 ' A' ' 588' ' ' LEU . 74.0 mt -76.45 -41.52 47.08 Favored 'General case' 0 C--N 1.323 -0.567 0 C-N-CA 120.668 -0.413 . . . . 0.27 110.326 174.421 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 541' ' ' GLY . . . . . 0.502 ' HA3' HD21 ' A' ' 561' ' ' LEU . . . -65.95 -52.63 35.98 Favored Glycine 0 CA--C 1.524 0.651 0 N-CA-C 115.533 0.973 . . . . 0.19 115.533 -179.122 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 542' ' ' LEU . . . . . 0.49 HD23 ' H ' ' A' ' 547' ' ' VAL . 48.4 mt -55.63 -47.05 99.53 Favored Pre-proline 0 C--N 1.32 -0.678 0 N-CA-C 115.007 1.484 . . . . 0.2 115.007 -168.711 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 543' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_exo -58.08 -23.79 62.72 Favored 'Trans proline' 0 C--N 1.348 0.529 0 C-N-CA 122.25 1.966 . . . . 0.23 114.303 -176.058 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 544' ' ' PHE . . . . . . . . . . . . . 99.6 m-85 -101.63 -16.57 16.68 Favored 'General case' 0 C--O 1.233 0.207 0 O-C-N 121.916 -0.49 . . . . 0.33 111.131 177.744 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 545' ' ' GLY . . . . . 0.478 ' O ' ' HA ' ' A' ' 542' ' ' LEU . . . -179.47 152.6 11.19 Favored Glycine 0 N--CA 1.448 -0.507 0 C-N-CA 120.723 -0.751 . . . . 0.44 112.004 -179.22 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 546' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -66.18 129.59 40.32 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 120.989 0.423 . . . . 2.07 110.79 -178.481 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 547' ' ' VAL . . . . . 0.617 ' HB ' HG11 ' A' ' 608' ' ' VAL . 72.8 t -86.08 114.66 26.08 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 CA-C-N 115.63 -0.714 . . . . 0.2 110.117 177.752 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 548' ' ' THR . . . . . . . . . . . . . 25.5 p -92.06 -36.33 13.42 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.14 -0.482 . . . . 0.31 111.363 -179.44 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 549' ' ' ASN . . . . . . . . . . . . . 44.6 m-80 -145.58 156.77 43.9 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.96 -0.564 . . . . 1.26 110.368 178.642 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 550' ' ' TYR . . . . . 0.602 ' CG ' HD11 ' A' ' 538' ' ' ILE . 3.9 p90 -157.3 150.99 24.21 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 116.109 -0.496 . . . . 0.31 109.708 -179.038 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 551' ' ' ILE . . . . . 0.449 ' HB ' ' HB2' ' A' ' 560' ' ' PHE . 52.0 mt -144.05 123.81 8.14 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 N-CA-C 108.04 -1.096 . . . . 0.22 108.04 -179.857 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 552' ' ' LEU . . . . . 0.782 HD11 ' HA ' ' A' ' 534' ' ' GLU . 21.0 mt -108.06 130.47 55.08 Favored 'General case' 0 C--N 1.313 -1.003 0 C-N-CA 119.074 -1.05 . . . . 0.43 110.322 179.988 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 553' ' ' MET . . . . . . . . . . . . . 65.7 mtm -109.19 83.31 1.73 Allowed 'General case' 0 C--N 1.318 -0.78 0 N-CA-C 108.695 -0.854 . . . . 1.03 108.695 179.179 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 554' ' ' LYS . . . . . 0.558 ' HD2' ' HB2' ' A' ' 532' ' ' CYS . 20.8 mmtp -53.17 -28.07 24.52 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 114.703 -1.135 . . . . 1.03 112.174 175.948 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 555' ' ' SER . . . . . . . . . . . . . 64.1 p -69.16 -44.09 72.96 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.71 0.29 . . . . 0.51 111.505 -175.869 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 556' ' ' THR . . . . . . . . . . . . . 41.8 p -98.75 4.13 47.69 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 112.372 0.508 . . . . 0.45 112.372 -174.895 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 557' ' ' ASN . . . . . . . . . . . . . 40.2 m-80 58.72 37.86 25.04 Favored 'General case' 0 N--CA 1.467 0.419 0 CA-C-O 121.585 0.707 . . . . 1.28 110.416 -176.657 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 558' ' ' GLN . . . . . . . . . . . . . 26.8 mt-30 -143.65 167.19 22.84 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.224 -0.898 . . . . 0.84 109.193 -176.56 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 559' ' ' ALA . . . . . . . . . . . . . . . -157.77 166.53 32.5 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 112.601 0.593 . . . . 0.16 112.601 -175.475 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 560' ' ' PHE . . . . . 0.449 ' HB2' ' HB ' ' A' ' 551' ' ' ILE . 89.7 m-85 -120.32 143.31 48.44 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.278 -0.874 . . . . 0.35 110.443 177.624 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 561' ' ' LEU . . . . . 0.545 ' O ' ' HB ' ' A' ' 522' ' ' VAL . 61.2 tp -135.83 119.74 17.43 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.999 -0.546 . . . . 0.2 110.34 -178.692 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 562' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -102.51 136.38 42.44 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.152 0.501 . . . . 2.09 110.204 177.317 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 563' ' ' MET . . . . . 0.63 ' SD ' ' HA ' ' A' ' 569' ' ' ALA . 34.9 mtt -120.1 163.43 17.69 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.52 -0.764 . . . . 0.39 109.801 -172.424 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 564' ' ' ALA . . . . . . . . . . . . . . . -62.95 -43.24 99.33 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 118.203 0.456 . . . . 0.5 111.698 -172.6 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 565' ' ' TYR . . . . . . . . . . . . . 89.1 m-85 -135.45 161.99 33.9 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 120.975 0.417 . . . . 1.15 111.148 -179.347 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 566' ' ' THR . . . . . . . . . . . . . 14.1 t -64.7 -27.95 69.26 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-N 115.634 -0.712 . . . . 0.57 110.8 -178.499 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 567' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -58.84 -32.62 69.58 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-N 116.06 -0.518 . . . . 0.89 111.089 178.619 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 568' ' ' ALA . . . . . 0.672 ' O ' ' HG3' ' A' ' 572' ' ' MET . . . -73.79 -41.53 62.25 Favored 'General case' 0 N--CA 1.45 -0.467 0 CA-C-N 116.115 -0.493 . . . . 0.26 110.056 -178.506 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 569' ' ' ALA . . . . . 0.63 ' HA ' ' SD ' ' A' ' 563' ' ' MET . . . -63.32 -46.08 88.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.853 -0.612 . . . . 0.24 111.292 -176.325 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 570' ' ' GLN . . . . . . . . . . . . . 17.0 pt20 -68.24 -36.4 79.4 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.188 -0.46 . . . . 1.24 110.654 -178.265 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 571' ' ' ALA . . . . . . . . . . . . . . . -64.5 -44.77 89.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.124 -0.489 . . . . 0.31 111.133 179.893 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 572' ' ' MET . . . . . 0.672 ' HG3' ' O ' ' A' ' 568' ' ' ALA . 26.1 mtt -69.18 -42.62 75.6 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.539 -0.3 . . . . 0.47 110.805 -178.938 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 573' ' ' VAL . . . . . 0.517 HG23 ' O ' ' A' ' 569' ' ' ALA . 75.1 t -59.38 -46.53 92.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 N-CA-C 110.315 -0.254 . . . . 0.34 110.315 179.199 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 574' ' ' GLN . . . . . 0.421 ' HA ' ' OE1' ' A' ' 574' ' ' GLN . 14.6 mm-40 -61.14 -38.07 85.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.954 0.406 . . . . 2.09 110.722 178.039 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 575' ' ' TYR . . . . . . . . . . . . . 87.9 t80 -69.48 -53.16 20.54 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.761 -0.654 . . . . 0.48 111.366 -178.05 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 576' ' ' TYR . . . . . 0.509 ' CD2' HD12 ' A' ' 590' ' ' ILE . 94.5 m-85 -77.01 -13.79 59.91 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 112.997 0.74 . . . . 0.36 112.997 -174.378 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 577' ' ' GLN . . . . . 0.496 ' HG3' ' O ' ' A' ' 573' ' ' VAL . 48.3 mt-30 -75.03 -32.19 61.52 Favored 'General case' 0 C--N 1.326 -0.435 0 C-N-CA 120.061 -0.656 . . . . 1.89 109.419 171.786 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 578' ' ' GLU . . . . . . . . . . . . . 17.3 mm-40 -89.91 -38.94 13.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.943 -0.572 . . . . 2.14 111.516 176.181 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 579' ' ' LYS . . . . . . . . . . . . . 58.8 mtpt -134.31 85.56 38.2 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 116.719 -0.218 . . . . 2.46 110.864 -179.624 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 580' ' ' PRO . . . . . . . . . . . . . 36.4 Cg_endo -65.71 160.1 45.18 Favored 'Trans proline' 0 C--O 1.233 0.259 0 C-N-CA 122.826 2.351 . . . . 0.37 112.388 178.683 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 581' ' ' ALA . . . . . . . . . . . . . . . -93.04 144.82 24.88 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.352 -0.385 . . . . 0.27 110.195 -179.994 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 582' ' ' ILE . . . . . . . . . . . . . 59.1 mt -101.27 121.82 52.61 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 N-CA-C 111.865 0.32 . . . . 0.51 111.865 -176.937 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 583' ' ' ILE . . . . . 0.455 ' CG1' HD11 ' A' ' 588' ' ' LEU . 30.3 mm -126.78 111.16 25.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 N-CA-C 109.139 -0.689 . . . . 0.51 109.139 170.16 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 584' ' ' ASN . . . . . . . . . . . . . 11.0 m120 56.13 35.77 26.25 Favored 'General case' 0 N--CA 1.464 0.275 0 CA-C-O 121.533 0.682 . . . . 1.1 110.514 -179.387 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 585' ' ' GLY . . . . . . . . . . . . . . . 83.8 6.91 86.53 Favored Glycine 0 N--CA 1.443 -0.849 0 CA-C-N 115.307 -0.861 . . . . 0.44 113.546 177.287 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 586' ' ' GLU . . . . . . . . . . . . . 20.3 mm-40 -101.14 125.07 47.73 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 117.367 0.583 . . . . 1.79 110.593 177.353 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 587' ' ' LYS . . . . . . . . . . . . . 74.0 mmtt -74.56 111.39 9.7 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.679 -0.692 . . . . 1.67 110.51 174.497 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 588' ' ' LEU . . . . . 0.555 HD12 HD11 ' A' ' 540' ' ' LEU . 56.1 mt -78.54 134.4 37.26 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.791 0.329 . . . . 0.24 110.767 -178.957 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 589' ' ' LEU . . . . . 0.453 ' HB3' ' SG ' ' A' ' 525' ' ' CYS . 57.9 tp -112.8 114.24 26.7 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.05 -0.523 . . . . 0.38 110.864 -178.191 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 590' ' ' ILE . . . . . 0.509 HD12 ' CD2' ' A' ' 576' ' ' TYR . 21.6 mt -100.35 120.88 50.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 N-CA-C 109.938 -0.393 . . . . 0.26 109.938 175.847 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 591' ' ' ARG . . . . . . . . . . . . . 69.4 mtp180 -146.89 165.42 29.81 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 109.633 -0.506 . . . . 2.62 109.633 -177.707 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 592' ' ' MET . . . . . . . . . . . . . 55.7 mtt -83.01 141.74 31.86 Favored 'General case' 0 C--N 1.319 -0.761 0 C-N-CA 120.911 -0.316 . . . . 0.34 110.54 -178.141 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 593' ' ' SER . . . . . . . . . . . . . 48.3 t -79.22 133.32 36.68 Favored 'General case' 0 C--O 1.239 0.521 0 CA-C-O 121.213 0.53 . . . . 1.37 111.166 -177.845 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 594' ' ' THR . . . . . . . . . . . . . 19.4 p -90.0 -14.95 32.9 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 114.578 -1.192 . . . . 0.38 111.342 179.179 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 595' ' ' ARG . . . . . . . . . . . . . 94.4 mtt180 -100.92 -29.53 12.16 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.758 0.313 . . . . 2.75 111.822 -173.084 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 596' ' ' TYR . . . . . . . . . . . . . 68.5 m-85 -118.87 143.29 47.06 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.424 0.631 . . . . 0.65 112.112 -175.663 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 597' ' ' LYS . . . . . . . . . . . . . 24.6 mmtp -107.5 -21.5 12.88 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 114.873 -1.058 . . . . 2.18 110.16 179.762 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 598' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -142.31 150.87 41.39 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.981 0.419 . . . . 0.95 110.812 -175.89 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 599' ' ' LEU . . . . . 0.667 HD21 HG13 ' A' ' 521' ' ' VAL . 74.0 mt -111.56 121.14 44.37 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.737 -0.665 . . . . 0.45 110.65 177.733 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 600' ' ' GLN . . . . . . . . . . . . . 28.8 tt0 -112.01 114.01 26.64 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.894 -0.593 . . . . 1.52 110.346 179.771 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 601' ' ' LEU . . . . . . . . . . . . . 57.6 mt -72.18 105.98 4.21 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.886 0.374 . . . . 0.46 111.039 179.186 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 602' ' ' LYS . . . . . . . . . . . . . 55.8 mtmt -90.33 -11.05 41.83 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 121.279 0.562 . . . . 1.73 110.069 174.01 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 603' ' ' LYS . . . . . . . . . . . . . 74.3 mmtt . . . . . 0 C--N 1.325 -0.499 0 CA-C-N 115.468 -0.787 . . . . 1.69 109.706 177.605 . . . . . . . . 0 0 . 1 . 021 nuclear build core ' A' A ' 607' ' ' ASN . . . . . . . . . . . . . 32.0 t30 . . . . . 0 N--CA 1.457 -0.115 0 CA-C-O 121.295 0.569 . . . . 1.33 110.885 . . . . . . . . . 0 0 . 1 . 021 nuclear build core ' A' A ' 608' ' ' VAL . . . . . 0.617 HG11 ' HB ' ' A' ' 547' ' ' VAL . 95.3 t -86.05 -18.44 8.83 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 CA-C-N 115.281 -0.872 . . . . 0.3 111.053 -175.786 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 609' ' ' ALA . . . . . . . . . . . . . . . -63.05 -34.67 78.08 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.291 0.567 . . . . 0.44 110.501 175.625 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 610' ' ' ALA . . . . . . . . . . . . . . . -65.55 -27.31 68.35 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.659 -0.7 . . . . 0.4 110.334 177.168 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 611' ' ' ILE . . . . . 0.441 ' O ' HG13 ' A' ' 615' ' ' ILE . 74.3 mt -71.97 -32.14 43.03 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.466 0 CA-C-N 115.629 -0.714 . . . . 0.25 109.951 178.047 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 612' ' ' ILE . . . . . 0.467 HG12 HD13 ' A' ' 542' ' ' LEU . 63.3 mt -61.11 -44.27 97.96 Favored 'Isoleucine or valine' 0 C--O 1.235 0.298 0 CA-C-O 121.108 0.48 . . . . 0.31 110.1 173.348 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 613' ' ' GLN . . . . . . . . . . . . . 74.8 mt-30 -63.39 -30.28 71.44 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.66 -0.7 . . . . 2.31 109.907 176.331 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 614' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -69.64 -44.52 70.42 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 114.739 -1.119 . . . . 1.95 110.137 -179.035 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 615' ' ' ILE . . . . . 0.494 HD11 ' HA ' ' A' ' 539' ' ' ASN . 88.0 mt -61.34 -48.55 88.38 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.246 0 CA-C-N 115.954 -0.566 . . . . 0.35 110.61 178.675 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 616' ' ' HIS . . . . . . . . . . . . . 14.7 m170 -63.54 -29.06 70.38 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.586 -0.734 . . . . 1.26 111.256 -177.835 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 617' ' ' SER . . . . . . . . . . . . . 11.2 t . . . . . 0 C--N 1.326 -0.455 0 CA-C-N 116.167 -0.469 . . . . 1.18 110.202 178.254 . . . . . . . . 0 0 . 1 . 022 nuclear build core ' A' A ' 520' ' ' ARG . . . . . . . . . . . . . 22.1 mtm-85 . . . . . 0 N--CA 1.453 -0.321 0 CA-C-O 121.122 0.487 . . . . 2.22 111.162 . . . . . . . . . 0 0 . 1 . 022 nuclear build core ' A' A ' 521' ' ' VAL . . . . . 0.833 HG13 HD21 ' A' ' 599' ' ' LEU . 90.5 t -117.19 120.29 64.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-N 115.565 -0.743 . . . . 0.32 110.409 172.302 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 522' ' ' VAL . . . . . 0.512 ' HB ' ' O ' ' A' ' 561' ' ' LEU . 21.9 t -121.44 121.78 65.53 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.811 0 N-CA-C 108.255 -1.017 . . . . 0.22 108.255 176.003 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 523' ' ' HIS . . . . . 0.417 ' HD2' ' CE1' ' A' ' 560' ' ' PHE . 59.3 t-80 -105.86 134.05 49.6 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.139 0.495 . . . . 0.44 110.664 -174.559 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 524' ' ' ILE . . . . . 0.487 HG23 HG12 ' A' ' 590' ' ' ILE . 24.9 mt -111.26 137.94 41.7 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.786 0 N-CA-C 108.42 -0.955 . . . . 0.19 108.42 177.748 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 525' ' ' CYS . . . . . 0.406 ' O ' ' HB2' ' A' ' 526' ' ' ASN . 0.0 OUTLIER -132.65 159.48 39.47 Favored 'General case' 0 C--N 1.319 -0.76 0 C-N-CA 120.539 -0.464 . . . . 1.17 111.639 -170.522 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 526' ' ' ASN . . . . . 0.406 ' HB2' ' O ' ' A' ' 525' ' ' CYS . 81.6 m-20 84.58 30.55 0.06 Allowed 'General case' 0 N--CA 1.47 0.554 0 O-C-N 124.768 1.293 . . . . 0.26 111.078 172.683 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 527' ' ' LEU . . . . . 0.418 ' HA ' ' HD3' ' A' ' 528' ' ' PRO . 84.5 mt -84.17 125.59 71.99 Favored Pre-proline 0 C--N 1.324 -0.502 0 CA-C-N 115.878 -0.601 . . . . 0.25 109.681 179.7 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 528' ' ' PRO . . . . . 0.418 ' HD3' ' HA ' ' A' ' 527' ' ' LEU . 3.1 Cg_exo -71.02 134.53 25.51 Favored 'Trans proline' 0 N--CA 1.458 -0.586 0 C-N-CA 121.558 1.505 . . . . 0.38 111.595 -178.136 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 529' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -66.63 138.35 57.38 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 109.449 -0.574 . . . . 1.6 109.449 176.832 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 530' ' ' GLY . . . . . . . . . . . . . . . 84.88 5.41 86.29 Favored Glycine 0 N--CA 1.445 -0.719 0 C-N-CA 119.995 -1.098 . . . . 0.48 110.721 -172.408 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 531' ' ' SER . . . . . . . . . . . . . 26.3 m -150.44 9.51 0.63 Allowed 'General case' 0 N--CA 1.452 -0.366 0 CA-C-O 121.13 0.491 . . . . 1.08 110.248 -175.635 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 532' ' ' CYS . . . . . . . . . . . . . 81.0 m -89.28 87.3 7.08 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 108.993 -0.743 . . . . 0.25 108.993 177.965 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 533' ' ' THR . . . . . 0.574 ' O ' HG23 ' A' ' 537' ' ' VAL . 82.8 p -104.32 149.04 25.7 Favored 'General case' 0 C--N 1.321 -0.66 0 C-N-CA 120.428 -0.509 . . . . 0.35 109.769 -179.809 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 534' ' ' GLU . . . . . 0.553 ' N ' HD11 ' A' ' 552' ' ' LEU . 38.5 mt-10 -67.86 -35.89 79.35 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.913 -0.585 . . . . 1.64 109.972 179.942 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 535' ' ' ASN . . . . . . . . . . . . . 58.7 t30 -59.92 -49.86 76.03 Favored 'General case' 0 C--O 1.217 -0.642 0 CA-C-N 114.915 -1.039 . . . . 1.82 110.937 -176.988 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 536' ' ' ASP . . . . . 0.502 ' HA ' ' ND2' ' A' ' 539' ' ' ASN . 3.3 m-20 -71.99 -40.73 68.35 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-O 121.152 0.501 . . . . 0.61 112.046 -172.64 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 537' ' ' VAL . . . . . 0.574 HG23 ' O ' ' A' ' 533' ' ' THR . 46.9 t -59.37 -48.09 88.31 Favored 'Isoleucine or valine' 0 C--O 1.244 0.807 0 CA-C-O 122.097 0.951 . . . . 0.15 109.651 178.757 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 538' ' ' ILE . . . . . 0.733 HD11 ' CG ' ' A' ' 550' ' ' TYR . 39.0 mt -67.93 -32.43 56.31 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.821 0 CA-C-N 115.157 -0.928 . . . . 0.23 111.203 174.986 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 539' ' ' ASN . . . . . 0.502 ' ND2' ' HA ' ' A' ' 536' ' ' ASP . 96.8 m-20 -56.92 -28.48 62.08 Favored 'General case' 0 CA--C 1.514 -0.42 0 N-CA-C 110.13 -0.322 . . . . 0.25 110.13 176.815 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 540' ' ' LEU . . . . . 0.487 HD11 HD12 ' A' ' 588' ' ' LEU . 94.8 mt -76.11 -41.96 48.62 Favored 'General case' 0 N--CA 1.445 -0.691 0 C-N-CA 120.647 -0.421 . . . . 0.27 110.06 174.696 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 541' ' ' GLY . . . . . 0.653 ' HA3' HD21 ' A' ' 561' ' ' LEU . . . -66.51 -52.58 33.91 Favored Glycine 0 CA--C 1.525 0.665 0 N-CA-C 115.906 1.122 . . . . 0.19 115.906 -178.346 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 542' ' ' LEU . . . . . 0.568 ' HB2' ' CD1' ' A' ' 615' ' ' ILE . 45.2 mt -56.83 -43.64 99.45 Favored Pre-proline 0 C--N 1.32 -0.68 0 N-CA-C 114.945 1.461 . . . . 0.2 114.945 -168.329 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 543' ' ' PRO . . . . . 0.45 ' HG3' HG21 ' A' ' 615' ' ' ILE . 52.0 Cg_exo -59.38 -26.34 81.59 Favored 'Trans proline' 0 C--N 1.35 0.629 0 C-N-CA 121.993 1.796 . . . . 0.23 113.487 -177.891 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 544' ' ' PHE . . . . . . . . . . . . . 94.7 m-85 -99.4 -13.98 19.34 Favored 'General case' 0 C--N 1.33 -0.25 0 O-C-N 122.145 -0.347 . . . . 0.33 111.386 178.24 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 545' ' ' GLY . . . . . 0.545 ' O ' ' HA ' ' A' ' 542' ' ' LEU . . . 176.24 155.84 14.01 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.41 -0.9 . . . . 0.44 112.799 -178.687 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 546' ' ' LYS . . . . . . . . . . . . . 86.9 tttt -65.73 127.34 31.56 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.142 0.496 . . . . 2.07 111.604 -179.681 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 547' ' ' VAL . . . . . 0.586 HG21 HG23 ' A' ' 538' ' ' ILE . 79.4 t -90.38 115.99 30.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 115.5 -0.773 . . . . 0.2 110.811 176.407 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 548' ' ' THR . . . . . . . . . . . . . 21.5 p -92.57 -35.08 13.76 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 112.191 0.441 . . . . 0.31 112.191 178.498 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 549' ' ' ASN . . . . . 0.457 ' OD1' HD11 ' A' ' 601' ' ' LEU . 90.4 m-20 -142.71 162.46 35.4 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.042 0.448 . . . . 1.26 110.991 179.332 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 550' ' ' TYR . . . . . 0.733 ' CG ' HD11 ' A' ' 538' ' ' ILE . 1.7 p90 -160.38 151.06 18.58 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.61 -0.723 . . . . 0.31 109.858 -179.976 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 551' ' ' ILE . . . . . 0.54 ' HB ' ' HB2' ' A' ' 560' ' ' PHE . 60.4 mt -144.2 127.23 11.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 N-CA-C 108.201 -1.036 . . . . 0.22 108.201 -178.234 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 552' ' ' LEU . . . . . 0.553 HD11 ' N ' ' A' ' 534' ' ' GLU . 27.9 mt -106.25 124.43 49.57 Favored 'General case' 0 C--N 1.31 -1.145 0 C-N-CA 119.932 -0.707 . . . . 0.43 110.312 179.279 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 553' ' ' MET . . . . . . . . . . . . . 30.1 mtp -104.63 80.37 1.66 Allowed 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 108.435 -0.95 . . . . 1.03 108.435 -179.88 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 554' ' ' LYS . . . . . . . . . . . . . 26.1 mmtp -53.92 -28.67 38.29 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 114.768 -1.106 . . . . 1.03 112.589 175.557 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 555' ' ' SER . . . . . . . . . . . . . 65.7 p -68.88 -44.85 72.41 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 111.755 0.279 . . . . 0.51 111.755 -174.099 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 556' ' ' THR . . . . . . . . . . . . . 44.4 p -104.78 8.67 34.99 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 112.809 0.67 . . . . 0.45 112.809 -174.166 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 557' ' ' ASN . . . . . . . . . . . . . 18.5 m120 59.94 40.61 18.77 Favored 'General case' 0 N--CA 1.469 0.518 0 CA-C-O 121.597 0.713 . . . . 1.28 110.25 -176.355 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 558' ' ' GLN . . . . . 0.41 ' HB3' ' NE2' ' A' ' 523' ' ' HIS . 27.9 mt-30 -135.45 167.82 20.37 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.091 -0.959 . . . . 0.84 109.412 -175.644 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 559' ' ' ALA . . . . . . . . . . . . . . . -159.14 165.66 33.25 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.115 0.483 . . . . 0.16 111.776 176.462 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 560' ' ' PHE . . . . . 0.54 ' HB2' ' HB ' ' A' ' 551' ' ' ILE . 91.7 m-85 -119.89 148.51 43.4 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.589 -0.732 . . . . 0.35 110.875 176.53 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 561' ' ' LEU . . . . . 0.653 HD21 ' HA3' ' A' ' 541' ' ' GLY . 50.6 tp -137.8 119.58 15.2 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.348 -0.842 . . . . 0.2 110.0 179.809 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 562' ' ' GLU . . . . . 0.588 ' HB2' HD12 ' A' ' 599' ' ' LEU . 30.4 tt0 -99.13 128.08 45.2 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.343 0.592 . . . . 2.09 110.421 179.598 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 563' ' ' MET . . . . . 0.7 ' SD ' ' HA ' ' A' ' 569' ' ' ALA . 36.6 mtt -112.93 152.25 29.56 Favored 'General case' 0 C--N 1.316 -0.864 0 CA-C-N 115.216 -0.902 . . . . 0.39 109.234 -176.684 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 564' ' ' ALA . . . . . . . . . . . . . . . -73.76 -16.64 61.16 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.044 -0.525 . . . . 0.5 111.971 -170.423 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 565' ' ' TYR . . . . . 0.439 ' CB ' ' HG2' ' A' ' 567' ' ' GLU . 72.7 m-85 -143.41 148.05 35.56 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 109.883 -0.414 . . . . 1.15 109.883 -178.797 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 566' ' ' THR . . . . . . . . . . . . . 14.5 t -67.58 -27.38 66.88 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.175 -0.466 . . . . 0.57 110.197 179.147 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 567' ' ' GLU . . . . . 0.439 ' HG2' ' CB ' ' A' ' 565' ' ' TYR . 11.4 pt-20 -58.83 -32.7 69.63 Favored 'General case' 0 CA--C 1.526 0.052 0 CA-C-N 115.737 -0.665 . . . . 0.89 110.704 175.855 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 568' ' ' ALA . . . . . 0.689 ' O ' ' HG3' ' A' ' 572' ' ' MET . . . -74.01 -42.97 59.55 Favored 'General case' 0 N--CA 1.448 -0.528 0 CA-C-N 115.839 -0.619 . . . . 0.26 109.84 -177.866 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 569' ' ' ALA . . . . . 0.7 ' HA ' ' SD ' ' A' ' 563' ' ' MET . . . -62.74 -46.04 89.91 Favored 'General case' 0 N--CA 1.45 -0.459 0 CA-C-N 115.546 -0.752 . . . . 0.24 111.449 -176.135 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 570' ' ' GLN . . . . . 0.477 ' O ' ' HG2' ' A' ' 574' ' ' GLN . 13.5 pt20 -69.12 -36.67 77.75 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.387 -0.37 . . . . 1.24 110.644 -178.012 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 571' ' ' ALA . . . . . . . . . . . . . . . -64.01 -44.16 93.45 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.197 -0.456 . . . . 0.31 111.266 -178.665 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 572' ' ' MET . . . . . 0.689 ' HG3' ' O ' ' A' ' 568' ' ' ALA . 24.7 mtt -68.5 -40.92 80.69 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.356 -0.384 . . . . 0.47 110.291 -179.375 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 573' ' ' VAL . . . . . 0.621 ' O ' ' HG2' ' A' ' 577' ' ' GLN . 85.9 t -59.65 -48.3 87.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 N-CA-C 110.104 -0.332 . . . . 0.34 110.104 178.066 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 574' ' ' GLN . . . . . 0.477 ' HG2' ' O ' ' A' ' 570' ' ' GLN . 12.9 mm-40 -61.63 -37.32 83.55 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.846 0.355 . . . . 2.09 111.056 -179.257 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 575' ' ' TYR . . . . . . . . . . . . . 82.2 t80 -67.98 -51.7 44.28 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.005 -0.543 . . . . 0.48 110.167 -178.617 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 576' ' ' TYR . . . . . 0.553 ' CE2' HD12 ' A' ' 590' ' ' ILE . 58.6 m-85 -76.38 -13.88 60.11 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 112.603 0.594 . . . . 0.36 112.603 -176.636 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 577' ' ' GLN . . . . . 0.621 ' HG2' ' O ' ' A' ' 573' ' ' VAL . 17.4 mm-40 -64.33 -44.03 92.79 Favored 'General case' 0 C--N 1.332 -0.18 0 N-CA-C 109.268 -0.641 . . . . 1.89 109.268 171.024 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 578' ' ' GLU . . . . . . . . . . . . . 14.3 mm-40 -89.37 -38.69 13.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.453 -0.794 . . . . 2.14 111.614 -179.941 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 579' ' ' LYS . . . . . 0.528 ' O ' ' HA ' ' A' ' 576' ' ' TYR . 63.3 mttp -131.02 90.55 39.01 Favored Pre-proline 0 C--N 1.325 -0.498 0 N-CA-C 110.164 -0.31 . . . . 2.46 110.164 178.835 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 580' ' ' PRO . . . . . . . . . . . . . 38.9 Cg_endo -66.63 160.97 43.63 Favored 'Trans proline' 0 C--O 1.234 0.292 0 C-N-CA 122.735 2.29 . . . . 0.37 112.419 -178.634 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 581' ' ' ALA . . . . . 0.531 ' HB2' ' CE1' ' A' ' 576' ' ' TYR . . . -91.01 137.13 32.6 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.183 -0.462 . . . . 0.27 109.919 179.431 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 582' ' ' ILE . . . . . . . . . . . . . 34.9 mt -106.28 119.65 56.03 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 CA-C-O 120.909 0.385 . . . . 0.51 111.906 -173.714 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 583' ' ' ILE . . . . . 0.43 ' CG1' HD11 ' A' ' 588' ' ' LEU . 29.1 mm -124.69 112.37 31.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 115.717 -0.674 . . . . 0.51 109.547 172.112 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 584' ' ' ASN . . . . . . . . . . . . . 95.0 m-20 54.64 41.06 32.19 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 121.645 0.736 . . . . 1.1 110.545 -179.922 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 585' ' ' GLY . . . . . . . . . . . . . . . 81.85 2.02 90.42 Favored Glycine 0 N--CA 1.446 -0.66 0 CA-C-N 114.854 -1.066 . . . . 0.44 113.92 176.174 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 586' ' ' GLU . . . . . . . . . . . . . 51.3 mm-40 -99.74 126.27 45.77 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 117.481 0.641 . . . . 1.79 110.856 -179.665 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 587' ' ' LYS . . . . . . . . . . . . . 72.5 mmtt -75.26 110.24 9.44 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.321 -0.854 . . . . 1.67 110.223 175.544 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 588' ' ' LEU . . . . . 0.487 HD12 HD11 ' A' ' 540' ' ' LEU . 63.0 mt -81.5 137.03 35.63 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 121.028 0.442 . . . . 0.24 110.587 -179.013 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 589' ' ' LEU . . . . . . . . . . . . . 43.8 tp -112.7 112.08 23.34 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.709 -0.678 . . . . 0.38 110.709 -177.93 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 590' ' ' ILE . . . . . 0.553 HD12 ' CE2' ' A' ' 576' ' ' TYR . 15.8 mt -101.84 121.04 52.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 N-CA-C 110.094 -0.336 . . . . 0.26 110.094 176.769 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 591' ' ' ARG . . . . . 0.426 ' HA ' HG22 ' A' ' 573' ' ' VAL . 99.3 mtt180 -147.57 165.16 31.19 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.82 0.343 . . . . 2.62 110.667 -177.818 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 592' ' ' MET . . . . . . . . . . . . . 60.8 mtt -82.29 139.01 34.42 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.135 -0.484 . . . . 0.34 109.789 -179.956 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 593' ' ' SER . . . . . . . . . . . . . 38.3 m -85.02 139.78 31.51 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.32 0.581 . . . . 1.37 111.912 -176.54 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 594' ' ' THR . . . . . . . . . . . . . 18.4 p -91.66 -15.47 28.46 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 114.658 -1.155 . . . . 0.38 112.603 -175.54 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 595' ' ' ARG . . . . . . . . . . . . . 68.9 mtp180 -103.57 -28.03 11.98 Favored 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 120.551 -0.46 . . . . 2.75 112.138 -172.117 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 596' ' ' TYR . . . . . . . . . . . . . 50.8 m-85 -118.25 150.23 39.8 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.164 0.507 . . . . 0.65 111.576 -178.951 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 597' ' ' LYS . . . . . 0.441 ' C ' HG23 ' A' ' 521' ' ' VAL . 7.6 mtmm -107.64 -26.18 10.98 Favored 'General case' 0 C--O 1.219 -0.502 0 CA-C-N 115.369 -0.832 . . . . 2.18 111.305 -178.314 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 598' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -142.65 150.77 40.66 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.87 0.367 . . . . 0.95 110.695 -179.926 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 599' ' ' LEU . . . . . 0.833 HD21 HG13 ' A' ' 521' ' ' VAL . 63.4 mt -95.33 124.19 39.24 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.698 -0.683 . . . . 0.45 111.628 179.816 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 600' ' ' GLN . . . . . . . . . . . . . 20.6 tt0 -103.06 124.19 48.06 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 114.906 -1.043 . . . . 1.52 110.651 -179.827 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 601' ' ' LEU . . . . . 0.457 HD11 ' OD1' ' A' ' 549' ' ' ASN . 86.7 mt -82.49 94.88 7.55 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.587 -0.279 . . . . 0.46 111.028 178.428 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 602' ' ' LYS . . . . . . . . . . . . . 50.0 mtmt -79.36 -18.91 51.48 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 109.124 -0.695 . . . . 1.73 109.124 169.818 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 603' ' ' LYS . . . . . . . . . . . . . 34.9 mmtp . . . . . 0 C--N 1.325 -0.487 0 CA-C-N 115.02 -0.991 . . . . 1.69 108.608 174.254 . . . . . . . . 0 0 . 1 . 022 nuclear build core ' A' A ' 607' ' ' ASN . . . . . . . . . . . . . 42.1 t30 . . . . . 0 C--O 1.232 0.155 0 CA-C-O 121.025 0.441 . . . . 1.33 110.327 . . . . . . . . . 0 0 . 1 . 022 nuclear build core ' A' A ' 608' ' ' VAL . . . . . 0.554 HG11 ' HB ' ' A' ' 547' ' ' VAL . 57.7 t -85.0 -19.91 8.56 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.587 0 CA-C-N 115.846 -0.615 . . . . 0.3 110.551 -176.69 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 609' ' ' ALA . . . . . . . . . . . . . . . -61.69 -31.66 71.81 Favored 'General case' 0 C--O 1.24 0.556 0 CA-C-O 121.455 0.645 . . . . 0.44 110.999 175.523 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 610' ' ' ALA . . . . . . . . . . . . . . . -63.63 -30.01 71.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.685 -0.688 . . . . 0.4 109.816 176.603 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 611' ' ' ILE . . . . . 0.449 ' CD1' HD12 ' A' ' 538' ' ' ILE . 77.5 mt -70.67 -30.69 43.34 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.349 0 CA-C-N 115.325 -0.852 . . . . 0.25 109.851 178.8 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 612' ' ' ILE . . . . . 0.477 ' CG1' HD13 ' A' ' 542' ' ' LEU . 76.0 mt -59.76 -42.71 89.7 Favored 'Isoleucine or valine' 0 C--O 1.235 0.323 0 N-CA-C 109.715 -0.476 . . . . 0.31 109.715 173.558 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 613' ' ' GLN . . . . . 0.475 ' HA ' ' OE1' ' A' ' 613' ' ' GLN . 15.1 mm-40 -65.4 -31.01 71.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.703 -0.681 . . . . 2.31 110.824 176.433 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 614' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -67.71 -43.96 78.82 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.185 -0.461 . . . . 1.95 110.759 177.441 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 615' ' ' ILE . . . . . 0.568 ' CD1' ' HB2' ' A' ' 542' ' ' LEU . 87.1 mt -60.36 -48.92 86.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-O 121.082 0.467 . . . . 0.35 110.683 179.474 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 616' ' ' HIS . . . . . . . . . . . . . 10.6 m-70 -66.24 -26.74 67.5 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.827 -0.624 . . . . 1.26 111.324 179.903 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 617' ' ' SER . . . . . . . . . . . . . 36.7 t . . . . . 0 C--N 1.327 -0.37 0 CA-C-O 120.942 0.401 . . . . 1.18 110.447 176.468 . . . . . . . . 0 0 . 1 . 023 nuclear build core ' A' A ' 520' ' ' ARG . . . . . . . . . . . . . 37.8 mtm-85 . . . . . 0 N--CA 1.453 -0.289 0 CA-C-O 121.137 0.494 . . . . 2.22 111.068 . . . . . . . . . 0 0 . 1 . 023 nuclear build core ' A' A ' 521' ' ' VAL . . . . . 0.725 HG13 HD21 ' A' ' 599' ' ' LEU . 89.3 t -117.58 123.31 71.57 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-N 115.632 -0.713 . . . . 0.32 110.876 170.983 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 522' ' ' VAL . . . . . 0.548 ' HB ' ' O ' ' A' ' 561' ' ' LEU . 22.4 t -120.07 122.49 68.57 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.747 0 N-CA-C 107.81 -1.182 . . . . 0.22 107.81 175.228 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 523' ' ' HIS . . . . . . . . . . . . . 43.2 t-80 -105.45 133.33 50.38 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.21 0.528 . . . . 0.44 111.119 -171.791 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 524' ' ' ILE . . . . . 0.489 HG23 HG12 ' A' ' 590' ' ' ILE . 29.9 mt -113.62 141.91 27.97 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.762 0 CA-C-N 115.376 -0.829 . . . . 0.19 108.812 177.735 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 525' ' ' CYS . . . . . 0.546 ' SG ' ' HB3' ' A' ' 589' ' ' LEU . 1.8 p -141.66 164.03 31.31 Favored 'General case' 0 C--N 1.316 -0.874 0 C-N-CA 120.618 -0.433 . . . . 1.17 111.652 -178.47 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 526' ' ' ASN . . . . . 0.445 ' HB2' ' O ' ' A' ' 525' ' ' CYS . 86.7 m-20 88.39 28.95 0.03 OUTLIER 'General case' 0 N--CA 1.471 0.594 0 O-C-N 125.045 1.466 . . . . 0.26 110.552 177.253 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 527' ' ' LEU . . . . . . . . . . . . . 78.7 mt -90.46 124.64 62.2 Favored Pre-proline 0 C--N 1.322 -0.6 0 N-CA-C 108.771 -0.826 . . . . 0.25 108.771 176.553 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 528' ' ' PRO . . . . . . . . . . . . . 5.6 Cg_exo -71.28 133.54 23.01 Favored 'Trans proline' 0 N--CA 1.455 -0.762 0 C-N-CA 121.298 1.332 . . . . 0.38 111.174 -177.267 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 529' ' ' GLU . . . . . . . . . . . . . 45.4 tt0 -66.31 129.74 40.85 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 109.814 -0.439 . . . . 1.6 109.814 177.39 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 530' ' ' GLY . . . . . . . . . . . . . . . 92.01 2.58 68.83 Favored Glycine 0 N--CA 1.447 -0.572 0 N-CA-C 110.397 -1.081 . . . . 0.48 110.397 -171.765 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 531' ' ' SER . . . . . . . . . . . . . 16.1 m -143.36 8.46 1.59 Allowed 'General case' 0 N--CA 1.45 -0.439 0 CA-C-N 115.16 -0.52 . . . . 1.08 109.914 -177.905 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 532' ' ' CYS . . . . . . . . . . . . . 60.8 m -89.79 91.18 8.52 Favored 'General case' 0 CA--C 1.516 -0.345 0 N-CA-C 108.963 -0.754 . . . . 0.25 108.963 179.786 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 533' ' ' THR . . . . . 0.482 ' O ' HG23 ' A' ' 537' ' ' VAL . 68.4 p -101.01 148.73 24.7 Favored 'General case' 0 C--N 1.318 -0.777 0 C-N-CA 120.369 -0.532 . . . . 0.35 110.063 -178.018 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 534' ' ' GLU . . . . . 0.449 ' HA ' HD11 ' A' ' 552' ' ' LEU . 44.9 mt-10 -68.65 -36.04 78.05 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.845 -0.616 . . . . 1.64 110.386 -178.008 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 535' ' ' ASN . . . . . 0.443 ' OD1' HG23 ' A' ' 611' ' ' ILE . 60.7 t30 -64.99 -49.24 71.04 Favored 'General case' 0 C--O 1.216 -0.706 0 CA-C-N 114.987 -1.006 . . . . 1.82 111.206 -174.877 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 536' ' ' ASP . . . . . 0.401 ' HA ' ' OD1' ' A' ' 539' ' ' ASN . 2.9 m-20 -71.23 -39.81 71.46 Favored 'General case' 0 N--CA 1.47 0.556 0 CA-C-O 121.198 0.523 . . . . 0.61 111.59 -170.414 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 537' ' ' VAL . . . . . 0.482 HG23 ' O ' ' A' ' 533' ' ' THR . 49.2 t -59.12 -48.09 87.94 Favored 'Isoleucine or valine' 0 C--O 1.241 0.634 0 CA-C-N 115.294 -0.866 . . . . 0.15 109.531 178.064 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 538' ' ' ILE . . . . . 0.687 HD11 ' CG ' ' A' ' 550' ' ' TYR . 23.7 mt -68.76 -32.86 56.62 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 CA-C-N 115.378 -0.828 . . . . 0.23 111.804 175.241 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 539' ' ' ASN . . . . . 0.47 ' HA ' HD11 ' A' ' 615' ' ' ILE . 13.1 m120 -57.63 -27.83 63.14 Favored 'General case' 0 N--CA 1.466 0.369 0 N-CA-C 110.314 -0.254 . . . . 0.25 110.314 177.794 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 540' ' ' LEU . . . . . 0.431 HD11 HD12 ' A' ' 588' ' ' LEU . 94.5 mt -76.65 -42.39 42.15 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 120.926 0.393 . . . . 0.27 110.012 173.679 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 541' ' ' GLY . . . . . 0.51 ' HA2' ' SD ' ' A' ' 572' ' ' MET . . . -64.94 -52.64 40.02 Favored Glycine 0 CA--C 1.522 0.502 0 N-CA-C 115.475 0.95 . . . . 0.19 115.475 -178.678 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 542' ' ' LEU . . . . . 0.49 ' HB2' ' CD1' ' A' ' 615' ' ' ILE . 35.7 mt -56.37 -44.65 99.82 Favored Pre-proline 0 CA--C 1.54 0.576 0 N-CA-C 114.796 1.406 . . . . 0.2 114.796 -169.392 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 543' ' ' PRO . . . . . . . . . . . . . 35.6 Cg_exo -61.38 -27.03 82.24 Favored 'Trans proline' 0 C--N 1.348 0.542 0 C-N-CA 122.041 1.827 . . . . 0.23 113.689 -177.641 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 544' ' ' PHE . . . . . 0.46 ' HB2' ' HE2' ' A' ' 572' ' ' MET . 97.0 m-85 -98.4 -8.94 26.0 Favored 'General case' 0 C--N 1.33 -0.254 0 O-C-N 122.21 -0.306 . . . . 0.33 111.193 178.769 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 545' ' ' GLY . . . . . 0.471 ' O ' ' HA ' ' A' ' 542' ' ' LEU . . . 168.79 152.12 7.55 Favored Glycine 0 N--CA 1.448 -0.527 0 C-N-CA 120.819 -0.705 . . . . 0.44 111.945 -178.064 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 546' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -66.35 130.87 44.67 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-O 121.156 0.503 . . . . 2.07 111.618 -177.778 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 547' ' ' VAL . . . . . 0.623 HG21 HG23 ' A' ' 538' ' ' ILE . 80.2 t -90.42 116.74 32.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 115.562 -0.745 . . . . 0.2 110.684 177.674 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 548' ' ' THR . . . . . . . . . . . . . 21.2 p -94.94 -35.29 12.06 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.098 -0.501 . . . . 0.31 111.923 177.392 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 549' ' ' ASN . . . . . 0.46 ' HB2' ' HB3' ' A' ' 562' ' ' GLU . 34.8 m-80 -144.4 157.95 43.99 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.852 0.358 . . . . 1.26 110.965 -179.782 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 550' ' ' TYR . . . . . 0.687 ' CG ' HD11 ' A' ' 538' ' ' ILE . 3.3 p90 -162.04 152.7 17.46 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.864 -0.607 . . . . 0.31 109.707 -178.092 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 551' ' ' ILE . . . . . 0.51 ' HB ' ' HB2' ' A' ' 560' ' ' PHE . 64.8 mt -143.64 129.73 16.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 N-CA-C 108.621 -0.881 . . . . 0.22 108.621 -178.299 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 552' ' ' LEU . . . . . 0.449 HD11 ' HA ' ' A' ' 534' ' ' GLU . 22.9 mt -107.13 118.75 37.53 Favored 'General case' 0 C--N 1.315 -0.896 0 C-N-CA 120.475 -0.49 . . . . 0.43 110.317 179.904 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 553' ' ' MET . . . . . . . . . . . . . 63.8 mtm -108.87 82.29 1.58 Allowed 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 122.029 0.919 . . . . 1.03 109.193 -179.01 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 554' ' ' LYS . . . . . . . . . . . . . 12.0 mmtp -52.96 -27.84 20.86 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 113.828 -1.533 . . . . 1.03 112.622 176.375 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 555' ' ' SER . . . . . . . . . . . . . 63.9 p -69.21 -46.0 68.48 Favored 'General case' 0 N--CA 1.448 -0.554 0 CA-C-O 120.84 0.352 . . . . 0.51 111.259 -173.888 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 556' ' ' THR . . . . . . . . . . . . . 44.8 p -99.68 8.32 44.44 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 112.425 0.528 . . . . 0.45 112.425 -175.647 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 557' ' ' ASN . . . . . . . . . . . . . 4.7 m-20 59.8 39.91 20.12 Favored 'General case' 0 N--CA 1.468 0.44 0 CA-C-O 121.863 0.839 . . . . 1.28 110.11 -178.085 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 558' ' ' GLN . . . . . . . . . . . . . 99.1 mt-30 -142.02 168.05 20.67 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.024 -0.989 . . . . 0.84 110.363 -174.274 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 559' ' ' ALA . . . . . . . . . . . . . . . -157.65 165.99 34.02 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.151 0.5 . . . . 0.16 111.412 -179.376 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 560' ' ' PHE . . . . . 0.51 ' HB2' ' HB ' ' A' ' 551' ' ' ILE . 79.5 m-85 -119.56 149.47 41.87 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.825 -0.625 . . . . 0.35 110.663 177.955 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 561' ' ' LEU . . . . . 0.548 ' O ' ' HB ' ' A' ' 522' ' ' VAL . 54.1 tp -141.08 119.1 11.9 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.782 -0.645 . . . . 0.2 110.261 -179.759 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 562' ' ' GLU . . . . . 0.538 ' HB2' HD12 ' A' ' 599' ' ' LEU . 32.0 tt0 -100.38 123.33 44.46 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.474 0.654 . . . . 2.09 110.158 176.667 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 563' ' ' MET . . . . . 0.786 ' SD ' ' HA ' ' A' ' 569' ' ' ALA . 22.5 mtt -107.21 148.57 28.75 Favored 'General case' 0 C--N 1.315 -0.921 0 CA-C-N 114.84 -1.073 . . . . 0.39 108.775 -178.659 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 564' ' ' ALA . . . . . . . . . . . . . . . -59.99 -26.13 65.8 Favored 'General case' 0 N--CA 1.463 0.195 0 N-CA-C 112.966 0.728 . . . . 0.5 112.966 -168.307 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 565' ' ' TYR . . . . . . . . . . . . . 84.8 m-85 -143.19 160.92 39.55 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 110.401 -0.222 . . . . 1.15 110.401 179.19 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 566' ' ' THR . . . . . . . . . . . . . 7.4 t -68.11 -27.07 66.15 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.43 -0.35 . . . . 0.57 110.251 -179.465 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 567' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -59.38 -33.07 70.74 Favored 'General case' 0 C--N 1.334 -0.106 0 CA-C-N 115.846 -0.616 . . . . 0.89 110.825 178.07 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 568' ' ' ALA . . . . . 0.673 ' O ' ' HG3' ' A' ' 572' ' ' MET . . . -73.76 -41.7 62.1 Favored 'General case' 0 N--CA 1.449 -0.478 0 CA-C-N 115.893 -0.594 . . . . 0.26 109.788 179.963 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 569' ' ' ALA . . . . . 0.786 ' HA ' ' SD ' ' A' ' 563' ' ' MET . . . -63.53 -45.78 89.01 Favored 'General case' 0 CA--C 1.518 -0.286 0 CA-C-N 115.619 -0.719 . . . . 0.24 111.493 -176.299 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 570' ' ' GLN . . . . . . . . . . . . . 18.6 pt20 -68.34 -36.85 79.87 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.141 -0.481 . . . . 1.24 110.695 -178.276 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 571' ' ' ALA . . . . . . . . . . . . . . . -64.05 -43.2 96.26 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.24 -0.436 . . . . 0.31 111.15 -178.949 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 572' ' ' MET . . . . . 0.673 ' HG3' ' O ' ' A' ' 568' ' ' ALA . 23.5 mtt -70.39 -43.32 70.32 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.479 -0.328 . . . . 0.47 111.097 -179.493 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 573' ' ' VAL . . . . . 0.534 HG23 ' O ' ' A' ' 569' ' ' ALA . 77.8 t -60.05 -47.76 90.59 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.169 0 CA-C-O 120.846 0.355 . . . . 0.34 110.53 -179.341 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 574' ' ' GLN . . . . . . . . . . . . . 78.3 mm-40 -64.59 -35.55 81.37 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.267 -0.424 . . . . 2.09 110.715 179.31 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 575' ' ' TYR . . . . . . . . . . . . . 70.8 t80 -67.82 -52.02 41.83 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.192 -0.458 . . . . 0.48 110.794 -179.011 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 576' ' ' TYR . . . . . 0.607 ' CE1' ' HB2' ' A' ' 581' ' ' ALA . 57.7 m-85 -76.83 -14.22 59.92 Favored 'General case' 0 N--CA 1.466 0.342 0 N-CA-C 113.41 0.893 . . . . 0.36 113.41 -175.833 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 577' ' ' GLN . . . . . 0.444 ' HG3' ' O ' ' A' ' 573' ' ' VAL . 86.6 mt-30 -72.73 -38.12 67.54 Favored 'General case' 0 C--N 1.319 -0.726 0 C-N-CA 119.793 -0.763 . . . . 1.89 109.744 172.341 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 578' ' ' GLU . . . . . . . . . . . . . 11.3 mm-40 -86.71 -38.18 17.22 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.944 -0.571 . . . . 2.14 110.943 177.424 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 579' ' ' LYS . . . . . 0.525 ' O ' ' HA ' ' A' ' 576' ' ' TYR . 96.1 mttt -132.83 89.73 34.07 Favored Pre-proline 0 C--N 1.327 -0.377 0 N-CA-C 109.99 -0.374 . . . . 2.46 109.99 177.693 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 580' ' ' PRO . . . . . . . . . . . . . 37.6 Cg_endo -66.0 159.28 49.99 Favored 'Trans proline' 0 C--O 1.234 0.315 0 C-N-CA 122.507 2.138 . . . . 0.37 112.681 -176.601 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 581' ' ' ALA . . . . . 0.607 ' HB2' ' CE1' ' A' ' 576' ' ' TYR . . . -91.82 136.04 33.45 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.017 -0.538 . . . . 0.27 110.124 179.398 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 582' ' ' ILE . . . . . . . . . . . . . 54.2 mt -99.36 120.75 49.14 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.681 0 CA-C-O 120.835 0.35 . . . . 0.51 111.841 -175.258 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 583' ' ' ILE . . . . . 0.459 HG13 HD11 ' A' ' 588' ' ' LEU . 28.6 mm -125.15 111.26 27.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-N 116.02 -0.536 . . . . 0.51 109.931 171.429 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 584' ' ' ASN . . . . . . . . . . . . . 3.5 m-20 56.83 36.05 27.16 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.448 0.642 . . . . 1.1 110.889 176.076 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 585' ' ' GLY . . . . . . . . . . . . . . . 86.09 0.03 87.29 Favored Glycine 0 N--CA 1.448 -0.529 0 CA-C-N 115.231 -0.895 . . . . 0.44 113.589 179.989 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 586' ' ' GLU . . . . . . . . . . . . . 51.0 mm-40 -100.94 126.16 47.57 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 117.256 0.528 . . . . 1.79 110.984 179.926 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 587' ' ' LYS . . . . . . . . . . . . . 46.9 mmtm -77.32 111.21 12.74 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.578 -0.737 . . . . 1.67 110.719 175.115 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 588' ' ' LEU . . . . . 0.459 HD11 HG13 ' A' ' 583' ' ' ILE . 31.1 mt -75.71 141.54 42.65 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.154 0.502 . . . . 0.24 111.169 -178.261 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 589' ' ' LEU . . . . . 0.546 ' HB3' ' SG ' ' A' ' 525' ' ' CYS . 60.4 tp -112.4 111.55 22.48 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.413 -0.812 . . . . 0.38 110.009 176.049 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 590' ' ' ILE . . . . . 0.525 HD12 ' CD2' ' A' ' 576' ' ' TYR . 17.1 mt -103.28 118.98 51.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 N-CA-C 109.66 -0.496 . . . . 0.26 109.66 175.659 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 591' ' ' ARG . . . . . . . . . . . . . 50.9 mtp180 -144.23 165.99 26.31 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.424 -0.353 . . . . 2.62 110.543 -177.345 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 592' ' ' MET . . . . . . . . . . . . . 56.2 mtt -81.06 140.89 34.84 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.36 -0.382 . . . . 0.34 110.25 -179.28 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 593' ' ' SER . . . . . . . . . . . . . 40.5 t -84.58 132.77 34.47 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.517 0.675 . . . . 1.37 111.41 -176.018 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 594' ' ' THR . . . . . . . . . . . . . 19.5 p -90.88 -12.76 35.21 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-N 114.279 -1.328 . . . . 0.38 111.252 178.293 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 595' ' ' ARG . . . . . . . . . . . . . 60.2 mtp180 -101.22 -29.58 12.02 Favored 'General case' 0 C--N 1.332 -0.169 0 N-CA-C 112.839 0.681 . . . . 2.75 112.839 -170.662 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 596' ' ' TYR . . . . . 0.434 ' C ' ' HD2' ' A' ' 597' ' ' LYS . 70.0 m-85 -123.79 151.81 42.92 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.218 0.532 . . . . 0.65 112.248 -176.204 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 597' ' ' LYS . . . . . 0.579 ' N ' ' HD2' ' A' ' 597' ' ' LYS . 0.1 OUTLIER -109.26 -22.03 12.27 Favored 'General case' 0 C--O 1.223 -0.291 0 CA-C-N 115.137 -0.938 . . . . 2.18 111.679 -177.698 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 598' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -147.13 150.51 35.12 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.013 0.435 . . . . 0.95 111.195 179.749 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 599' ' ' LEU . . . . . 0.725 HD21 HG13 ' A' ' 521' ' ' VAL . 70.6 mt -104.23 127.41 51.85 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.52 -0.764 . . . . 0.45 111.436 177.674 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 600' ' ' GLN . . . . . . . . . . . . . 24.6 tt0 -113.76 133.53 55.32 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.119 -0.946 . . . . 1.52 110.143 179.123 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 601' ' ' LEU . . . . . . . . . . . . . 53.1 mt -88.46 96.23 10.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.095 0.474 . . . . 0.46 111.464 -178.951 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 602' ' ' LYS . . . . . . . . . . . . . 14.2 mmmm -80.93 -10.95 59.66 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.999 -0.546 . . . . 1.73 110.376 174.717 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 603' ' ' LYS . . . . . . . . . . . . . 30.5 mmtp . . . . . 0 C--N 1.326 -0.455 0 CA-C-N 115.613 -0.721 . . . . 1.69 109.71 -179.203 . . . . . . . . 0 0 . 1 . 023 nuclear build core ' A' A ' 607' ' ' ASN . . . . . . . . . . . . . 27.6 t30 . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.94 0.4 . . . . 1.33 110.707 . . . . . . . . . 0 0 . 1 . 023 nuclear build core ' A' A ' 608' ' ' VAL . . . . . 0.514 HG11 ' HB ' ' A' ' 547' ' ' VAL . 60.8 t -72.91 -22.91 20.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-N 115.815 -0.63 . . . . 0.3 111.079 -175.777 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 609' ' ' ALA . . . . . . . . . . . . . . . -65.9 -36.09 82.43 Favored 'General case' 0 C--O 1.239 0.545 0 CA-C-O 121.39 0.614 . . . . 0.44 110.466 176.031 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 610' ' ' ALA . . . . . . . . . . . . . . . -64.21 -29.68 70.77 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.7 -0.682 . . . . 0.4 109.926 176.258 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 611' ' ' ILE . . . . . 0.53 ' CD1' HD12 ' A' ' 538' ' ' ILE . 64.7 mt -69.22 -32.9 55.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-N 115.481 -0.781 . . . . 0.25 109.874 179.663 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 612' ' ' ILE . . . . . 0.46 HG12 HD13 ' A' ' 542' ' ' LEU . 61.9 mt -60.23 -42.19 89.5 Favored 'Isoleucine or valine' 0 C--O 1.232 0.179 0 CA-C-O 121.234 0.54 . . . . 0.31 109.6 173.528 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 613' ' ' GLN . . . . . . . . . . . . . 82.7 mt-30 -62.63 -38.65 91.05 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.577 -0.738 . . . . 2.31 109.857 177.629 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 614' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -65.37 -42.57 92.58 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 114.829 -1.078 . . . . 1.95 110.851 179.591 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 615' ' ' ILE . . . . . 0.49 ' CD1' ' HB2' ' A' ' 542' ' ' LEU . 82.7 mt -60.46 -41.6 88.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.462 -0.336 . . . . 0.35 110.829 178.492 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 616' ' ' HIS . . . . . . . . . . . . . 54.0 m80 -65.33 -28.38 69.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.453 -0.339 . . . . 1.26 110.96 179.211 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 617' ' ' SER . . . . . . . . . . . . . 20.0 m . . . . . 0 C--N 1.328 -0.341 0 CA-C-O 121.084 0.468 . . . . 1.18 110.477 174.929 . . . . . . . . 0 0 . 1 . 024 nuclear build core ' A' A ' 520' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.449 -0.513 0 CA-C-O 121.184 0.516 . . . . 2.22 110.233 . . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 521' ' ' VAL . . . . . 0.661 ' HB ' ' OG ' ' A' ' 593' ' ' SER . 57.4 t -117.53 124.32 72.9 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.01 0 CA-C-N 115.736 -0.666 . . . . 0.32 109.939 168.77 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 522' ' ' VAL . . . . . 0.437 HG11 ' CE ' ' A' ' 563' ' ' MET . 25.4 t -119.79 122.92 69.9 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.04 0 N-CA-C 106.922 -1.51 . . . . 0.22 106.922 174.302 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 523' ' ' HIS . . . . . . . . . . . . . 25.0 t60 -103.85 133.4 48.89 Favored 'General case' 0 C--N 1.318 -0.787 0 O-C-N 121.722 -0.611 . . . . 0.44 110.417 -169.687 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 524' ' ' ILE . . . . . 0.509 HD11 HD22 ' A' ' 561' ' ' LEU . 29.5 mt -111.07 136.54 46.81 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.834 0 CA-C-N 115.297 -0.865 . . . . 0.19 109.101 -179.328 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 525' ' ' CYS . . . . . 0.436 ' O ' ' HB2' ' A' ' 526' ' ' ASN . 42.4 t -133.71 160.28 38.02 Favored 'General case' 0 C--N 1.315 -0.913 0 C-N-CA 121.13 -0.228 . . . . 1.17 110.797 -175.06 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 526' ' ' ASN . . . . . 0.48 ' HB2' ' HA ' ' A' ' 588' ' ' LEU . 77.2 m-20 86.9 28.83 0.04 OUTLIER 'General case' 0 N--CA 1.469 0.49 0 O-C-N 124.674 1.234 . . . . 0.26 110.674 173.506 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 527' ' ' LEU . . . . . 0.468 ' HB3' ' SG ' ' A' ' 532' ' ' CYS . 82.1 mt -84.98 124.85 71.91 Favored Pre-proline 0 C--N 1.325 -0.489 0 N-CA-C 109.296 -0.631 . . . . 0.25 109.296 178.118 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 528' ' ' PRO . . . . . 0.424 ' HD3' ' HA ' ' A' ' 527' ' ' LEU . 12.2 Cg_exo -68.8 134.57 30.43 Favored 'Trans proline' 0 N--CA 1.461 -0.407 0 C-N-CA 121.861 1.707 . . . . 0.38 111.786 -178.692 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 529' ' ' GLU . . . . . . . . . . . . . 28.1 tt0 -65.79 136.4 56.15 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 109.454 -0.573 . . . . 1.6 109.454 178.602 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 530' ' ' GLY . . . . . . . . . . . . . . . 86.83 4.39 82.43 Favored Glycine 0 N--CA 1.446 -0.635 0 C-N-CA 120.006 -1.093 . . . . 0.48 111.501 -175.441 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 531' ' ' SER . . . . . . . . . . . . . 63.1 m -150.08 14.29 0.8 Allowed 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.262 0.553 . . . . 1.08 110.265 -176.913 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 532' ' ' CYS . . . . . 0.554 ' HB2' ' HD2' ' A' ' 554' ' ' LYS . 76.3 m -89.7 84.22 6.29 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 108.964 -0.754 . . . . 0.25 108.964 177.631 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 533' ' ' THR . . . . . 0.623 ' O ' HG23 ' A' ' 537' ' ' VAL . 74.5 p -99.39 148.31 24.34 Favored 'General case' 0 N--CA 1.444 -0.732 0 C-N-CA 119.869 -0.732 . . . . 0.35 109.266 -178.618 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 534' ' ' GLU . . . . . 0.585 ' HA ' HD11 ' A' ' 552' ' ' LEU . 36.9 mt-10 -67.67 -34.76 77.57 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-O 121.642 0.734 . . . . 1.64 109.42 -179.553 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 535' ' ' ASN . . . . . . . . . . . . . 10.2 t30 -61.87 -48.54 80.04 Favored 'General case' 0 N--CA 1.443 -0.791 0 CA-C-N 114.205 -1.361 . . . . 1.82 110.981 -176.678 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 536' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -71.05 -40.88 71.4 Favored 'General case' 0 N--CA 1.473 0.676 0 CA-C-O 121.146 0.498 . . . . 0.61 111.29 -176.091 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 537' ' ' VAL . . . . . 0.623 HG23 ' O ' ' A' ' 533' ' ' THR . 48.2 t -59.52 -48.14 88.36 Favored 'Isoleucine or valine' 0 C--O 1.242 0.66 0 CA-C-O 122.118 0.961 . . . . 0.15 109.701 179.158 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 538' ' ' ILE . . . . . 0.731 HG23 HG21 ' A' ' 547' ' ' VAL . 40.5 mt -68.68 -32.59 55.63 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.719 0 CA-C-N 115.246 -0.888 . . . . 0.23 111.671 175.197 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 539' ' ' ASN . . . . . 0.454 ' HA ' HD11 ' A' ' 615' ' ' ILE . 11.3 m120 -57.49 -26.79 61.81 Favored 'General case' 0 N--CA 1.469 0.498 0 N-CA-C 110.077 -0.342 . . . . 0.25 110.077 176.113 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 540' ' ' LEU . . . . . 0.553 ' HB3' ' OH ' ' A' ' 576' ' ' TYR . 87.9 mt -75.97 -43.07 46.33 Favored 'General case' 0 N--CA 1.448 -0.549 0 N-CA-C 109.82 -0.437 . . . . 0.27 109.82 174.269 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 541' ' ' GLY . . . . . 0.478 ' HA2' ' SD ' ' A' ' 572' ' ' MET . . . -65.69 -51.48 46.74 Favored Glycine 0 CA--C 1.526 0.725 0 N-CA-C 115.322 0.889 . . . . 0.19 115.322 -179.119 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 542' ' ' LEU . . . . . 0.48 ' HA ' ' O ' ' A' ' 545' ' ' GLY . 56.3 mt -57.12 -46.5 99.85 Favored Pre-proline 0 C--N 1.322 -0.616 0 N-CA-C 114.906 1.447 . . . . 0.2 114.906 -168.286 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 543' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -58.92 -26.67 82.02 Favored 'Trans proline' 0 C--N 1.349 0.562 0 C-N-CA 122.042 1.828 . . . . 0.23 113.514 -176.792 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 544' ' ' PHE . . . . . 0.502 ' HB2' ' HE2' ' A' ' 572' ' ' MET . 76.7 m-85 -98.01 -16.35 19.68 Favored 'General case' 0 C--N 1.33 -0.27 0 C-N-CA 120.69 -0.404 . . . . 0.33 110.826 178.939 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 545' ' ' GLY . . . . . 0.48 ' O ' ' HA ' ' A' ' 542' ' ' LEU . . . 173.59 161.26 23.47 Favored Glycine 0 C--O 1.226 -0.344 0 C-N-CA 120.763 -0.732 . . . . 0.44 112.281 178.62 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 546' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -67.78 133.59 49.51 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.112 0.482 . . . . 2.07 111.325 -177.181 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 547' ' ' VAL . . . . . 0.731 HG21 HG23 ' A' ' 538' ' ' ILE . 73.0 t -87.95 116.09 29.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 CA-C-N 115.41 -0.814 . . . . 0.2 110.347 175.379 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 548' ' ' THR . . . . . . . . . . . . . 22.8 p -91.49 -35.5 14.28 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.327 -0.397 . . . . 0.31 111.632 179.23 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 549' ' ' ASN . . . . . . . . . . . . . 83.0 m-20 -143.97 152.9 41.68 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.916 0.389 . . . . 1.26 111.16 178.419 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 550' ' ' TYR . . . . . 0.708 ' CG ' HD11 ' A' ' 538' ' ' ILE . 1.6 p90 -151.41 149.94 29.87 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.638 -0.71 . . . . 0.31 109.843 176.901 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 551' ' ' ILE . . . . . 0.491 ' HB ' ' HB2' ' A' ' 560' ' ' PHE . 52.6 mt -146.37 124.0 4.09 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.51 0 N-CA-C 107.977 -1.12 . . . . 0.22 107.977 -178.98 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 552' ' ' LEU . . . . . 0.585 HD11 ' HA ' ' A' ' 534' ' ' GLU . 34.9 mt -108.19 126.78 53.19 Favored 'General case' 0 C--N 1.31 -1.141 0 C-N-CA 119.472 -0.891 . . . . 0.43 110.479 -179.76 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 553' ' ' MET . . . . . . . . . . . . . 71.0 mtm -108.94 82.03 1.54 Allowed 'General case' 0 C--N 1.32 -0.708 0 N-CA-C 108.211 -1.033 . . . . 1.03 108.211 176.924 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 554' ' ' LYS . . . . . 0.554 ' HD2' ' HB2' ' A' ' 532' ' ' CYS . 15.2 mmtm -53.32 -29.63 34.77 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 114.623 -1.171 . . . . 1.03 112.682 177.802 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 555' ' ' SER . . . . . . . . . . . . . 62.6 p -69.99 -42.19 73.41 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 120.678 0.275 . . . . 0.51 111.619 -175.029 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 556' ' ' THR . . . . . . . . . . . . . 43.4 p -98.38 4.8 48.54 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 112.199 0.444 . . . . 0.45 112.199 -175.517 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 557' ' ' ASN . . . . . . . . . . . . . 20.3 m120 59.55 39.28 21.75 Favored 'General case' 0 C--O 1.238 0.462 0 CA-C-O 121.314 0.578 . . . . 1.28 110.581 -177.718 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 558' ' ' GLN . . . . . . . . . . . . . 80.3 mt-30 -140.08 166.29 25.06 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.573 -0.74 . . . . 0.84 110.247 -176.147 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 559' ' ' ALA . . . . . 0.402 ' HB1' HD23 ' A' ' 552' ' ' LEU . . . -157.31 165.41 35.91 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 121.421 0.629 . . . . 0.16 112.303 -179.102 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 560' ' ' PHE . . . . . 0.491 ' HB2' ' HB ' ' A' ' 551' ' ' ILE . 95.4 m-85 -120.28 141.29 50.12 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.021 -0.99 . . . . 0.35 110.052 178.527 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 561' ' ' LEU . . . . . 0.509 HD22 HD11 ' A' ' 524' ' ' ILE . 64.4 tp -138.34 119.65 14.73 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.911 -0.586 . . . . 0.2 110.033 -179.706 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 562' ' ' GLU . . . . . 0.424 ' HB2' HD12 ' A' ' 599' ' ' LEU . 43.6 tt0 -100.46 130.86 46.6 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 121.603 0.716 . . . . 2.09 110.596 173.986 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 563' ' ' MET . . . . . 0.752 ' SD ' ' HA ' ' A' ' 569' ' ' ALA . 30.7 mtt -110.94 144.94 39.22 Favored 'General case' 0 C--N 1.314 -0.961 0 CA-C-N 114.419 -1.264 . . . . 0.39 108.452 -179.584 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 564' ' ' ALA . . . . . . . . . . . . . . . -58.8 -28.66 66.2 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 112.97 0.73 . . . . 0.5 112.97 -166.492 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 565' ' ' TYR . . . . . 0.413 ' CB ' ' HG2' ' A' ' 567' ' ' GLU . 91.9 m-85 -138.84 161.74 36.51 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.811 0.339 . . . . 1.15 110.388 179.685 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 566' ' ' THR . . . . . . . . . . . . . 10.1 t -67.43 -28.23 67.72 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.035 -0.53 . . . . 0.57 110.248 179.096 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 567' ' ' GLU . . . . . 0.472 ' HA ' ' OE1' ' A' ' 570' ' ' GLN . 8.2 pt-20 -58.64 -33.22 69.82 Favored 'General case' 0 C--O 1.231 0.088 0 CA-C-N 115.783 -0.644 . . . . 0.89 111.039 177.542 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 568' ' ' ALA . . . . . 0.656 ' O ' ' HG3' ' A' ' 572' ' ' MET . . . -74.21 -43.64 56.35 Favored 'General case' 0 N--CA 1.449 -0.511 0 CA-C-N 116.08 -0.509 . . . . 0.26 110.013 -178.665 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 569' ' ' ALA . . . . . 0.752 ' HA ' ' SD ' ' A' ' 563' ' ' MET . . . -63.26 -45.28 92.25 Favored 'General case' 0 N--CA 1.454 -0.234 0 CA-C-N 115.759 -0.655 . . . . 0.24 111.324 -176.224 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 570' ' ' GLN . . . . . 0.472 ' OE1' ' HA ' ' A' ' 567' ' ' GLU . 4.9 pt20 -67.32 -36.09 80.76 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.066 -0.515 . . . . 1.24 110.882 -179.052 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 571' ' ' ALA . . . . . . . . . . . . . . . -66.68 -45.56 78.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.393 -0.367 . . . . 0.31 111.222 -178.952 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 572' ' ' MET . . . . . 0.656 ' HG3' ' O ' ' A' ' 568' ' ' ALA . 20.9 mtt -68.53 -43.53 76.52 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.514 -0.312 . . . . 0.47 111.034 -176.621 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 573' ' ' VAL . . . . . 0.692 ' O ' ' HG2' ' A' ' 577' ' ' GLN . 70.4 t -59.08 -46.66 91.73 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.152 0 N-CA-C 110.261 -0.274 . . . . 0.34 110.261 179.342 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 574' ' ' GLN . . . . . . . . . . . . . 15.6 mm100 -61.56 -36.85 81.81 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.004 -0.544 . . . . 2.09 111.008 178.361 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 575' ' ' TYR . . . . . 0.487 ' CE2' ' HE3' ' A' ' 579' ' ' LYS . 70.6 t80 -64.6 -51.97 59.95 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.879 -0.6 . . . . 0.48 110.649 -179.326 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 576' ' ' TYR . . . . . 0.729 ' CE2' HD12 ' A' ' 590' ' ' ILE . 68.1 m-85 -72.64 -14.13 61.52 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 112.751 0.648 . . . . 0.36 112.751 -176.771 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 577' ' ' GLN . . . . . 0.692 ' HG2' ' O ' ' A' ' 573' ' ' VAL . 84.4 mm-40 -67.89 -42.43 81.23 Favored 'General case' 0 C--N 1.326 -0.425 0 C-N-CA 120.469 -0.492 . . . . 1.89 109.908 173.066 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 578' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -90.47 -38.65 13.11 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.153 -0.476 . . . . 2.14 111.505 178.907 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 579' ' ' LYS . . . . . 0.523 ' O ' ' HA ' ' A' ' 576' ' ' TYR . 52.2 mtmt -132.21 93.98 24.77 Favored Pre-proline 0 C--N 1.327 -0.403 0 N-CA-C 110.043 -0.355 . . . . 2.46 110.043 176.762 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 580' ' ' PRO . . . . . . . . . . . . . 57.3 Cg_endo -71.4 161.13 46.56 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.857 2.371 . . . . 0.37 112.242 -178.937 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 581' ' ' ALA . . . . . 0.603 ' HB2' ' CE1' ' A' ' 576' ' ' TYR . . . -90.53 128.94 36.71 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 109.722 -0.473 . . . . 0.27 109.722 178.872 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 582' ' ' ILE . . . . . . . . . . . . . 53.5 mt -103.08 119.58 51.71 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.8 0 CA-C-O 121.018 0.437 . . . . 0.51 111.094 -175.341 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 583' ' ' ILE . . . . . 0.419 HG13 HD11 ' A' ' 588' ' ' LEU . 32.0 mm -124.38 117.8 51.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 N-CA-C 109.27 -0.641 . . . . 0.51 109.27 176.669 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 584' ' ' ASN . . . . . . . . . . . . . 3.5 m-20 59.97 33.42 21.42 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-O 121.326 0.584 . . . . 1.1 110.278 -179.469 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 585' ' ' GLY . . . . . . . . . . . . . . . 79.17 3.88 88.61 Favored Glycine 0 N--CA 1.447 -0.598 0 CA-C-N 115.511 -0.768 . . . . 0.44 113.161 179.288 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 586' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -109.8 127.56 54.74 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.066 0.46 . . . . 1.79 110.806 -179.855 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 587' ' ' LYS . . . . . . . . . . . . . 53.4 mttp -75.72 124.89 28.02 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.519 -0.764 . . . . 1.67 111.412 -178.432 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 588' ' ' LEU . . . . . 0.511 HD12 HD11 ' A' ' 540' ' ' LEU . 60.0 mt -83.21 140.46 32.54 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.83 -0.623 . . . . 0.24 110.978 179.702 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 589' ' ' LEU . . . . . . . . . . . . . 55.9 tp -112.41 111.16 21.8 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.814 -0.63 . . . . 0.38 109.991 179.005 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 590' ' ' ILE . . . . . 0.729 HD12 ' CE2' ' A' ' 576' ' ' TYR . 16.3 mt -102.51 128.23 55.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-O 120.75 0.309 . . . . 0.26 110.24 176.657 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 591' ' ' ARG . . . . . . . . . . . . . 19.7 mtp180 -145.84 164.14 32.85 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.94 -0.573 . . . . 2.62 109.939 -176.055 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 592' ' ' MET . . . . . . . . . . . . . 60.8 mtt -82.28 148.77 28.17 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 120.949 0.404 . . . . 0.34 110.586 179.481 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 593' ' ' SER . . . . . 0.661 ' OG ' ' HB ' ' A' ' 521' ' ' VAL . 76.1 p -82.66 132.62 35.18 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.964 -0.562 . . . . 1.37 111.359 -175.016 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 594' ' ' THR . . . . . . . . . . . . . 18.9 p -90.99 -21.97 21.03 Favored 'General case' 0 C--N 1.315 -0.9 0 CA-C-N 115.548 -0.751 . . . . 0.38 111.46 176.194 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 595' ' ' ARG . . . . . . . . . . . . . 94.1 mtt180 -103.99 -31.32 9.78 Favored 'General case' 0 CA--C 1.534 0.331 0 N-CA-C 113.525 0.935 . . . . 2.75 113.525 -167.718 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 596' ' ' TYR . . . . . . . . . . . . . 67.6 m-85 -124.41 142.47 51.28 Favored 'General case' 0 N--CA 1.467 0.384 0 O-C-N 121.997 -0.439 . . . . 0.65 111.827 -176.774 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 597' ' ' LYS . . . . . 0.449 ' N ' ' HD2' ' A' ' 597' ' ' LYS . 8.5 mptt -109.15 -7.43 15.31 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.817 -0.628 . . . . 2.18 112.37 179.738 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 598' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -143.8 150.51 38.64 Favored 'General case' 0 C--N 1.328 -0.368 0 C-N-CA 120.414 -0.514 . . . . 0.95 110.735 -178.19 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 599' ' ' LEU . . . . . 0.554 HD21 HG13 ' A' ' 521' ' ' VAL . 33.5 mt -108.11 121.49 44.94 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.557 -0.747 . . . . 0.45 111.172 176.649 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 600' ' ' GLN . . . . . . . . . . . . . 28.6 tt0 -106.51 126.9 52.84 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.21 -0.905 . . . . 1.52 109.746 178.714 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 601' ' ' LEU . . . . . . . . . . . . . 94.1 mt -91.23 89.12 7.18 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.149 0.5 . . . . 0.46 111.226 -176.019 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 602' ' ' LYS . . . . . . . . . . . . . 45.2 mtpt -79.04 -19.01 52.5 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.256 0.551 . . . . 1.73 110.088 177.176 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 603' ' ' LYS . . . . . . . . . . . . . 34.3 mmtp . . . . . 0 C--N 1.324 -0.535 0 CA-C-N 115.733 -0.667 . . . . 1.69 109.983 179.629 . . . . . . . . 0 0 . 1 . 024 nuclear build core ' A' A ' 607' ' ' ASN . . . . . . . . . . . . . 40.2 t-20 . . . . . 0 CA--C 1.518 -0.276 0 CA-C-O 121.18 0.514 . . . . 1.33 109.957 . . . . . . . . . 0 0 . 1 . 024 nuclear build core ' A' A ' 608' ' ' VAL . . . . . 0.555 HG11 ' HB ' ' A' ' 547' ' ' VAL . 97.9 t -127.03 -5.44 4.58 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.815 0 CA-C-O 121.962 0.887 . . . . 0.3 108.834 174.781 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 609' ' ' ALA . . . . . . . . . . . . . . . -70.04 -44.12 69.86 Favored 'General case' 0 C--O 1.236 0.358 0 CA-C-N 115.089 -0.96 . . . . 0.44 110.446 178.106 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 610' ' ' ALA . . . . . . . . . . . . . . . -61.11 -29.7 69.92 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.166 -0.925 . . . . 0.4 110.55 -179.317 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 611' ' ' ILE . . . . . 0.574 ' CD1' HD12 ' A' ' 538' ' ' ILE . 72.4 mt -71.41 -34.29 52.94 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.501 0 CA-C-N 115.576 -0.738 . . . . 0.25 109.927 -178.624 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 612' ' ' ILE . . . . . 0.442 HG12 HD13 ' A' ' 542' ' ' LEU . 65.7 mt -60.68 -43.21 94.46 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.174 0 N-CA-C 109.725 -0.472 . . . . 0.31 109.725 174.055 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 613' ' ' GLN . . . . . . . . . . . . . 24.8 mm-40 -66.48 -35.26 79.82 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.837 -0.62 . . . . 2.31 109.8 179.917 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 614' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -65.98 -40.22 91.01 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 114.978 -1.01 . . . . 1.95 110.475 -179.872 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 615' ' ' ILE . . . . . 0.469 HG13 ' O ' ' A' ' 611' ' ' ILE . 87.4 mt -59.64 -42.2 87.63 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.227 0 CA-C-N 116.4 -0.364 . . . . 0.35 110.425 176.652 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 616' ' ' HIS . . . . . . . . . . . . . 56.0 m80 -65.88 -26.68 67.74 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.408 -0.36 . . . . 1.26 110.914 178.562 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 617' ' ' SER . . . . . . . . . . . . . 15.2 m . . . . . 0 C--N 1.327 -0.377 0 CA-C-O 120.92 0.39 . . . . 1.18 110.738 176.013 . . . . . . . . 0 0 . 1 . 025 nuclear build core ' A' A ' 520' ' ' ARG . . . . . . . . . . . . . 49.0 mtm-85 . . . . . 0 CA--C 1.513 -0.446 0 CA-C-O 121.31 0.576 . . . . 2.22 111.031 . . . . . . . . . 0 0 . 1 . 025 nuclear build core ' A' A ' 521' ' ' VAL . . . . . 0.652 HG13 HD21 ' A' ' 599' ' ' LEU . 91.4 t -115.65 122.7 69.98 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.872 0 CA-C-N 115.145 -0.934 . . . . 0.32 110.349 170.465 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 522' ' ' VAL . . . . . 0.535 ' HB ' ' O ' ' A' ' 561' ' ' LEU . 22.3 t -120.66 121.2 64.74 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.732 0 N-CA-C 107.672 -1.233 . . . . 0.22 107.672 174.113 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 523' ' ' HIS . . . . . . . . . . . . . 40.7 t-80 -106.31 130.13 54.2 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-O 121.058 0.456 . . . . 0.44 110.12 -173.765 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 524' ' ' ILE . . . . . 0.496 HD11 HD22 ' A' ' 561' ' ' LEU . 31.5 mt -111.17 136.04 48.47 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.999 0 N-CA-C 108.717 -0.845 . . . . 0.19 108.717 178.621 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 525' ' ' CYS . . . . . 0.507 ' O ' ' HB2' ' A' ' 526' ' ' ASN . 1.8 p -139.03 166.61 24.06 Favored 'General case' 0 C--N 1.311 -1.092 0 C-N-CA 120.684 -0.406 . . . . 1.17 111.3 -173.764 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 526' ' ' ASN . . . . . 0.507 ' HB2' ' O ' ' A' ' 525' ' ' CYS . 95.5 m-20 87.39 28.25 0.03 OUTLIER 'General case' 0 N--CA 1.468 0.462 0 O-C-N 124.983 1.427 . . . . 0.26 110.291 178.041 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 527' ' ' LEU . . . . . 0.431 ' HA ' ' HD3' ' A' ' 528' ' ' PRO . 81.3 mt -87.49 125.58 64.96 Favored Pre-proline 0 N--CA 1.449 -0.524 0 CA-C-N 115.207 -0.906 . . . . 0.25 108.86 177.036 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 528' ' ' PRO . . . . . 0.431 ' HD3' ' HA ' ' A' ' 527' ' ' LEU . 6.9 Cg_exo -70.56 134.6 26.64 Favored 'Trans proline' 0 N--CA 1.46 -0.499 0 C-N-CA 121.727 1.618 . . . . 0.38 111.566 -178.873 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 529' ' ' GLU . . . . . . . . . . . . . 52.9 tt0 -66.06 133.82 51.56 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.155 -0.475 . . . . 1.6 109.721 178.782 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 530' ' ' GLY . . . . . . . . . . . . . . . 87.64 3.55 80.73 Favored Glycine 0 N--CA 1.446 -0.639 0 C-N-CA 120.305 -0.95 . . . . 0.48 111.13 -173.382 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 531' ' ' SER . . . . . . . . . . . . . 57.3 m -149.05 17.86 0.97 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.005 0.431 . . . . 1.08 110.73 -177.167 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 532' ' ' CYS . . . . . 0.414 ' HB2' ' HD2' ' A' ' 554' ' ' LYS . 57.3 m -92.02 95.2 9.65 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 108.921 -0.77 . . . . 0.25 108.921 177.0 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 533' ' ' THR . . . . . 0.563 ' O ' HG23 ' A' ' 537' ' ' VAL . 81.1 p -106.92 150.2 26.68 Favored 'General case' 0 C--N 1.322 -0.609 0 C-N-CA 120.372 -0.531 . . . . 0.35 110.114 -177.737 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 534' ' ' GLU . . . . . 0.569 ' N ' HD11 ' A' ' 552' ' ' LEU . 37.2 mt-10 -67.48 -35.84 79.94 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.354 0.597 . . . . 1.64 110.065 -178.93 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 535' ' ' ASN . . . . . . . . . . . . . 54.9 t30 -63.21 -48.55 77.83 Favored 'General case' 0 C--O 1.215 -0.754 0 CA-C-N 114.847 -1.069 . . . . 1.82 111.232 -173.737 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 536' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -70.66 -40.9 72.73 Favored 'General case' 0 N--CA 1.469 0.478 0 CA-C-O 121.207 0.527 . . . . 0.61 111.438 -173.701 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 537' ' ' VAL . . . . . 0.563 HG23 ' O ' ' A' ' 533' ' ' THR . 38.3 t -59.77 -47.92 89.53 Favored 'Isoleucine or valine' 0 C--O 1.241 0.656 0 CA-C-O 122.149 0.976 . . . . 0.15 109.575 179.2 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 538' ' ' ILE . . . . . 0.617 HD11 ' CG ' ' A' ' 550' ' ' TYR . 66.6 mt -68.43 -33.28 59.36 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.728 0 CA-C-N 114.936 -1.029 . . . . 0.23 111.364 175.799 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 539' ' ' ASN . . . . . 0.535 ' HA ' HD11 ' A' ' 615' ' ' ILE . 11.1 m120 -57.35 -27.73 62.52 Favored 'General case' 0 CA--C 1.51 -0.56 0 N-CA-C 110.08 -0.341 . . . . 0.25 110.08 177.108 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 540' ' ' LEU . . . . . 0.66 HD11 HD12 ' A' ' 588' ' ' LEU . 40.5 mt -76.62 -41.42 46.05 Favored 'General case' 0 C--N 1.321 -0.638 0 C-N-CA 120.704 -0.398 . . . . 0.27 110.37 174.433 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 541' ' ' GLY . . . . . 0.496 ' HA3' HD21 ' A' ' 561' ' ' LEU . . . -64.57 -51.2 54.21 Favored Glycine 0 CA--C 1.527 0.801 0 N-CA-C 115.814 1.086 . . . . 0.19 115.814 -179.753 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 542' ' ' LEU . . . . . 0.508 HD13 ' CG1' ' A' ' 612' ' ' ILE . 54.7 mt -62.08 -42.73 83.33 Favored Pre-proline 0 C--N 1.319 -0.749 0 N-CA-C 115.448 1.647 . . . . 0.2 115.448 -168.326 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 543' ' ' PRO . . . . . 0.4 ' HG3' HG21 ' A' ' 615' ' ' ILE . 50.7 Cg_exo -60.18 -26.73 83.3 Favored 'Trans proline' 0 CA--C 1.531 0.329 0 C-N-CA 121.547 1.498 . . . . 0.23 113.362 -178.12 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 544' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -102.47 -15.09 16.58 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 112.148 0.425 . . . . 0.33 112.148 -179.555 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 545' ' ' GLY . . . . . 0.442 ' O ' ' HA ' ' A' ' 542' ' ' LEU . . . -171.59 -175.53 39.99 Favored Glycine 0 C--O 1.224 -0.476 0 C-N-CA 120.089 -1.053 . . . . 0.44 112.599 -177.074 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 546' ' ' LYS . . . . . . . . . . . . . 25.1 ttmm -94.99 122.74 37.95 Favored 'General case' 0 C--N 1.318 -0.775 0 N-CA-C 109.854 -0.425 . . . . 2.07 109.854 -178.152 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 547' ' ' VAL . . . . . 0.589 ' HB ' HG11 ' A' ' 608' ' ' VAL . 83.1 t -88.96 113.46 25.62 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.63 0 CA-C-O 121.316 0.579 . . . . 0.2 110.271 175.289 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 548' ' ' THR . . . . . . . . . . . . . 21.4 p -98.35 -34.97 10.46 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-N 115.536 -0.756 . . . . 0.31 111.544 177.975 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 549' ' ' ASN . . . . . 0.458 ' HB2' ' HB3' ' A' ' 562' ' ' GLU . 7.0 m-20 -140.5 150.59 43.94 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.011 -0.541 . . . . 1.26 110.324 -178.657 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 550' ' ' TYR . . . . . 0.617 ' CG ' HD11 ' A' ' 538' ' ' ILE . 1.2 p90 -151.82 150.78 30.51 Favored 'General case' 0 C--N 1.317 -0.827 0 CA-C-N 115.449 -0.796 . . . . 0.31 109.008 179.348 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 551' ' ' ILE . . . . . 0.437 ' HB ' ' HB2' ' A' ' 560' ' ' PHE . 47.8 mt -144.4 123.38 6.8 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 N-CA-C 108.246 -1.02 . . . . 0.22 108.246 -176.529 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 552' ' ' LEU . . . . . 0.569 HD11 ' N ' ' A' ' 534' ' ' GLU . 23.8 mt -107.56 122.28 46.35 Favored 'General case' 0 C--N 1.317 -0.846 0 C-N-CA 120.117 -0.633 . . . . 0.43 109.954 -179.475 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 553' ' ' MET . . . . . . . . . . . . . 53.6 mtm -109.0 82.49 1.6 Allowed 'General case' 0 C--N 1.316 -0.867 0 N-CA-C 108.592 -0.892 . . . . 1.03 108.592 179.529 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 554' ' ' LYS . . . . . 0.414 ' HD2' ' HB2' ' A' ' 532' ' ' CYS . 24.7 mmtp -54.08 -29.96 46.48 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 114.483 -1.235 . . . . 1.03 112.643 178.212 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 555' ' ' SER . . . . . . . . . . . . . 61.2 p -69.99 -41.39 74.46 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 120.808 0.337 . . . . 0.51 111.031 -174.925 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 556' ' ' THR . . . . . . . . . . . . . 71.6 p -98.08 3.85 49.23 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 112.304 0.483 . . . . 0.45 112.304 -177.3 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 557' ' ' ASN . . . . . . . . . . . . . 3.5 m-20 58.74 38.72 24.83 Favored 'General case' 0 N--CA 1.47 0.57 0 CA-C-O 121.563 0.697 . . . . 1.28 110.367 -178.868 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 558' ' ' GLN . . . . . . . . . . . . . 42.6 mt-30 -142.04 168.05 20.68 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.303 -0.862 . . . . 0.84 110.154 -176.682 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 559' ' ' ALA . . . . . 0.426 ' HB1' HD23 ' A' ' 552' ' ' LEU . . . -156.94 165.1 37.12 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.118 0.485 . . . . 0.16 111.686 -176.932 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 560' ' ' PHE . . . . . 0.437 ' HB2' ' HB ' ' A' ' 551' ' ' ILE . 85.1 m-85 -120.98 149.91 41.94 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.875 -0.602 . . . . 0.35 111.337 176.737 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 561' ' ' LEU . . . . . 0.535 ' O ' ' HB ' ' A' ' 522' ' ' VAL . 51.4 tp -137.22 120.44 16.79 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.289 -0.869 . . . . 0.2 109.897 -178.845 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 562' ' ' GLU . . . . . 0.458 ' HB3' ' HB2' ' A' ' 549' ' ' ASN . 31.3 tt0 -98.94 132.86 43.94 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.345 0.593 . . . . 2.09 110.612 179.031 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 563' ' ' MET . . . . . 0.624 ' SD ' ' HA ' ' A' ' 569' ' ' ALA . 39.0 mtt -118.78 152.85 35.43 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 114.943 -1.026 . . . . 0.39 109.142 -177.418 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 564' ' ' ALA . . . . . . . . . . . . . . . -76.83 -20.06 56.8 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.333 -0.394 . . . . 0.5 111.86 -169.212 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 565' ' ' TYR . . . . . 0.424 ' HB3' ' HG2' ' A' ' 567' ' ' GLU . 91.5 m-85 -141.7 151.86 43.35 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.388 -0.369 . . . . 1.15 110.383 179.917 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 566' ' ' THR . . . . . . . . . . . . . 15.0 t -67.76 -27.63 66.94 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-N 115.686 -0.688 . . . . 0.57 110.454 -178.671 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 567' ' ' GLU . . . . . 0.424 ' HG2' ' HB3' ' A' ' 565' ' ' TYR . 7.7 pt-20 -58.77 -31.81 68.71 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-N 116.005 -0.543 . . . . 0.89 111.343 176.011 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 568' ' ' ALA . . . . . 0.653 ' O ' ' HG3' ' A' ' 572' ' ' MET . . . -72.97 -42.56 63.23 Favored 'General case' 0 N--CA 1.449 -0.488 0 CA-C-N 116.278 -0.419 . . . . 0.26 110.22 -177.653 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 569' ' ' ALA . . . . . 0.624 ' HA ' ' SD ' ' A' ' 563' ' ' MET . . . -64.09 -45.9 86.63 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.925 -0.579 . . . . 0.24 111.535 -175.908 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 570' ' ' GLN . . . . . . . . . . . . . 3.8 pt20 -69.11 -36.1 77.16 Favored 'General case' 0 C--N 1.328 -0.338 0 C-N-CA 120.697 -0.401 . . . . 1.24 110.707 -178.346 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 571' ' ' ALA . . . . . . . . . . . . . . . -64.39 -44.11 92.36 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.241 -0.436 . . . . 0.31 111.06 -179.777 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 572' ' ' MET . . . . . 0.653 ' HG3' ' O ' ' A' ' 568' ' ' ALA . 28.4 mtt -67.82 -41.49 82.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.439 -0.346 . . . . 0.47 110.506 -179.207 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 573' ' ' VAL . . . . . 0.534 HG23 ' O ' ' A' ' 569' ' ' ALA . 82.0 t -58.54 -45.96 90.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 N-CA-C 110.039 -0.356 . . . . 0.34 110.039 177.817 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 574' ' ' GLN . . . . . . . . . . . . . 15.3 mm-40 -60.98 -40.3 92.92 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.39 -0.368 . . . . 2.09 110.989 178.463 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 575' ' ' TYR . . . . . . . . . . . . . 76.5 t80 -68.0 -53.03 29.02 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 116.057 -0.52 . . . . 0.48 110.928 -177.685 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 576' ' ' TYR . . . . . 0.471 ' CD2' HD12 ' A' ' 590' ' ' ILE . 93.2 m-85 -75.04 -12.61 60.36 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 112.971 0.73 . . . . 0.36 112.971 -174.96 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 577' ' ' GLN . . . . . 0.473 ' HA ' ' OE1' ' A' ' 577' ' ' GLN . 12.4 mm-40 -74.22 -41.42 61.4 Favored 'General case' 0 C--N 1.323 -0.557 0 C-N-CA 120.282 -0.567 . . . . 1.89 110.173 171.261 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 578' ' ' GLU . . . . . . . . . . . . . 48.6 mt-10 -87.39 -37.75 16.78 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.353 -0.385 . . . . 2.14 111.318 179.329 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 579' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -133.21 85.4 44.83 Favored Pre-proline 0 C--N 1.326 -0.424 0 CA-C-O 120.765 0.317 . . . . 2.46 110.269 176.898 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 580' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo -70.12 161.89 44.3 Favored 'Trans proline' 0 C--O 1.236 0.38 0 C-N-CA 123.147 2.564 . . . . 0.37 112.759 -179.793 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 581' ' ' ALA . . . . . . . . . . . . . . . -92.85 137.9 31.96 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.03 -0.532 . . . . 0.27 110.353 -178.924 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 582' ' ' ILE . . . . . . . . . . . . . 65.5 mt -98.94 122.03 50.2 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.682 0 CA-C-O 120.945 0.403 . . . . 0.51 111.116 -177.344 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 583' ' ' ILE . . . . . 0.606 HG13 HD11 ' A' ' 588' ' ' LEU . 28.5 mm -126.89 112.29 28.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 115.979 -0.555 . . . . 0.51 109.908 175.296 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 584' ' ' ASN . . . . . . . . . . . . . 20.1 m120 53.73 39.71 30.59 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-O 121.482 0.658 . . . . 1.1 111.03 -179.483 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 585' ' ' GLY . . . . . . . . . . . . . . . 84.62 0.12 89.24 Favored Glycine 0 N--CA 1.445 -0.737 0 CA-C-N 114.958 -1.019 . . . . 0.44 113.926 175.149 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 586' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -114.63 127.75 55.94 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 117.263 0.531 . . . . 1.79 111.005 -179.89 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 587' ' ' LYS . . . . . . . . . . . . . 96.3 mttt -73.3 130.13 39.53 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.723 -0.671 . . . . 1.67 111.327 179.548 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 588' ' ' LEU . . . . . 0.66 HD12 HD11 ' A' ' 540' ' ' LEU . 33.5 mt -85.54 141.2 30.04 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.011 -0.541 . . . . 0.24 111.032 179.689 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 589' ' ' LEU . . . . . 0.417 ' HB3' ' SG ' ' A' ' 525' ' ' CYS . 61.1 tp -112.7 112.41 23.91 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.825 -0.625 . . . . 0.38 110.486 178.213 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 590' ' ' ILE . . . . . 0.471 HD12 ' CD2' ' A' ' 576' ' ' TYR . 23.5 mt -99.89 120.21 48.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 N-CA-C 109.899 -0.408 . . . . 0.26 109.899 175.217 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 591' ' ' ARG . . . . . . . . . . . . . 58.1 mtp180 -147.46 165.36 30.51 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.242 -0.436 . . . . 2.62 110.332 -176.643 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 592' ' ' MET . . . . . . . . . . . . . 52.0 mtt -83.29 139.44 33.07 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 109.73 -0.47 . . . . 0.34 109.73 179.473 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 593' ' ' SER . . . . . . . . . . . . . 37.7 t -78.46 139.98 38.67 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.365 0.602 . . . . 1.37 110.965 -178.473 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 594' ' ' THR . . . . . . . . . . . . . 21.0 p -90.21 -13.02 36.34 Favored 'General case' 0 C--N 1.316 -0.875 0 CA-C-N 114.934 -1.03 . . . . 0.38 111.493 -178.98 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 595' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -101.73 -27.46 13.03 Favored 'General case' 0 C--O 1.234 0.26 0 N-CA-C 113.055 0.761 . . . . 2.75 113.055 -169.671 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 596' ' ' TYR . . . . . . . . . . . . . 98.3 m-85 -129.04 148.24 50.98 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 112.411 0.523 . . . . 0.65 112.411 -175.227 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 597' ' ' LYS . . . . . . . . . . . . . 9.2 mptt -108.81 -8.72 15.28 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.326 -0.852 . . . . 2.18 111.574 176.456 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 598' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -142.85 150.47 39.94 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.135 0.493 . . . . 0.95 111.258 -177.752 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 599' ' ' LEU . . . . . 0.652 HD21 HG13 ' A' ' 521' ' ' VAL . 81.6 mt -115.34 123.65 49.26 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.288 -0.869 . . . . 0.45 110.683 176.584 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 600' ' ' GLN . . . . . . . . . . . . . 22.6 tt0 -113.87 121.98 45.64 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.305 -0.407 . . . . 1.52 110.459 179.468 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 601' ' ' LEU . . . . . 0.45 ' HG ' ' ND2' ' A' ' 549' ' ' ASN . 80.5 mt -72.46 100.64 2.75 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.864 0.364 . . . . 0.46 111.188 178.954 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 602' ' ' LYS . . . . . . . . . . . . . 94.3 mttt -83.01 -14.91 53.08 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.489 0.661 . . . . 1.73 109.474 171.352 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 603' ' ' LYS . . . . . . . . . . . . . 34.9 mmtp . . . . . 0 C--N 1.322 -0.615 0 CA-C-N 115.146 -0.933 . . . . 1.69 108.793 175.446 . . . . . . . . 0 0 . 1 . 025 nuclear build core ' A' A ' 607' ' ' ASN . . . . . . . . . . . . . 28.0 t-20 . . . . . 0 C--O 1.231 0.13 0 CA-C-O 121.258 0.552 . . . . 1.33 110.752 . . . . . . . . . 0 0 . 1 . 025 nuclear build core ' A' A ' 608' ' ' VAL . . . . . 0.589 HG11 ' HB ' ' A' ' 547' ' ' VAL . 72.5 t -86.45 -20.35 7.86 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-N 115.498 -0.773 . . . . 0.3 111.002 -176.204 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 609' ' ' ALA . . . . . . . . . . . . . . . -61.35 -32.56 72.46 Favored 'General case' 0 C--O 1.238 0.491 0 CA-C-O 121.333 0.587 . . . . 0.44 111.097 177.396 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 610' ' ' ALA . . . . . . . . . . . . . . . -64.96 -27.59 68.94 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.968 -0.56 . . . . 0.4 110.204 177.217 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 611' ' ' ILE . . . . . 0.439 ' O ' HG13 ' A' ' 615' ' ' ILE . 76.0 mt -71.54 -30.47 39.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-N 115.798 -0.637 . . . . 0.25 110.107 178.401 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 612' ' ' ILE . . . . . 0.508 ' CG1' HD13 ' A' ' 542' ' ' LEU . 61.4 mt -60.47 -43.71 94.81 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.247 0 N-CA-C 109.55 -0.537 . . . . 0.31 109.55 171.993 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 613' ' ' GLN . . . . . . . . . . . . . 72.7 mt-30 -62.62 -33.9 75.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.559 -0.746 . . . . 2.31 110.158 177.465 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 614' ' ' ASP . . . . . . . . . . . . . 23.4 t70 -65.97 -44.8 83.88 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.234 -0.894 . . . . 1.95 110.607 179.374 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 615' ' ' ILE . . . . . 0.535 HD11 ' HA ' ' A' ' 539' ' ' ASN . 83.9 mt -62.1 -47.41 93.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 115.881 -0.6 . . . . 0.35 110.768 -179.989 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 616' ' ' HIS . . . . . . . . . . . . . 30.9 m80 -63.47 -31.42 72.57 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.008 -0.542 . . . . 1.26 111.214 -179.452 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 617' ' ' SER . . . . . . . . . . . . . 64.2 m . . . . . 0 C--N 1.328 -0.357 0 CA-C-N 116.659 -0.246 . . . . 1.18 110.658 176.038 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 1' ' ' ADN . . . . . 0.606 ' C6 ' HG21 ' A' ' 594' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 2' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.879 0 C3'-C2'-C1' 100.224 -1.417 . 0.0 '__' . 2.99 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 3' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.846 0 C3'-C2'-C1' 100.54 -1.067 . 0.0 OUTLIER . 1.58 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 4' ' ' ' U' . . . . . 0.459 ' O4 ' ' HA ' ' A' ' 599' ' ' LEU . . . . . . . . 0 O5'--C5' 1.427 -0.838 0 C3'-C2'-C1' 99.885 -1.795 . 0.0 OUTLIER gamma 1.15 . . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 5' ' ' ' U' . . . . . 0.657 ' N3 ' HG23 ' A' ' 551' ' ' ILE . . . . . . . . 0 O5'--C5' 1.426 -0.879 0 C3'-C2'-C1' 99.974 -1.695 . 0.294 0b . 1.33 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 6' ' ' ' A' . . . . . 0.475 " C5'" ' HB2' ' A' ' 554' ' ' LYS . . . . . . . . 0 O5'--C5' 1.428 -0.741 0 C4'-C3'-C2' 103.437 0.737 . 0.0 OUTLIER . 4.23 . . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 510' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.693 0 N-CA-C 112.06 -0.416 . . . . 8.88 112.06 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 511' ' ' ALA . . . . . . . . . . . . . . . 62.73 16.54 9.06 Favored 'General case' 0 N--CA 1.466 0.337 0 C-N-CA 122.884 0.474 . . . . 6.64 111.924 178.32 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 512' ' ' MET . . . . . . . . . . . . . 64.4 ttp -80.0 -46.21 17.04 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.283 0.563 . . . . 6.33 109.753 178.916 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 513' ' ' ALA . . . . . . . . . . . . . . . -87.7 72.6 9.47 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.699 -0.682 . . . . 4.2 109.864 178.097 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 514' ' ' GLN . . . . . 0.419 ' NE2' ' HA ' ' A' ' 594' ' ' THR . 96.9 mt-30 72.62 153.72 0.14 Allowed 'General case' 0 N--CA 1.464 0.273 0 CA-C-N 115.392 -0.822 . . . . 2.88 111.384 -179.027 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 515' ' ' ARG . . . . . . . . . . . . . 32.6 mmt180 -85.63 62.86 7.73 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.694 -0.684 . . . . 4.0 110.617 -178.456 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 516' ' ' LYS . . . . . . . . . . . . . 71.9 mmtt -94.09 61.12 2.89 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.009 0.433 . . . . 1.89 110.226 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 517' ' ' GLY . . . . . . . . . . . . . . . -135.18 -68.52 0.07 OUTLIER Glycine 0 N--CA 1.45 -0.415 0 N-CA-C 111.028 -0.829 . . . . 2.04 111.028 177.674 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 518' ' ' ALA . . . . . . . . . . . . . . . -86.25 67.33 9.91 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 108.717 -0.846 . . . . 1.75 108.717 172.201 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 519' ' ' GLY . . . . . . . . . . . . . . . 119.88 123.47 3.11 Favored Glycine 0 N--CA 1.441 -0.974 0 N-CA-C 110.647 -0.981 . . . . 0.67 110.647 -171.563 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 520' ' ' ARG . . . . . . . . . . . . . 13.3 mtm-85 -134.03 135.41 43.36 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 121.005 0.431 . . . . 2.22 110.44 176.795 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 521' ' ' VAL . . . . . 0.694 HG13 HD21 ' A' ' 599' ' ' LEU . 94.8 t -116.77 121.01 66.75 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.703 0 CA-C-N 115.913 -0.585 . . . . 0.32 110.038 167.731 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 522' ' ' VAL . . . . . 0.617 ' HB ' ' O ' ' A' ' 561' ' ' LEU . 28.3 t -120.3 121.32 65.37 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.882 0 N-CA-C 107.639 -1.245 . . . . 0.22 107.639 175.457 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 523' ' ' HIS . . . . . . . . . . . . . 45.1 t-80 -105.57 130.44 53.62 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-O 121.176 0.512 . . . . 0.44 110.651 -172.65 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 524' ' ' ILE . . . . . 0.417 HG12 HG12 ' A' ' 590' ' ' ILE . 27.5 mt -111.23 142.43 23.66 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.882 0 N-CA-C 108.223 -1.029 . . . . 0.19 108.223 176.759 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 525' ' ' CYS . . . . . 0.475 ' O ' ' HB2' ' A' ' 526' ' ' ASN . 1.3 p -143.29 166.05 25.79 Favored 'General case' 0 C--N 1.313 -1.004 0 C-N-CA 120.325 -0.55 . . . . 1.17 111.526 -176.748 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 526' ' ' ASN . . . . . 0.475 ' HB2' ' O ' ' A' ' 525' ' ' CYS . 86.5 m-20 87.38 27.32 0.04 OUTLIER 'General case' 0 N--CA 1.467 0.385 0 O-C-N 125.154 1.533 . . . . 0.26 110.042 179.135 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 527' ' ' LEU . . . . . 0.444 ' HA ' ' HD3' ' A' ' 528' ' ' PRO . 80.5 mt -92.22 123.27 63.0 Favored Pre-proline 0 C--N 1.327 -0.412 0 CA-C-N 115.247 -0.888 . . . . 0.25 109.027 177.206 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 528' ' ' PRO . . . . . 0.444 ' HD3' ' HA ' ' A' ' 527' ' ' LEU . 3.2 Cg_exo -74.19 135.25 20.44 Favored 'Trans proline' 0 N--CA 1.46 -0.499 0 C-N-CA 121.829 1.686 . . . . 0.38 111.973 -177.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 529' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -64.34 129.31 39.44 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 109.37 -0.604 . . . . 1.6 109.37 174.619 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 530' ' ' GLY . . . . . . . . . . . . . . . 93.65 4.29 63.89 Favored Glycine 0 N--CA 1.445 -0.763 0 C-N-CA 120.211 -0.995 . . . . 0.48 110.639 -171.888 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 531' ' ' SER . . . . . . . . . . . . . 48.0 m -149.19 7.65 0.7 Allowed 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.23 -0.485 . . . . 1.08 110.223 -179.119 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 532' ' ' CYS . . . . . 0.537 ' HB2' ' HD2' ' A' ' 554' ' ' LYS . 66.8 m -89.27 86.54 6.86 Favored 'General case' 0 CA--C 1.515 -0.375 0 N-CA-C 108.789 -0.819 . . . . 0.25 108.789 177.254 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 533' ' ' THR . . . . . 0.525 ' O ' HG23 ' A' ' 537' ' ' VAL . 72.4 p -98.03 147.45 24.51 Favored 'General case' 0 N--CA 1.442 -0.851 0 C-N-CA 119.999 -0.68 . . . . 0.35 109.787 -178.066 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 534' ' ' GLU . . . . . 0.665 ' HA ' HD11 ' A' ' 552' ' ' LEU . 35.2 mt-10 -68.55 -36.15 78.41 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.55 0.69 . . . . 1.64 110.279 -177.207 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 535' ' ' ASN . . . . . . . . . . . . . 4.7 t-20 -66.0 -46.73 76.92 Favored 'General case' 0 C--O 1.216 -0.68 0 CA-C-N 114.602 -1.181 . . . . 1.82 110.833 -175.376 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 536' ' ' ASP . . . . . 0.44 ' HA ' ' OD1' ' A' ' 539' ' ' ASN . 1.3 m-20 -71.31 -41.79 69.44 Favored 'General case' 0 N--CA 1.474 0.75 0 CA-C-O 121.112 0.482 . . . . 0.61 111.893 -172.137 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 537' ' ' VAL . . . . . 0.525 HG23 ' O ' ' A' ' 533' ' ' THR . 45.8 t -58.97 -46.52 91.49 Favored 'Isoleucine or valine' 0 C--O 1.242 0.686 0 CA-C-O 122.267 1.032 . . . . 0.15 109.335 178.344 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 538' ' ' ILE . . . . . 0.641 HD11 ' CG ' ' A' ' 550' ' ' TYR . 27.6 mt -67.85 -32.37 56.18 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.789 0 CA-C-N 114.914 -1.039 . . . . 0.23 111.398 174.592 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 539' ' ' ASN . . . . . 0.484 ' HA ' HD11 ' A' ' 615' ' ' ILE . 11.1 m120 -57.69 -28.21 63.6 Favored 'General case' 0 CA--C 1.513 -0.474 0 N-CA-C 110.427 -0.212 . . . . 0.25 110.427 177.422 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 540' ' ' LEU . . . . . 0.454 HD11 HD12 ' A' ' 588' ' ' LEU . 83.4 mt -75.79 -42.64 49.51 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 109.613 -0.514 . . . . 0.27 109.613 173.91 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 541' ' ' GLY . . . . . 0.442 ' CA ' HD21 ' A' ' 561' ' ' LEU . . . -64.44 -52.75 40.7 Favored Glycine 0 CA--C 1.525 0.709 0 N-CA-C 115.714 1.046 . . . . 0.19 115.714 -178.678 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 542' ' ' LEU . . . . . 0.507 ' HA ' ' O ' ' A' ' 545' ' ' GLY . 42.5 mt -57.63 -46.15 99.78 Favored Pre-proline 0 C--N 1.32 -0.68 0 N-CA-C 115.056 1.502 . . . . 0.2 115.056 -168.386 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 543' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_exo -60.1 -26.12 81.64 Favored 'Trans proline' 0 C--N 1.347 0.459 0 C-N-CA 122.059 1.84 . . . . 0.23 113.603 -177.592 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 544' ' ' PHE . . . . . 0.456 ' HB2' ' HE2' ' A' ' 572' ' ' MET . 94.0 m-85 -98.6 -14.78 19.74 Favored 'General case' 0 C--N 1.331 -0.221 0 O-C-N 121.848 -0.533 . . . . 0.33 111.145 177.682 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 545' ' ' GLY . . . . . 0.507 ' O ' ' HA ' ' A' ' 542' ' ' LEU . . . 176.27 152.71 9.86 Favored Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.893 -0.67 . . . . 0.44 111.973 179.744 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 546' ' ' LYS . . . . . . . . . . . . . 7.0 ttpm? -66.31 129.34 39.51 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.024 0.44 . . . . 2.07 111.0 -178.113 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 547' ' ' VAL . . . . . 0.625 HG21 HG23 ' A' ' 538' ' ' ILE . 69.0 t -86.35 116.24 28.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 115.744 -0.662 . . . . 0.2 110.897 179.631 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 548' ' ' THR . . . . . . . . . . . . . 23.5 p -92.83 -36.18 12.99 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.992 -0.549 . . . . 0.31 111.725 179.742 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 549' ' ' ASN . . . . . 0.517 ' HB2' ' CB ' ' A' ' 562' ' ' GLU . 88.7 m-20 -143.33 156.19 44.64 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.142 -0.481 . . . . 1.26 110.259 -178.25 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 550' ' ' TYR . . . . . 0.641 ' CG ' HD11 ' A' ' 538' ' ' ILE . 3.3 p90 -161.31 150.59 16.49 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 116.11 -0.496 . . . . 0.31 109.816 178.553 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 551' ' ' ILE . . . . . 0.657 HG23 ' N3 ' ' B' ' 5' ' ' ' U' . 48.0 mt -144.42 123.3 6.68 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 N-CA-C 108.261 -1.015 . . . . 0.22 108.261 -175.778 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 552' ' ' LEU . . . . . 0.665 HD11 ' HA ' ' A' ' 534' ' ' GLU . 30.4 mt -108.78 120.45 42.52 Favored 'General case' 0 C--N 1.315 -0.892 0 C-N-CA 119.72 -0.792 . . . . 0.43 110.314 -179.038 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 553' ' ' MET . . . . . 0.54 ' HA ' " H4'" ' B' ' 5' ' ' ' U' . 64.4 mtm -108.16 82.81 1.69 Allowed 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 108.545 -0.909 . . . . 1.03 108.545 -179.115 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 554' ' ' LYS . . . . . 0.537 ' HD2' ' HB2' ' A' ' 532' ' ' CYS . 11.7 mmtm -53.35 -27.9 26.07 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 114.367 -1.288 . . . . 1.03 112.122 176.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 555' ' ' SER . . . . . . . . . . . . . 65.3 p -69.59 -42.6 74.22 Favored 'General case' 0 N--CA 1.448 -0.526 0 CA-C-O 120.684 0.278 . . . . 0.51 111.518 -174.311 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 556' ' ' THR . . . . . 0.429 ' O ' ' HG3' ' A' ' 558' ' ' GLN . 40.7 p -99.23 5.63 46.61 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 112.535 0.568 . . . . 0.45 112.535 -177.419 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 557' ' ' ASN . . . . . . . . . . . . . 38.1 m-80 59.24 39.12 23.04 Favored 'General case' 0 N--CA 1.471 0.581 0 CA-C-O 121.778 0.799 . . . . 1.28 110.217 -177.411 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 558' ' ' GLN . . . . . 0.429 ' HG3' ' O ' ' A' ' 556' ' ' THR . 76.7 mt-30 -141.21 166.61 24.3 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.033 -0.985 . . . . 0.84 109.873 -175.118 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 559' ' ' ALA . . . . . 0.438 ' HB1' HD23 ' A' ' 552' ' ' LEU . . . -157.39 165.82 34.73 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.351 0.596 . . . . 0.16 111.87 -178.5 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 560' ' ' PHE . . . . . 0.453 ' HB2' ' HB ' ' A' ' 551' ' ' ILE . 90.2 m-85 -120.68 143.76 48.55 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 115.445 -0.798 . . . . 0.35 110.422 176.286 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 561' ' ' LEU . . . . . 0.617 ' O ' ' HB ' ' A' ' 522' ' ' VAL . 64.5 tp -134.52 118.13 16.96 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.052 -0.522 . . . . 0.2 109.913 179.18 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 562' ' ' GLU . . . . . 0.517 ' CB ' ' HB2' ' A' ' 549' ' ' ASN . 0.2 OUTLIER -102.74 136.52 42.42 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.804 -0.635 . . . . 2.09 110.02 179.345 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 563' ' ' MET . . . . . 0.623 ' SD ' ' HA ' ' A' ' 569' ' ' ALA . 31.7 mtt -122.32 163.93 18.82 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 115.525 -0.761 . . . . 0.39 109.839 -169.759 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 564' ' ' ALA . . . . . . . . . . . . . . . -68.23 -41.08 81.77 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.0 0.429 . . . . 0.5 111.368 -173.351 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 565' ' ' TYR . . . . . . . . . . . . . 97.5 m-85 -132.49 146.95 52.32 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.994 -0.548 . . . . 1.15 110.659 -179.009 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 566' ' ' THR . . . . . . . . . . . . . 14.0 t -58.36 -27.38 64.15 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.188 -0.914 . . . . 0.57 111.13 -179.708 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 567' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -59.68 -31.84 69.94 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.031 -0.531 . . . . 0.89 111.367 177.438 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 568' ' ' ALA . . . . . 0.647 ' O ' ' HG3' ' A' ' 572' ' ' MET . . . -73.23 -37.65 66.3 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 109.792 -0.448 . . . . 0.26 109.792 -179.251 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 569' ' ' ALA . . . . . 0.623 ' HA ' ' SD ' ' A' ' 563' ' ' MET . . . -64.06 -45.34 89.19 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.602 -0.727 . . . . 0.24 110.821 -177.333 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 570' ' ' GLN . . . . . 0.609 ' O ' ' HG2' ' A' ' 574' ' ' GLN . 12.2 pt20 -68.91 -38.31 79.51 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.747 -0.661 . . . . 1.24 110.307 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 571' ' ' ALA . . . . . . . . . . . . . . . -62.53 -43.63 98.33 Favored 'General case' 0 N--CA 1.454 -0.229 0 CA-C-N 116.251 -0.431 . . . . 0.31 111.239 -178.389 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 572' ' ' MET . . . . . 0.647 ' HG3' ' O ' ' A' ' 568' ' ' ALA . 36.1 mtt -65.79 -44.29 86.19 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.495 -0.321 . . . . 0.47 110.343 179.569 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 573' ' ' VAL . . . . . 0.618 ' O ' ' HG3' ' A' ' 577' ' ' GLN . 92.8 t -58.9 -46.77 91.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.515 -0.312 . . . . 0.34 110.233 179.244 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 574' ' ' GLN . . . . . 0.609 ' HG2' ' O ' ' A' ' 570' ' ' GLN . 28.8 mm-40 -61.33 -38.48 87.04 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.344 -0.389 . . . . 2.09 110.758 -179.745 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 575' ' ' TYR . . . . . . . . . . . . . 87.0 t80 -68.91 -52.77 25.87 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.967 -0.56 . . . . 0.48 110.869 -178.453 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 576' ' ' TYR . . . . . 0.553 ' HA ' ' O ' ' A' ' 579' ' ' LYS . 58.7 m-85 -71.86 -13.31 61.63 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 112.725 0.639 . . . . 0.36 112.725 -176.355 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 577' ' ' GLN . . . . . 0.618 ' HG3' ' O ' ' A' ' 573' ' ' VAL . 92.4 mt-30 -67.31 -42.7 83.22 Favored 'General case' 0 C--N 1.326 -0.44 0 C-N-CA 120.458 -0.497 . . . . 1.89 109.995 171.822 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 578' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -91.54 -38.63 12.39 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.125 -0.488 . . . . 2.14 111.229 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 579' ' ' LYS . . . . . 0.553 ' O ' ' HA ' ' A' ' 576' ' ' TYR . 29.9 mtpp -127.84 91.72 44.35 Favored Pre-proline 0 C--N 1.327 -0.379 0 N-CA-C 109.883 -0.414 . . . . 2.46 109.883 175.666 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 580' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.49 160.63 49.05 Favored 'Trans proline' 0 C--O 1.234 0.311 0 C-N-CA 122.717 2.278 . . . . 0.37 112.694 -177.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 581' ' ' ALA . . . . . 0.455 ' HB2' ' CE1' ' A' ' 576' ' ' TYR . . . -91.76 127.95 37.41 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 109.028 -0.73 . . . . 0.27 109.028 175.92 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 582' ' ' ILE . . . . . . . . . . . . . 54.8 mt -101.46 121.69 52.68 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.814 0 CA-C-O 120.971 0.415 . . . . 0.51 111.226 -173.862 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 583' ' ' ILE . . . . . 0.407 HG13 HD11 ' A' ' 588' ' ' LEU . 33.2 mm -126.77 116.61 45.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 115.644 -0.707 . . . . 0.51 109.1 176.034 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 584' ' ' ASN . . . . . . . . . . . . . 3.3 m-20 59.15 32.6 22.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.309 0.576 . . . . 1.1 110.246 -179.115 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 585' ' ' GLY . . . . . . . . . . . . . . . 78.91 5.95 88.74 Favored Glycine 0 N--CA 1.445 -0.723 0 CA-C-N 115.629 -0.714 . . . . 0.44 112.975 179.076 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 586' ' ' GLU . . . . . . . . . . . . . 27.1 mt-10 -108.21 127.3 53.71 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 122.533 -0.392 . . . . 1.79 110.47 178.623 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 587' ' ' LYS . . . . . . . . . . . . . 38.1 mmtm -71.42 123.52 22.54 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.598 -0.728 . . . . 1.67 110.615 179.326 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 588' ' ' LEU . . . . . 0.454 HD12 HD11 ' A' ' 540' ' ' LEU . 61.5 mt -79.29 138.27 37.68 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 120.878 0.37 . . . . 0.24 110.787 177.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 589' ' ' LEU . . . . . 0.404 ' HB3' ' SG ' ' A' ' 525' ' ' CYS . 49.7 tp -112.58 112.53 24.13 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.858 -0.61 . . . . 0.38 110.267 177.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 590' ' ' ILE . . . . . 0.45 HD12 ' CD2' ' A' ' 576' ' ' TYR . 17.3 mt -100.11 129.1 51.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 N-CA-C 109.811 -0.44 . . . . 0.26 109.811 175.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 591' ' ' ARG . . . . . 0.51 ' HG3' " O5'" ' B' ' 1' ' ' ADN . 12.9 mmm180 -147.02 159.03 44.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.37 -0.377 . . . . 2.62 110.655 -175.792 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 592' ' ' MET . . . . . . . . . . . . . 63.2 mtt -82.34 128.41 34.19 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 109.213 -0.662 . . . . 0.34 109.213 175.217 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 593' ' ' SER . . . . . . . . . . . . . 46.7 t -69.63 135.74 50.31 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.412 0.625 . . . . 1.37 111.365 -176.472 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 594' ' ' THR . . . . . 0.606 HG21 ' C6 ' ' B' ' 1' ' ' ADN . 19.0 p -89.95 -12.66 38.12 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 114.814 -1.085 . . . . 0.38 111.567 -178.832 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 595' ' ' ARG . . . . . . . . . . . . . 95.3 mtt180 -103.43 -30.77 10.36 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 112.626 0.602 . . . . 2.75 112.626 -172.031 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 596' ' ' TYR . . . . . . . . . . . . . 86.2 m-85 -122.89 151.05 42.12 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.194 0.521 . . . . 0.65 111.967 -174.733 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 597' ' ' LYS . . . . . 0.568 ' N ' ' HD2' ' A' ' 597' ' ' LYS . 6.1 mptt -108.05 -24.13 11.71 Favored 'General case' 0 C--O 1.219 -0.514 0 CA-C-N 115.373 -0.83 . . . . 2.18 111.534 -177.366 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 598' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -141.9 150.84 42.04 Favored 'General case' 0 C--N 1.326 -0.444 0 C-N-CA 120.513 -0.475 . . . . 0.95 111.423 -177.024 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 599' ' ' LEU . . . . . 0.694 HD21 HG13 ' A' ' 521' ' ' VAL . 84.9 mt -108.89 125.69 52.27 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.247 -0.888 . . . . 0.45 110.852 176.597 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 600' ' ' GLN . . . . . . . . . . . . . 30.2 tt0 -114.58 125.29 53.61 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.959 -0.564 . . . . 1.52 109.933 177.624 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 601' ' ' LEU . . . . . . . . . . . . . 50.9 mt -75.37 98.61 3.9 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.147 0.498 . . . . 0.46 111.341 -177.843 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 602' ' ' LYS . . . . . . . . . . . . . 95.0 mttt -79.84 -23.72 41.81 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.605 0.717 . . . . 1.73 109.251 173.364 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 603' ' ' LYS . . . . . . . . . . . . . 34.1 mmtp -117.37 131.2 24.16 Favored Pre-proline 0 C--N 1.324 -0.521 0 CA-C-N 114.95 -1.023 . . . . 1.69 109.123 176.379 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 604' ' ' PRO . . . . . . . . . . . . . 59.5 Cg_endo -72.45 169.11 22.53 Favored 'Trans proline' 0 C--O 1.235 0.366 0 C-N-CA 122.463 2.109 . . . . 1.21 112.593 -178.446 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 605' ' ' GLY . . . . . . . . . . . . . . . -146.68 172.47 27.2 Favored Glycine 0 N--CA 1.439 -1.102 0 N-CA-C 111.584 -0.606 . . . . 1.23 111.584 -178.734 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 606' ' ' LYS . . . . . . . . . . . . . 54.6 mtpt -80.78 170.93 15.66 Favored 'General case' 0 C--N 1.318 -0.795 0 N-CA-C 110.274 -0.269 . . . . 3.47 110.274 178.704 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 607' ' ' ASN . . . . . . . . . . . . . 35.2 t30 -58.92 123.18 15.64 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.121 0.486 . . . . 1.33 111.053 175.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 608' ' ' VAL . . . . . 0.552 HG11 ' HB ' ' A' ' 547' ' ' VAL . 93.5 t -77.42 -26.76 15.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 115.688 -0.687 . . . . 0.3 111.406 -176.929 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 609' ' ' ALA . . . . . . . . . . . . . . . -62.83 -35.19 79.11 Favored 'General case' 0 C--O 1.239 0.52 0 CA-C-O 121.586 0.708 . . . . 0.44 110.761 176.923 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 610' ' ' ALA . . . . . . . . . . . . . . . -64.48 -27.56 69.06 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.515 -0.766 . . . . 0.4 110.028 177.229 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 611' ' ' ILE . . . . . 0.481 ' CD1' HD12 ' A' ' 538' ' ' ILE . 71.4 mt -70.63 -30.29 41.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 115.674 -0.694 . . . . 0.25 109.655 178.944 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 612' ' ' ILE . . . . . 0.506 ' CG1' HD13 ' A' ' 542' ' ' LEU . 60.6 mt -60.84 -43.45 95.57 Favored 'Isoleucine or valine' 0 C--O 1.234 0.251 0 N-CA-C 109.636 -0.505 . . . . 0.31 109.636 172.379 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 613' ' ' GLN . . . . . . . . . . . . . 80.7 mm-40 -63.21 -33.26 75.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.696 -0.684 . . . . 2.31 110.357 176.413 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 614' ' ' ASP . . . . . . . . . . . . . 21.1 m-20 -65.64 -41.87 92.11 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.788 -0.642 . . . . 1.95 110.817 177.408 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 615' ' ' ILE . . . . . 0.484 HD11 ' HA ' ' A' ' 539' ' ' ASN . 85.0 mt -63.34 -46.5 95.34 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-O 120.989 0.424 . . . . 0.35 110.563 178.667 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 616' ' ' HIS . . . . . . . . . . . . . 13.6 m-70 -63.29 -33.21 75.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.812 -0.631 . . . . 1.26 110.83 178.183 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 617' ' ' SER . . . . . 0.502 ' HB3' ' H ' ' A' ' 621' ' ' ARG . 69.0 m -69.67 -25.12 63.74 Favored 'General case' 0 N--CA 1.451 -0.38 0 CA-C-N 116.304 -0.407 . . . . 1.18 110.707 178.53 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 618' ' ' GLN . . . . . . . . . . . . . 51.2 mt-30 67.07 -75.31 0.06 Allowed 'General case' 0 N--CA 1.468 0.438 0 C-N-CA 123.427 0.691 . . . . 4.68 111.557 176.185 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 619' ' ' ARG . . . . . . . . . . . . . 55.3 mtm180 -128.01 58.18 1.53 Allowed 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 109.411 -0.588 . . . . 7.77 109.411 177.328 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 620' ' ' GLU . . . . . . . . . . . . . 15.4 mm-40 57.66 62.78 2.01 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.189 -0.914 . . . . 7.92 111.192 -179.331 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 621' ' ' ARG . . . . . 0.502 ' H ' ' HB3' ' A' ' 617' ' ' SER . 59.6 ttp180 . . . . . 0 C--O 1.246 0.911 0 CA-C-O 118.544 -0.741 . . . . 11.0 109.611 175.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 1' ' ' ADN . . . . . 0.496 ' N7 ' HG21 ' A' ' 594' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 2' ' ' ' U' . . . . . 0.475 " O5'" " H4'" ' B' ' 1' ' ' ADN . . . . . . . . 0 O5'--C5' 1.427 -0.839 0 C3'-C2'-C1' 100.499 -1.112 . 0.0 '__' . 2.99 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 3' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.894 0 C3'-C2'-C1' 100.029 -1.634 . 0.0 OUTLIER . 1.58 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 4' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.424 -1.014 0 C3'-C2'-C1' 100.787 -0.792 . 0.0 OUTLIER . 1.15 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 5' ' ' ' U' . . . . . 0.711 " H4'" ' HA ' ' A' ' 553' ' ' MET . . . . . . . . 0 O5'--C5' 1.424 -0.987 0 C4'-C3'-C2' 104.232 1.532 . 0.0 OUTLIER alpha 1.33 . . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 6' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.842 0 C3'-C2'-C1' 100.755 -0.828 . 0.0 OUTLIER gamma 4.23 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 510' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.763 0 N-CA-C 111.881 -0.488 . . . . 8.88 111.881 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 511' ' ' ALA . . . . . . . . . . . . . . . -86.93 123.22 31.81 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.962 0.41 . . . . 6.64 111.086 -177.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 512' ' ' MET . . . . . . . . . . . . . 27.1 ptm -94.66 -7.49 40.62 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.969 -0.559 . . . . 6.33 110.567 -179.522 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 513' ' ' ALA . . . . . . . . . . . . . . . -74.02 71.28 1.58 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.481 0.658 . . . . 4.2 110.675 177.739 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 514' ' ' GLN . . . . . 0.454 ' OE1' ' HE3' ' A' ' 597' ' ' LYS . 75.3 mt-30 -107.2 -176.57 3.11 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.558 -0.746 . . . . 2.88 110.13 -178.937 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 515' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -59.31 -69.69 0.19 Allowed 'General case' 0 C--N 1.327 -0.4 0 O-C-N 123.215 0.322 . . . . 4.0 110.477 176.659 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 516' ' ' LYS . . . . . 0.401 ' C ' ' HG2' ' A' ' 520' ' ' ARG . 75.1 mmtt 54.39 50.44 16.22 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-N 115.851 -0.613 . . . . 1.89 110.863 -179.914 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 517' ' ' GLY . . . . . . . . . . . . . . . -125.84 -80.06 0.36 Allowed Glycine 0 N--CA 1.449 -0.456 0 N-CA-C 111.335 -0.706 . . . . 2.04 111.335 177.444 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 518' ' ' ALA . . . . . . . . . . . . . . . -81.75 61.02 4.93 Favored 'General case' 0 C--O 1.236 0.362 0 CA-C-O 121.635 0.731 . . . . 1.75 109.882 175.931 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 519' ' ' GLY . . . . . . . . . . . . . . . 128.92 108.19 1.36 Allowed Glycine 0 N--CA 1.443 -0.85 0 N-CA-C 110.271 -1.131 . . . . 0.67 110.271 -171.859 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 520' ' ' ARG . . . . . 0.401 ' HG2' ' C ' ' A' ' 516' ' ' LYS . 32.3 mtm-85 -129.63 131.38 46.43 Favored 'General case' 0 C--N 1.324 -0.542 0 C-N-CA 120.382 -0.527 . . . . 2.22 110.323 179.31 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 521' ' ' VAL . . . . . 0.697 ' HB ' ' OG ' ' A' ' 593' ' ' SER . 62.2 t -118.41 124.55 73.3 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.664 0 CA-C-N 116.076 -0.511 . . . . 0.32 110.404 170.185 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 522' ' ' VAL . . . . . 0.599 ' HB ' ' O ' ' A' ' 561' ' ' LEU . 23.2 t -120.83 121.7 65.88 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.777 0 N-CA-C 107.538 -1.282 . . . . 0.22 107.538 170.938 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 523' ' ' HIS . . . . . . . . . . . . . 51.4 t-80 -105.89 133.69 50.21 Favored 'General case' 0 C--N 1.323 -0.584 0 O-C-N 121.791 -0.568 . . . . 0.44 110.87 -172.904 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 524' ' ' ILE . . . . . 0.451 HG23 HG12 ' A' ' 590' ' ' ILE . 32.6 mt -111.16 140.04 32.29 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.754 0 N-CA-C 108.738 -0.838 . . . . 0.19 108.738 177.906 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 525' ' ' CYS . . . . . 0.455 ' SG ' ' HG2' ' A' ' 558' ' ' GLN . 38.1 t -134.25 161.24 35.48 Favored 'General case' 0 C--N 1.314 -0.948 0 C-N-CA 120.811 -0.356 . . . . 1.17 111.185 -174.768 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 526' ' ' ASN . . . . . 0.404 ' HB2' ' O ' ' A' ' 525' ' ' CYS . 80.2 m-20 84.64 28.9 0.06 Allowed 'General case' 0 N--CA 1.468 0.454 0 O-C-N 124.663 1.227 . . . . 0.26 111.228 172.042 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 527' ' ' LEU . . . . . 0.449 ' O ' ' HB3' ' A' ' 557' ' ' ASN . 83.9 mt -81.66 125.44 78.22 Favored Pre-proline 0 C--N 1.324 -0.537 0 N-CA-C 108.638 -0.875 . . . . 0.25 108.638 178.461 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 528' ' ' PRO . . . . . . . . . . . . . 9.5 Cg_exo -69.05 135.42 32.11 Favored 'Trans proline' 0 N--CA 1.458 -0.594 0 C-N-CA 121.4 1.4 . . . . 0.38 111.547 -178.717 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 529' ' ' GLU . . . . . 0.431 ' HB2' ' OD1' ' A' ' 557' ' ' ASN . 33.2 tt0 -65.37 136.18 56.21 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 109.378 -0.601 . . . . 1.6 109.378 176.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 530' ' ' GLY . . . . . . . . . . . . . . . 84.71 4.47 87.4 Favored Glycine 0 N--CA 1.446 -0.651 0 C-N-CA 119.919 -1.134 . . . . 0.48 110.933 -172.796 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 531' ' ' SER . . . . . . . . . . . . . 19.5 m -142.08 4.07 1.62 Allowed 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.425 0.631 . . . . 1.08 109.684 -175.814 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 532' ' ' CYS . . . . . . . . . . . . . 85.3 m -89.19 86.9 6.97 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.683 -0.689 . . . . 0.25 109.466 -178.577 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 533' ' ' THR . . . . . 0.47 ' O ' HG23 ' A' ' 537' ' ' VAL . 26.8 p -107.67 152.96 23.61 Favored 'General case' 0 C--N 1.319 -0.757 0 N-CA-C 108.875 -0.787 . . . . 0.35 108.875 179.892 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 534' ' ' GLU . . . . . 0.681 ' HA ' HD11 ' A' ' 552' ' ' LEU . 12.2 mp0 -64.61 -32.82 74.65 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-O 121.228 0.537 . . . . 1.64 109.73 178.926 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 535' ' ' ASN . . . . . . . . . . . . . 10.6 m120 -62.92 -48.1 80.41 Favored 'General case' 0 C--O 1.218 -0.575 0 CA-C-N 115.275 -0.875 . . . . 1.82 111.657 -179.508 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 536' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -67.2 -45.94 75.38 Favored 'General case' 0 N--CA 1.47 0.57 0 CA-C-O 121.744 0.783 . . . . 0.61 110.89 -172.72 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 537' ' ' VAL . . . . . 0.47 HG23 ' O ' ' A' ' 533' ' ' THR . 27.9 t -62.23 -49.03 85.67 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.753 0 CA-C-N 114.459 -1.246 . . . . 0.15 110.428 -176.467 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 538' ' ' ILE . . . . . 0.645 HD11 ' CG ' ' A' ' 550' ' ' TYR . 58.7 mt -68.92 -34.36 63.87 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.745 0 CA-C-N 115.607 -0.724 . . . . 0.23 111.56 177.219 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 539' ' ' ASN . . . . . 0.574 ' HA ' HD11 ' A' ' 615' ' ' ILE . 9.2 m120 -59.12 -25.45 63.86 Favored 'General case' 0 CA--C 1.516 -0.346 0 C-N-CA 120.958 -0.297 . . . . 0.25 110.486 176.91 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 540' ' ' LEU . . . . . 0.554 HD11 HD12 ' A' ' 588' ' ' LEU . 95.3 mt -75.13 -41.5 58.26 Favored 'General case' 0 C--N 1.322 -0.616 0 C-N-CA 120.645 -0.422 . . . . 0.27 110.061 172.824 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 541' ' ' GLY . . . . . 0.52 ' HA3' HD21 ' A' ' 561' ' ' LEU . . . -66.48 -51.51 41.95 Favored Glycine 0 CA--C 1.525 0.691 0 N-CA-C 115.62 1.008 . . . . 0.19 115.62 -179.349 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 542' ' ' LEU . . . . . 0.516 ' HA ' ' O ' ' A' ' 545' ' ' GLY . 75.6 mt -59.57 -43.17 95.24 Favored Pre-proline 0 C--N 1.319 -0.725 0 N-CA-C 115.303 1.594 . . . . 0.2 115.303 -168.243 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 543' ' ' PRO . . . . . 0.471 ' HG3' HD13 ' A' ' 615' ' ' ILE . 50.7 Cg_exo -60.63 -22.49 72.87 Favored 'Trans proline' 0 CA--C 1.534 0.477 0 C-N-CA 121.706 1.604 . . . . 0.23 113.638 -179.377 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 544' ' ' PHE . . . . . 0.528 ' HE2' ' HH ' ' A' ' 576' ' ' TYR . 96.7 m-85 -103.4 -15.89 15.77 Favored 'General case' 0 C--O 1.233 0.213 0 N-CA-C 112.146 0.425 . . . . 0.33 112.146 178.361 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 545' ' ' GLY . . . . . 0.516 ' O ' ' HA ' ' A' ' 542' ' ' LEU . . . -173.03 -179.5 43.76 Favored Glycine 0 C--O 1.224 -0.506 0 C-N-CA 120.353 -0.927 . . . . 0.44 112.394 -176.05 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 546' ' ' LYS . . . . . . . . . . . . . 26.6 ttpp -96.05 122.88 39.35 Favored 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 109.889 -0.412 . . . . 2.07 109.889 -177.297 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 547' ' ' VAL . . . . . 0.609 ' HB ' HG11 ' A' ' 608' ' ' VAL . 71.6 t -89.96 115.46 29.51 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 CA-C-N 116.491 -0.322 . . . . 0.2 110.78 179.348 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 548' ' ' THR . . . . . . . . . . . . . 21.1 p -95.58 -37.68 10.74 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 112.182 0.438 . . . . 0.31 112.182 178.283 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 549' ' ' ASN . . . . . 0.425 ' HB2' ' HB3' ' A' ' 562' ' ' GLU . 4.1 m-20 -141.43 158.71 43.51 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.962 -0.563 . . . . 1.26 109.785 -178.019 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 550' ' ' TYR . . . . . 0.645 ' CG ' HD11 ' A' ' 538' ' ' ILE . 3.5 p90 -161.83 152.46 17.59 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 116.02 -0.536 . . . . 0.31 109.648 -179.377 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 551' ' ' ILE . . . . . 0.462 ' HB ' ' HB2' ' A' ' 560' ' ' PHE . 41.0 mt -144.16 126.59 11.06 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 N-CA-C 107.684 -1.228 . . . . 0.22 107.684 -179.679 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 552' ' ' LEU . . . . . 0.681 HD11 ' HA ' ' A' ' 534' ' ' GLU . 21.2 mt -106.68 129.06 54.64 Favored 'General case' 0 C--N 1.309 -1.186 0 C-N-CA 118.967 -1.093 . . . . 0.43 110.286 -179.623 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 553' ' ' MET . . . . . 0.711 ' HA ' " H4'" ' B' ' 5' ' ' ' U' . 32.1 mtp -104.4 80.14 1.66 Allowed 'General case' 0 C--N 1.32 -0.686 0 N-CA-C 108.317 -0.994 . . . . 1.03 108.317 -178.446 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 554' ' ' LYS . . . . . . . . . . . . . 24.2 mmtp -54.27 -28.68 43.43 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 114.939 -1.028 . . . . 1.03 112.866 176.931 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 555' ' ' SER . . . . . . . . . . . . . 62.7 p -69.59 -44.62 70.41 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 111.964 0.357 . . . . 0.51 111.964 -175.183 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 556' ' ' THR . . . . . . . . . . . . . 45.3 p -102.54 7.9 40.0 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 112.548 0.573 . . . . 0.45 112.548 -174.294 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 557' ' ' ASN . . . . . 0.449 ' HB3' ' O ' ' A' ' 527' ' ' LEU . 87.0 m-20 58.96 39.84 23.15 Favored 'General case' 0 N--CA 1.467 0.419 0 CA-C-O 121.721 0.772 . . . . 1.28 110.432 -177.311 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 558' ' ' GLN . . . . . 0.455 ' HG2' ' SG ' ' A' ' 525' ' ' CYS . 79.2 mt-30 -137.99 169.56 17.57 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 114.924 -1.035 . . . . 0.84 109.567 -176.498 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 559' ' ' ALA . . . . . . . . . . . . . . . -158.62 166.75 31.32 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.49 0.662 . . . . 0.16 112.751 179.339 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 560' ' ' PHE . . . . . 0.462 ' HB2' ' HB ' ' A' ' 551' ' ' ILE . 94.9 m-85 -118.47 142.62 47.39 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.202 -0.908 . . . . 0.35 110.223 175.599 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 561' ' ' LEU . . . . . 0.599 ' O ' ' HB ' ' A' ' 522' ' ' VAL . 60.5 tp -134.51 119.39 18.42 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.858 -0.61 . . . . 0.2 109.801 179.746 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 562' ' ' GLU . . . . . 0.452 ' HB2' HD12 ' A' ' 599' ' ' LEU . 30.6 tt0 -99.82 122.93 43.51 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 121.427 0.632 . . . . 2.09 110.281 178.801 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 563' ' ' MET . . . . . 0.637 ' SD ' ' HA ' ' A' ' 569' ' ' ALA . 31.1 mtt -107.96 162.27 14.18 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-N 115.072 -0.967 . . . . 0.39 109.235 -178.674 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 564' ' ' ALA . . . . . . . . . . . . . . . -60.35 -44.98 95.05 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 117.999 0.363 . . . . 0.5 111.795 -172.898 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 565' ' ' TYR . . . . . . . . . . . . . 77.3 m-85 -138.37 162.94 33.13 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.313 -0.403 . . . . 1.15 111.524 -175.953 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 566' ' ' THR . . . . . . . . . . . . . 13.4 t -60.97 -28.17 68.8 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.729 -0.669 . . . . 0.57 110.612 -179.512 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 567' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -61.89 -32.99 73.41 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.812 -0.631 . . . . 0.89 111.22 -179.749 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 568' ' ' ALA . . . . . 0.67 ' O ' ' HG3' ' A' ' 572' ' ' MET . . . -73.66 -41.73 62.31 Favored 'General case' 0 N--CA 1.45 -0.448 0 N-CA-C 109.495 -0.558 . . . . 0.26 109.495 179.412 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 569' ' ' ALA . . . . . 0.637 ' HA ' ' SD ' ' A' ' 563' ' ' MET . . . -65.1 -45.13 86.43 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.318 -0.856 . . . . 0.24 111.378 -176.199 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 570' ' ' GLN . . . . . 0.411 ' O ' ' HG3' ' A' ' 574' ' ' GLN . 20.5 pt20 -68.01 -37.07 80.99 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.307 -0.406 . . . . 1.24 110.382 -178.363 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 571' ' ' ALA . . . . . . . . . . . . . . . -62.3 -44.93 95.39 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.203 -0.453 . . . . 0.31 110.802 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 572' ' ' MET . . . . . 0.67 ' HG3' ' O ' ' A' ' 568' ' ' ALA . 28.0 mtt -68.99 -40.66 78.64 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.07 -0.514 . . . . 0.47 110.537 -178.48 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 573' ' ' VAL . . . . . 0.545 HG23 ' O ' ' A' ' 569' ' ' ALA . 91.4 t -59.77 -46.46 93.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.902 0.382 . . . . 0.34 110.079 177.302 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 574' ' ' GLN . . . . . 0.411 ' HG3' ' O ' ' A' ' 570' ' ' GLN . 77.0 mt-30 -61.19 -38.37 86.28 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.193 -0.458 . . . . 2.09 110.859 178.888 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 575' ' ' TYR . . . . . . . . . . . . . 71.6 t80 -70.5 -53.96 14.16 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.086 -0.506 . . . . 0.48 110.993 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 576' ' ' TYR . . . . . 0.528 ' HH ' ' HE2' ' A' ' 544' ' ' PHE . 80.0 m-85 -74.75 -14.17 60.68 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 113.246 0.832 . . . . 0.36 113.246 -172.774 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 577' ' ' GLN . . . . . 0.476 ' HG3' ' O ' ' A' ' 573' ' ' VAL . 82.7 mt-30 -74.36 -40.61 62.02 Favored 'General case' 0 C--N 1.323 -0.568 0 C-N-CA 120.077 -0.649 . . . . 1.89 109.889 173.326 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 578' ' ' GLU . . . . . . . . . . . . . 8.3 mm-40 -86.39 -37.55 18.28 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.147 -0.479 . . . . 2.14 110.949 178.872 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 579' ' ' LYS . . . . . 0.461 ' O ' ' HA ' ' A' ' 576' ' ' TYR . 9.5 mtpm? -128.55 87.1 55.95 Favored Pre-proline 0 C--N 1.326 -0.445 0 N-CA-C 109.955 -0.387 . . . . 2.46 109.955 175.483 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 580' ' ' PRO . . . . . . . . . . . . . 32.8 Cg_endo -64.09 160.2 39.19 Favored 'Trans proline' 0 C--O 1.233 0.273 0 C-N-CA 122.638 2.225 . . . . 0.37 112.243 -179.503 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 581' ' ' ALA . . . . . 0.463 ' HB2' ' CE1' ' A' ' 576' ' ' TYR . . . -91.4 134.69 34.41 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.194 -0.457 . . . . 0.27 110.006 -179.428 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 582' ' ' ILE . . . . . . . . . . . . . 47.0 mt -103.04 118.59 50.22 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.799 0 CA-C-O 120.842 0.353 . . . . 0.51 111.219 -175.8 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 583' ' ' ILE . . . . . 0.503 ' CG1' HD11 ' A' ' 588' ' ' LEU . 36.2 mm -125.91 112.04 29.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 N-CA-C 109.534 -0.543 . . . . 0.51 109.534 173.413 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 584' ' ' ASN . . . . . . . . . . . . . 94.8 m-20 50.58 42.6 27.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.868 0.842 . . . . 1.1 111.119 -179.885 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 585' ' ' GLY . . . . . . . . . . . . . . . 83.4 1.48 90.28 Favored Glycine 0 N--CA 1.445 -0.752 0 CA-C-N 114.628 -1.169 . . . . 0.44 114.392 175.941 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 586' ' ' GLU . . . . . . . . . . . . . 30.6 mm-40 -100.83 125.61 47.36 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 118.041 0.921 . . . . 1.79 111.134 177.395 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 587' ' ' LYS . . . . . . . . . . . . . 44.7 mmtm -74.55 115.21 13.83 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-N 115.538 -0.755 . . . . 1.67 110.175 171.955 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 588' ' ' LEU . . . . . 0.554 HD12 HD11 ' A' ' 540' ' ' LEU . 54.8 mt -83.58 141.2 31.75 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 120.812 0.339 . . . . 0.24 111.156 -178.242 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 589' ' ' LEU . . . . . . . . . . . . . 58.1 tp -112.87 112.08 23.31 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.833 -0.622 . . . . 0.38 110.901 -179.149 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 590' ' ' ILE . . . . . 0.459 HD12 ' CD2' ' A' ' 576' ' ' TYR . 17.7 mt -103.07 120.94 53.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 N-CA-C 110.015 -0.365 . . . . 0.26 110.015 175.459 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 591' ' ' ARG . . . . . . . . . . . . . 74.6 mtp180 -146.91 165.55 29.43 Favored 'General case' 0 N--CA 1.462 0.151 0 CA-C-O 120.895 0.378 . . . . 2.62 110.413 -176.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 592' ' ' MET . . . . . . . . . . . . . 53.2 mtt -82.34 151.14 26.83 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.228 -0.442 . . . . 0.34 110.699 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 593' ' ' SER . . . . . 0.697 ' OG ' ' HB ' ' A' ' 521' ' ' VAL . 58.3 p -83.52 129.73 34.98 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.856 -0.611 . . . . 1.37 111.737 -176.696 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 594' ' ' THR . . . . . 0.496 HG21 ' N7 ' ' B' ' 1' ' ' ADN . 18.6 p -91.64 -17.83 24.93 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.999 -0.546 . . . . 0.38 111.875 175.388 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 595' ' ' ARG . . . . . 0.408 HH11 ' HD3' ' A' ' 595' ' ' ARG . 44.7 mtp180 -102.99 -29.99 11.06 Favored 'General case' 0 CA--C 1.533 0.298 0 N-CA-C 112.921 0.711 . . . . 2.75 112.921 -171.42 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 596' ' ' TYR . . . . . . . . . . . . . 30.3 m-85 -125.26 145.6 49.92 Favored 'General case' 0 N--CA 1.468 0.435 0 N-CA-C 112.256 0.465 . . . . 0.65 112.256 -176.662 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 597' ' ' LYS . . . . . 0.454 ' HE3' ' OE1' ' A' ' 514' ' ' GLN . 37.1 mmtm -109.02 -11.27 14.98 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.711 -0.677 . . . . 2.18 112.456 -179.676 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 598' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -142.26 150.26 40.66 Favored 'General case' 0 C--N 1.324 -0.512 0 C-N-CA 120.237 -0.585 . . . . 0.95 111.396 -174.093 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 599' ' ' LEU . . . . . 0.617 HD21 HG13 ' A' ' 521' ' ' VAL . 58.0 mt -115.01 121.52 43.38 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.168 -0.924 . . . . 0.45 110.625 176.549 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 600' ' ' GLN . . . . . . . . . . . . . 29.4 tt0 -111.96 123.34 50.04 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.702 -0.681 . . . . 1.52 109.713 178.945 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 601' ' ' LEU . . . . . . . . . . . . . 93.7 mt -76.93 92.58 3.68 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.627 -0.261 . . . . 0.46 111.416 -176.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 602' ' ' LYS . . . . . . . . . . . . . 67.2 mttm -66.18 -32.43 73.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.338 0.59 . . . . 1.73 109.502 172.762 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 603' ' ' LYS . . . . . . . . . . . . . 74.6 mmtt -113.13 141.81 26.3 Favored Pre-proline 0 C--N 1.324 -0.509 0 CA-C-N 115.289 -0.869 . . . . 1.69 109.283 179.557 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 604' ' ' PRO . . . . . . . . . . . . . 17.2 Cg_exo -65.48 157.66 57.01 Favored 'Trans proline' 0 C--O 1.235 0.342 0 C-N-CA 122.477 2.118 . . . . 1.21 111.796 177.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 605' ' ' GLY . . . . . . . . . . . . . . . -122.43 -178.45 15.61 Favored Glycine 0 N--CA 1.438 -1.169 0 C-N-CA 120.989 -0.624 . . . . 1.23 111.939 -177.12 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 606' ' ' LYS . . . . . . . . . . . . . 81.4 mttt -107.24 163.07 13.33 Favored 'General case' 0 C--N 1.31 -1.119 0 CA-C-N 114.867 -0.666 . . . . 3.47 109.274 179.689 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 607' ' ' ASN . . . . . . . . . . . . . 25.8 t30 -58.16 121.32 10.41 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.966 0.412 . . . . 1.33 110.303 169.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 608' ' ' VAL . . . . . 0.609 HG11 ' HB ' ' A' ' 547' ' ' VAL . 69.3 t -86.31 -25.87 6.33 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-N 115.809 -0.632 . . . . 0.3 111.069 -176.132 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 609' ' ' ALA . . . . . . . . . . . . . . . -59.53 -33.68 71.69 Favored 'General case' 0 C--O 1.237 0.416 0 CA-C-O 121.371 0.605 . . . . 0.44 110.478 175.226 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 610' ' ' ALA . . . . . . . . . . . . . . . -65.39 -30.32 71.13 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.778 -0.646 . . . . 0.4 110.13 176.631 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 611' ' ' ILE . . . . . 0.454 ' CD1' HD12 ' A' ' 538' ' ' ILE . 76.8 mt -70.77 -29.49 38.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 115.65 -0.704 . . . . 0.25 109.801 179.416 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 612' ' ' ILE . . . . . 0.477 ' CG1' HD13 ' A' ' 542' ' ' LEU . 64.1 mt -61.02 -40.67 86.39 Favored 'Isoleucine or valine' 0 C--O 1.235 0.291 0 CA-C-O 121.279 0.561 . . . . 0.31 109.611 171.316 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 613' ' ' GLN . . . . . . . . . . . . . 91.1 mt-30 -64.08 -30.19 71.28 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.392 -0.822 . . . . 2.31 110.483 177.262 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 614' ' ' ASP . . . . . 0.453 ' HB2' ' O ' ' A' ' 611' ' ' ILE . 2.5 m-20 -64.86 -44.86 88.37 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-N 115.936 -0.575 . . . . 1.95 110.161 177.253 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 615' ' ' ILE . . . . . 0.574 HD11 ' HA ' ' A' ' 539' ' ' ASN . 81.1 mt -65.05 -43.13 95.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 115.899 -0.591 . . . . 0.35 110.323 178.538 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 616' ' ' HIS . . . . . . . . . . . . . 51.5 m170 -64.08 -37.82 88.82 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.558 -0.746 . . . . 1.26 111.392 179.805 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 617' ' ' SER . . . . . 0.401 ' O ' ' HB2' ' A' ' 618' ' ' GLN . 26.1 m -70.98 -23.11 62.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.51 -0.313 . . . . 1.18 110.498 176.424 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 618' ' ' GLN . . . . . 0.401 ' HB2' ' O ' ' A' ' 617' ' ' SER . 55.9 mt-30 74.57 163.09 0.26 Allowed 'General case' 0 N--CA 1.463 0.219 0 CA-C-N 115.214 -0.903 . . . . 4.68 110.869 -179.271 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 619' ' ' ARG . . . . . . . . . . . . . 70.7 mtp180 -132.55 88.12 2.49 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 115.816 -0.629 . . . . 7.77 109.829 178.935 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 620' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -124.89 148.83 48.1 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.695 -0.684 . . . . 7.92 110.301 -177.573 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 621' ' ' ARG . . . . . . . . . . . . . 8.5 tpt180 . . . . . 0 C--O 1.249 1.038 0 CA-C-O 118.692 -0.671 . . . . 11.0 109.54 178.687 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 1' ' ' ADN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 2' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.861 0 C3'-C2'-C1' 100.038 -1.625 . 0.0 '__' . 2.99 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 3' ' ' ' C' . . . . . 0.588 ' O2 ' ' HB3' ' A' ' 593' ' ' SER . . . . . . . . 0 O5'--C5' 1.425 -0.946 0 C3'-C2'-C1' 100.227 -1.414 . 0.145 2[ . 1.58 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 4' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.823 0 C3'-C2'-C1' 99.939 -1.735 . 0.0 OUTLIER . 1.15 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 5' ' ' ' U' . . . . . 0.577 " H4'" ' HA ' ' A' ' 553' ' ' MET . . . . . . . . 0 O5'--C5' 1.425 -0.966 0 C4'-C3'-C2' 104.301 1.601 . 0.0 OUTLIER alpha 1.33 . . . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 6' ' ' ' A' . . . . . 0.482 ' H2 ' " O5'" ' B' ' 5' ' ' ' U' . . . . . . . . 0 O5'--C5' 1.426 -0.901 0 O4'-C1'-N19 109.271 1.071 . 0.247 2[ . 4.23 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 510' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.741 0 N-CA-C 111.954 -0.459 . . . . 8.88 111.954 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 511' ' ' ALA . . . . . . . . . . . . . . . -80.85 112.5 18.29 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.98 0.419 . . . . 6.64 110.639 179.818 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 512' ' ' MET . . . . . . . . . . . . . 16.1 ptp -86.53 166.78 15.18 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.165 -0.471 . . . . 6.33 110.685 -179.327 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 513' ' ' ALA . . . . . . . . . . . . . . . 65.82 16.83 10.65 Favored 'General case' 0 N--CA 1.466 0.343 0 O-C-N 123.721 0.638 . . . . 4.2 111.567 -179.364 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 514' ' ' GLN . . . . . . . . . . . . . 14.5 mm100 -108.01 166.78 10.47 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.231 -0.441 . . . . 2.88 110.406 179.807 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 515' ' ' ARG . . . . . . . . . . . . . 92.5 mtt180 -109.58 148.42 31.31 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.188 -0.46 . . . . 4.0 109.948 -179.034 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 516' ' ' LYS . . . . . . . . . . . . . 33.8 mmtp -129.16 -18.16 3.73 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.18 -0.464 . . . . 1.89 110.624 -178.859 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 517' ' ' GLY . . . . . . . . . . . . . . . -68.18 -74.79 0.56 Allowed Glycine 0 N--CA 1.449 -0.489 0 C-N-CA 121.069 -0.586 . . . . 2.04 112.536 -177.724 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 518' ' ' ALA . . . . . . . . . . . . . . . -96.57 53.54 1.28 Allowed 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.069 0.461 . . . . 1.75 110.776 -179.378 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 519' ' ' GLY . . . . . . . . . . . . . . . 142.12 137.03 3.31 Favored Glycine 0 N--CA 1.447 -0.609 0 C-N-CA 120.833 -0.699 . . . . 0.67 112.234 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 520' ' ' ARG . . . . . . . . . . . . . 42.8 mtm-85 -141.37 134.14 28.76 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 109.6 -0.518 . . . . 2.22 109.6 173.113 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 521' ' ' VAL . . . . . 0.712 HG13 HD21 ' A' ' 599' ' ' LEU . 56.8 t -117.07 121.19 67.21 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.703 0 CA-C-O 120.99 0.424 . . . . 0.32 111.233 174.406 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 522' ' ' VAL . . . . . 0.501 ' HB ' ' O ' ' A' ' 561' ' ' LEU . 25.3 t -121.04 121.57 65.35 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.815 0 N-CA-C 107.942 -1.133 . . . . 0.22 107.942 175.657 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 523' ' ' HIS . . . . . 0.422 ' HB2' ' OG ' ' A' ' 593' ' ' SER . 58.9 t-80 -106.18 135.28 47.93 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.01 0.433 . . . . 0.44 110.056 -175.221 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 524' ' ' ILE . . . . . 0.46 HD11 HD22 ' A' ' 561' ' ' LEU . 33.3 mt -111.18 138.93 37.47 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.929 0 N-CA-C 108.45 -0.944 . . . . 0.19 108.45 177.713 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 525' ' ' CYS . . . . . 0.421 ' O ' ' HB2' ' A' ' 526' ' ' ASN . 0.0 OUTLIER -132.24 157.9 43.17 Favored 'General case' 0 C--N 1.318 -0.79 0 C-N-CA 120.873 -0.331 . . . . 1.17 111.033 -171.294 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 526' ' ' ASN . . . . . 0.421 ' HB2' ' O ' ' A' ' 525' ' ' CYS . 83.3 m-20 82.6 30.18 0.1 Allowed 'General case' 0 N--CA 1.469 0.495 0 O-C-N 124.447 1.092 . . . . 0.26 110.824 172.868 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 527' ' ' LEU . . . . . 0.408 ' HB3' ' SG ' ' A' ' 532' ' ' CYS . 81.8 mt -85.73 123.69 72.06 Favored Pre-proline 0 C--N 1.319 -0.723 0 N-CA-C 108.386 -0.968 . . . . 0.25 108.386 176.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 528' ' ' PRO . . . . . 0.406 ' HD3' ' HA ' ' A' ' 527' ' ' LEU . 7.6 Cg_exo -71.54 131.81 19.42 Favored 'Trans proline' 0 N--CA 1.456 -0.689 0 C-N-CA 121.039 1.159 . . . . 0.38 111.259 -178.425 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 529' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -65.85 138.51 57.93 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 109.524 -0.547 . . . . 1.6 109.524 177.794 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 530' ' ' GLY . . . . . . . . . . . . . . . 87.66 3.13 81.12 Favored Glycine 0 N--CA 1.443 -0.835 0 C-N-CA 120.185 -1.007 . . . . 0.48 110.596 -173.435 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 531' ' ' SER . . . . . . . . . . . . . 55.5 m -147.5 8.19 0.89 Allowed 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.186 -0.507 . . . . 1.08 109.817 -178.596 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 532' ' ' CYS . . . . . 0.488 ' HB2' ' HD2' ' A' ' 554' ' ' LYS . 70.0 m -89.88 86.11 6.55 Favored 'General case' 0 CA--C 1.516 -0.354 0 N-CA-C 108.764 -0.828 . . . . 0.25 108.764 179.013 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 533' ' ' THR . . . . . 0.419 ' O ' HG23 ' A' ' 537' ' ' VAL . 34.0 p -96.83 152.22 18.9 Favored 'General case' 0 C--N 1.317 -0.807 0 N-CA-C 108.889 -0.782 . . . . 0.35 108.889 -178.585 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 534' ' ' GLU . . . . . 0.736 ' HA ' HD11 ' A' ' 552' ' ' LEU . 15.5 mp0 -64.98 -33.8 76.91 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-O 121.602 0.715 . . . . 1.64 109.106 176.445 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 535' ' ' ASN . . . . . . . . . . . . . 61.7 t30 -65.46 -48.14 73.71 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 114.561 -1.199 . . . . 1.82 111.277 -176.364 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 536' ' ' ASP . . . . . . . . . . . . . 39.5 m-20 -69.35 -45.66 68.89 Favored 'General case' 0 N--CA 1.476 0.85 0 CA-C-O 121.293 0.568 . . . . 0.61 111.475 -172.808 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 537' ' ' VAL . . . . . 0.419 HG23 ' O ' ' A' ' 533' ' ' THR . 44.3 t -59.63 -48.48 87.25 Favored 'Isoleucine or valine' 0 C--O 1.243 0.714 0 CA-C-N 114.862 -1.063 . . . . 0.15 110.024 -178.087 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 538' ' ' ILE . . . . . 0.747 HD11 ' CG ' ' A' ' 550' ' ' TYR . 33.0 mt -69.04 -32.54 54.73 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.894 0 CA-C-N 115.32 -0.855 . . . . 0.23 111.611 176.139 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 539' ' ' ASN . . . . . 0.455 ' HA ' HD11 ' A' ' 615' ' ' ILE . 95.2 m-20 -57.94 -25.59 61.13 Favored 'General case' 0 CA--C 1.516 -0.344 0 N-CA-C 109.804 -0.443 . . . . 0.25 109.804 175.398 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 540' ' ' LEU . . . . . 0.432 HD11 HD12 ' A' ' 588' ' ' LEU . 89.7 mt -75.02 -42.59 57.02 Favored 'General case' 0 N--CA 1.45 -0.455 0 N-CA-C 109.874 -0.417 . . . . 0.27 109.874 173.604 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 541' ' ' GLY . . . . . 0.606 ' HA2' ' SD ' ' A' ' 572' ' ' MET . . . -69.25 -52.37 22.85 Favored Glycine 0 CA--C 1.525 0.712 0 N-CA-C 115.66 1.024 . . . . 0.19 115.66 -178.366 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 542' ' ' LEU . . . . . 0.501 ' HA ' ' O ' ' A' ' 545' ' ' GLY . 36.3 mt -55.83 -46.04 99.8 Favored Pre-proline 0 C--N 1.321 -0.65 0 N-CA-C 114.855 1.428 . . . . 0.2 114.855 -168.833 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 543' ' ' PRO . . . . . 0.45 ' HG3' HD13 ' A' ' 615' ' ' ILE . 42.4 Cg_exo -61.14 -22.07 73.56 Favored 'Trans proline' 0 C--N 1.349 0.586 0 C-N-CA 121.94 1.76 . . . . 0.23 113.336 -177.551 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 544' ' ' PHE . . . . . 0.475 ' HB2' ' HE2' ' A' ' 572' ' ' MET . 96.0 m-85 -99.95 -16.15 18.07 Favored 'General case' 0 C--N 1.33 -0.255 0 O-C-N 122.041 -0.412 . . . . 0.33 111.283 176.765 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 545' ' ' GLY . . . . . 0.501 ' O ' ' HA ' ' A' ' 542' ' ' LEU . . . 175.38 157.7 17.38 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.424 -0.894 . . . . 0.44 112.546 -178.869 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 546' ' ' LYS . . . . . . . . . . . . . 56.0 tptt -65.73 129.79 41.0 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.23 0.538 . . . . 2.07 111.665 -178.44 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 547' ' ' VAL . . . . . 0.591 HG21 HG23 ' A' ' 538' ' ' ILE . 81.8 t -94.53 116.0 34.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-N 115.254 -0.884 . . . . 0.2 110.115 176.24 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 548' ' ' THR . . . . . . . . . . . . . 22.7 p -93.65 -36.34 12.4 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.471 -0.331 . . . . 0.31 111.728 179.236 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 549' ' ' ASN . . . . . . . . . . . . . 88.4 m-20 -143.5 162.32 36.14 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.083 -0.508 . . . . 1.26 110.636 177.893 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 550' ' ' TYR . . . . . 0.747 ' CG ' HD11 ' A' ' 538' ' ' ILE . 4.6 p90 -162.31 154.15 18.65 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.762 -0.654 . . . . 0.31 109.651 -179.933 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 551' ' ' ILE . . . . . 0.501 ' HB ' ' HB2' ' A' ' 560' ' ' PHE . 41.2 mt -140.54 123.79 16.85 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.728 0 N-CA-C 108.144 -1.058 . . . . 0.22 108.144 -178.686 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 552' ' ' LEU . . . . . 0.736 HD11 ' HA ' ' A' ' 534' ' ' GLU . 20.3 mt -107.63 124.86 50.6 Favored 'General case' 0 C--N 1.311 -1.088 0 C-N-CA 119.298 -0.961 . . . . 0.43 110.272 -179.348 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 553' ' ' MET . . . . . 0.577 ' HA ' " H4'" ' B' ' 5' ' ' ' U' . 27.2 mtp -107.26 80.94 1.47 Allowed 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 108.326 -0.99 . . . . 1.03 108.326 -177.758 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 554' ' ' LYS . . . . . 0.488 ' HD2' ' HB2' ' A' ' 532' ' ' CYS . 22.8 mmtp -54.0 -29.11 41.93 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 114.862 -1.063 . . . . 1.03 112.498 176.706 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 555' ' ' SER . . . . . . . . . . . . . 63.6 p -69.03 -43.0 75.59 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 111.911 0.337 . . . . 0.51 111.911 -174.259 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 556' ' ' THR . . . . . 0.439 ' O ' ' HG3' ' A' ' 558' ' ' GLN . 41.2 p -102.82 7.93 39.39 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 112.81 0.67 . . . . 0.45 112.81 -174.695 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 557' ' ' ASN . . . . . . . . . . . . . 43.7 m-80 59.14 39.64 22.77 Favored 'General case' 0 N--CA 1.47 0.542 0 CA-C-O 121.595 0.712 . . . . 1.28 110.155 -176.093 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 558' ' ' GLN . . . . . 0.439 ' HG3' ' O ' ' A' ' 556' ' ' THR . 77.1 mt-30 -138.2 167.28 22.16 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.21 -0.905 . . . . 0.84 109.758 -175.238 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 559' ' ' ALA . . . . . 0.42 ' HB1' HD23 ' A' ' 552' ' ' LEU . . . -159.11 166.25 32.01 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.242 0.544 . . . . 0.16 112.102 177.859 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 560' ' ' PHE . . . . . 0.501 ' HB2' ' HB ' ' A' ' 551' ' ' ILE . 89.1 m-85 -120.84 147.47 45.34 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.452 -0.795 . . . . 0.35 110.439 174.423 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 561' ' ' LEU . . . . . 0.553 HD21 ' HA3' ' A' ' 541' ' ' GLY . 57.3 tp -135.02 119.19 17.64 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 115.478 -0.783 . . . . 0.2 109.672 -179.913 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 562' ' ' GLU . . . . . 0.434 ' HB2' HD12 ' A' ' 599' ' ' LEU . 33.3 tt0 -99.23 122.26 42.17 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.605 0.716 . . . . 2.09 110.222 179.124 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 563' ' ' MET . . . . . 0.681 ' SD ' ' HA ' ' A' ' 569' ' ' ALA . 34.4 mtt -108.73 146.8 32.95 Favored 'General case' 0 C--N 1.313 -0.979 0 CA-C-N 114.889 -1.051 . . . . 0.39 109.336 -176.844 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 564' ' ' ALA . . . . . . . . . . . . . . . -63.48 -24.04 67.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.631 -0.713 . . . . 0.5 112.3 -170.864 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 565' ' ' TYR . . . . . . . . . . . . . 76.6 m-85 -145.3 156.48 43.83 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.018 0.437 . . . . 1.15 110.808 -178.675 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 566' ' ' THR . . . . . . . . . . . . . 13.3 t -67.74 -27.17 66.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.344 -0.843 . . . . 0.57 110.241 -179.125 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 567' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -58.1 -33.68 69.36 Favored 'General case' 0 C--O 1.232 0.17 0 CA-C-N 115.665 -0.698 . . . . 0.89 110.861 178.209 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 568' ' ' ALA . . . . . 0.625 ' O ' ' HG3' ' A' ' 572' ' ' MET . . . -74.52 -42.48 58.83 Favored 'General case' 0 N--CA 1.448 -0.543 0 CA-C-N 115.828 -0.624 . . . . 0.26 110.352 -177.688 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 569' ' ' ALA . . . . . 0.681 ' HA ' ' SD ' ' A' ' 563' ' ' MET . . . -61.95 -45.34 94.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.708 -0.678 . . . . 0.24 111.822 -174.572 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 570' ' ' GLN . . . . . . . . . . . . . 28.6 pt20 -68.9 -36.58 78.21 Favored 'General case' 0 C--N 1.327 -0.393 0 C-N-CA 120.564 -0.455 . . . . 1.24 110.5 -177.625 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 571' ' ' ALA . . . . . . . . . . . . . . . -65.29 -43.12 92.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.207 -0.451 . . . . 0.31 111.028 -178.212 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 572' ' ' MET . . . . . 0.625 ' HG3' ' O ' ' A' ' 568' ' ' ALA . 25.4 mtt -69.0 -44.24 73.19 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.421 -0.354 . . . . 0.47 110.516 -179.577 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 573' ' ' VAL . . . . . 0.683 ' O ' ' HG2' ' A' ' 577' ' ' GLN . 72.6 t -59.91 -48.67 86.86 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.183 0 C-N-CA 120.983 -0.287 . . . . 0.34 110.33 179.46 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 574' ' ' GLN . . . . . . . . . . . . . 18.0 mm-40 -62.13 -36.23 81.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.319 -0.401 . . . . 2.09 111.032 -179.838 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 575' ' ' TYR . . . . . . . . . . . . . 85.5 t80 -66.41 -52.04 50.67 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.045 -0.525 . . . . 0.48 110.339 -179.364 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 576' ' ' TYR . . . . . 0.627 ' CE1' ' HB2' ' A' ' 581' ' ' ALA . 67.3 m-85 -76.79 -13.05 60.06 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 112.826 0.676 . . . . 0.36 112.826 -176.815 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 577' ' ' GLN . . . . . 0.683 ' HG2' ' O ' ' A' ' 573' ' ' VAL . 81.7 mm-40 -69.12 -42.69 75.71 Favored 'General case' 0 C--N 1.327 -0.396 0 C-N-CA 120.432 -0.507 . . . . 1.89 109.67 170.718 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 578' ' ' GLU . . . . . 0.498 ' HB2' ' HD2' ' A' ' 579' ' ' LYS . 70.2 mt-10 -86.46 -39.89 15.86 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.092 -0.504 . . . . 2.14 111.188 178.528 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 579' ' ' LYS . . . . . 0.498 ' HD2' ' HB2' ' A' ' 578' ' ' GLU . 6.5 mptt -131.82 87.11 46.13 Favored Pre-proline 0 C--N 1.329 -0.322 0 N-CA-C 109.82 -0.437 . . . . 2.46 109.82 179.553 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 580' ' ' PRO . . . . . . . . . . . . . 32.8 Cg_endo -64.52 160.82 37.84 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.593 2.195 . . . . 0.37 112.554 -178.031 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 581' ' ' ALA . . . . . 0.627 ' HB2' ' CE1' ' A' ' 576' ' ' TYR . . . -91.32 132.06 36.41 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 109.383 -0.599 . . . . 0.27 109.383 177.699 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 582' ' ' ILE . . . . . . . . . . . . . 71.7 mt -108.15 120.74 60.05 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.881 0 CA-C-O 121.016 0.436 . . . . 0.51 111.503 -173.792 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 583' ' ' ILE . . . . . . . . . . . . . 31.8 mm -123.19 117.84 52.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 115.645 -0.707 . . . . 0.51 109.097 175.955 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 584' ' ' ASN . . . . . . . . . . . . . 80.8 m-20 59.8 32.38 21.3 Favored 'General case' 0 N--CA 1.467 0.376 0 CA-C-O 121.17 0.51 . . . . 1.1 110.269 -177.068 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 585' ' ' GLY . . . . . . . . . . . . . . . 81.83 0.93 90.02 Favored Glycine 0 N--CA 1.447 -0.626 0 C-N-CA 120.914 -0.66 . . . . 0.44 112.98 -179.776 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 586' ' ' GLU . . . . . . . . . . . . . 35.0 mm-40 -102.24 126.67 49.29 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.887 0.344 . . . . 1.79 110.758 -177.791 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 587' ' ' LYS . . . . . . . . . . . . . 95.1 mttt -74.75 125.85 29.63 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.912 -0.586 . . . . 1.67 111.79 178.614 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 588' ' ' LEU . . . . . 0.432 HD12 HD11 ' A' ' 540' ' ' LEU . 43.1 mt -88.05 140.83 29.09 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.993 -0.549 . . . . 0.24 110.497 178.671 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 589' ' ' LEU . . . . . . . . . . . . . 42.2 tp -112.47 111.54 22.45 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.131 -0.486 . . . . 0.38 110.928 -179.33 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 590' ' ' ILE . . . . . 0.474 HD12 ' CD2' ' A' ' 576' ' ' TYR . 17.2 mt -101.34 125.51 55.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 N-CA-C 110.191 -0.3 . . . . 0.26 110.191 175.518 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 591' ' ' ARG . . . . . . . . . . . . . 31.2 mtp180 -147.63 164.11 34.53 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.346 -0.388 . . . . 2.62 110.55 -178.298 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 592' ' ' MET . . . . . . . . . . . . . 65.4 mtt -82.34 140.42 33.54 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 109.234 -0.654 . . . . 0.34 109.234 176.567 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 593' ' ' SER . . . . . 0.588 ' HB3' ' O2 ' ' B' ' 3' ' ' ' C' . 23.6 m -87.25 136.82 32.79 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.158 0.504 . . . . 1.37 111.647 -173.784 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 594' ' ' THR . . . . . . . . . . . . . 18.8 p -91.57 -13.38 32.11 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.017 -0.992 . . . . 0.38 112.886 -175.276 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 595' ' ' ARG . . . . . 0.437 ' HD2' " O2'" ' B' ' 3' ' ' ' C' . 96.3 mtt180 -102.22 -28.94 12.0 Favored 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 112.724 0.639 . . . . 2.75 112.724 -170.315 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 596' ' ' TYR . . . . . . . . . . . . . 87.9 m-85 -127.9 148.92 50.5 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.747 0.308 . . . . 0.65 111.479 -178.22 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 597' ' ' LYS . . . . . . . . . . . . . 1.5 mtmt -110.77 -6.37 14.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.727 -0.67 . . . . 2.18 112.769 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 598' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -142.45 150.51 40.67 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.101 0.477 . . . . 0.95 110.936 -179.119 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 599' ' ' LEU . . . . . 0.712 HD21 HG13 ' A' ' 521' ' ' VAL . 80.5 mt -118.62 121.62 40.61 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.29 -0.868 . . . . 0.45 110.745 176.594 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 600' ' ' GLN . . . . . . . . . . . . . 25.2 tt0 -114.16 129.9 56.61 Favored 'General case' 0 C--N 1.32 -0.676 0 N-CA-C 109.392 -0.596 . . . . 1.52 109.392 177.408 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 601' ' ' LEU . . . . . . . . . . . . . 39.2 mt -78.82 94.92 5.25 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.037 0.446 . . . . 0.46 110.813 -179.369 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 602' ' ' LYS . . . . . . . . . . . . . 56.0 mtpt -77.64 -24.76 49.4 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.744 -0.662 . . . . 1.73 109.8 175.35 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 603' ' ' LYS . . . . . 0.479 ' HB2' ' N3 ' ' B' ' 5' ' ' ' U' . 12.3 mptt -120.74 127.66 26.15 Favored Pre-proline 0 C--N 1.325 -0.472 0 CA-C-N 115.363 -0.835 . . . . 1.69 109.543 172.468 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 604' ' ' PRO . . . . . . . . . . . . . 44.2 Cg_endo -67.82 165.79 26.64 Favored 'Trans proline' 0 C--O 1.235 0.36 0 C-N-CA 122.833 2.355 . . . . 1.21 112.517 -178.678 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 605' ' ' GLY . . . . . . . . . . . . . . . -138.08 -178.35 16.04 Favored Glycine 0 N--CA 1.441 -1.03 0 C-N-CA 120.999 -0.619 . . . . 1.23 112.225 -177.523 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 606' ' ' LYS . . . . . . . . . . . . . 54.3 mttp -79.61 161.34 25.97 Favored 'General case' 0 C--N 1.316 -0.88 0 N-CA-C 109.42 -0.585 . . . . 3.47 109.42 176.866 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 607' ' ' ASN . . . . . . . . . . . . . 47.8 t-20 -64.33 127.14 30.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.041 0.448 . . . . 1.33 110.587 178.067 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 608' ' ' VAL . . . . . 0.575 HG13 HG21 ' A' ' 538' ' ' ILE . 98.5 t -75.4 -21.2 16.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-N 115.511 -0.768 . . . . 0.3 111.293 -177.397 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 609' ' ' ALA . . . . . . . . . . . . . . . -65.21 -37.83 88.54 Favored 'General case' 0 C--O 1.236 0.363 0 CA-C-O 121.283 0.563 . . . . 0.44 110.322 177.148 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 610' ' ' ALA . . . . . . . . . . . . . . . -62.9 -29.84 71.08 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.502 -0.772 . . . . 0.4 109.987 176.635 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 611' ' ' ILE . . . . . 0.525 ' CD1' HD12 ' A' ' 538' ' ' ILE . 66.0 mt -70.52 -32.98 51.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 115.415 -0.812 . . . . 0.25 109.808 -179.556 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 612' ' ' ILE . . . . . 0.48 HG12 HD13 ' A' ' 542' ' ' LEU . 64.2 mt -60.37 -44.09 95.24 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.196 0 CA-C-O 121.141 0.496 . . . . 0.31 109.775 173.803 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 613' ' ' GLN . . . . . . . . . . . . . 12.6 mm100 -63.88 -30.37 71.47 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.845 -0.616 . . . . 2.31 110.616 178.75 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 614' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -69.07 -33.58 73.78 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.548 -0.751 . . . . 1.95 110.914 178.232 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 615' ' ' ILE . . . . . 0.455 HD11 ' HA ' ' A' ' 539' ' ' ASN . 83.8 mt -72.95 -41.79 60.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-N 116.278 -0.419 . . . . 0.35 110.714 177.433 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 616' ' ' HIS . . . . . . . . . . . . . 61.1 m80 -69.49 -32.83 71.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.01 -0.541 . . . . 1.26 111.698 -179.89 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 617' ' ' SER . . . . . . . . . . . . . 10.2 p -70.56 -21.9 62.65 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 109.402 -0.592 . . . . 1.18 109.402 172.302 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 618' ' ' GLN . . . . . . . . . . . . . 90.8 mt-30 81.98 5.86 1.13 Allowed 'General case' 0 N--CA 1.466 0.344 0 CA-C-N 114.585 -1.188 . . . . 4.68 111.5 172.888 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 619' ' ' ARG . . . . . . . . . . . . . 27.8 mmm180 58.64 -167.81 0.15 Allowed 'General case' 0 C--O 1.233 0.236 0 O-C-N 123.601 0.563 . . . . 7.77 111.36 178.342 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 620' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -145.99 77.93 1.51 Allowed 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.876 -0.602 . . . . 7.92 109.386 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 621' ' ' ARG . . . . . . . . . . . . . 34.3 ptt180 . . . . . 0 C--O 1.248 0.977 0 CA-C-O 118.006 -0.997 . . . . 11.0 111.294 -178.864 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 1' ' ' ADN . . . . . 0.541 " H2'" ' C6 ' ' B' ' 2' ' ' ' U' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 2' ' ' ' U' . . . . . 0.541 ' C6 ' " H2'" ' B' ' 1' ' ' ADN . . . . . . . . 0 O5'--C5' 1.427 -0.83 0 C3'-C2'-C1' 100.033 -1.63 . 0.0 '__' . 2.99 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 3' ' ' ' C' . . . . . 0.646 ' N3 ' ' HA ' ' A' ' 593' ' ' SER . . . . . . . . 0 O5'--C5' 1.425 -0.954 0 C4'-C3'-C2' 103.902 1.202 . 0.024 2[ . 1.58 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 4' ' ' ' U' . . . . . 0.427 ' O2 ' ' H5 ' ' B' ' 5' ' ' ' U' . . . . . . . . 0 O5'--C5' 1.423 -1.082 0 C3'-C2'-C1' 99.906 -1.771 . 0.0 OUTLIER . 1.15 . . . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 5' ' ' ' U' . . . . . 0.869 " H4'" ' HA ' ' A' ' 553' ' ' MET . . . . . . . . 0 O5'--C5' 1.425 -0.95 0 C4'-C3'-C2' 104.129 1.429 . 0.0 OUTLIER alpha 1.33 . . . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 6' ' ' ' A' . . . . . 0.409 ' OP2' ' C8 ' ' B' ' 6' ' ' ' A' . . . . . . . . 0 O5'--C5' 1.426 -0.886 0 C3'-C2'-C1' 99.722 -1.975 . 0.0 OUTLIER gamma 4.23 . . . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 510' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.57 0 N-CA-C 111.627 -0.589 . . . . 8.88 111.627 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 511' ' ' ALA . . . . . 0.432 ' O ' ' HB3' ' A' ' 512' ' ' MET . . . -131.38 -68.38 0.66 Allowed 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.939 0.37 . . . . 6.64 111.069 -179.544 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 512' ' ' MET . . . . . 0.432 ' HB3' ' O ' ' A' ' 511' ' ' ALA . 51.2 ttp 69.96 127.49 0.03 OUTLIER 'General case' 0 N--CA 1.468 0.45 0 O-C-N 123.803 0.69 . . . . 6.33 110.951 -176.323 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 513' ' ' ALA . . . . . . . . . . . . . . . -71.62 101.75 2.59 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.925 -0.58 . . . . 4.2 110.723 179.617 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 514' ' ' GLN . . . . . . . . . . . . . 78.1 mt-30 -74.7 -176.66 2.9 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.512 -0.767 . . . . 2.88 110.763 177.259 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 515' ' ' ARG . . . . . . . . . . . . . 91.9 mtt180 -58.01 120.17 8.08 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 110.179 -0.304 . . . . 4.0 110.179 177.153 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 516' ' ' LYS . . . . . 0.436 ' O ' ' HB ' ' A' ' 566' ' ' THR . 38.2 mmtm -140.06 48.43 1.78 Allowed 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.307 0.575 . . . . 1.89 109.742 -178.284 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 517' ' ' GLY . . . . . . . . . . . . . . . -82.48 -72.96 1.24 Allowed Glycine 0 N--CA 1.45 -0.394 0 CA-C-N 115.682 -0.69 . . . . 2.04 112.078 -178.256 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 518' ' ' ALA . . . . . . . . . . . . . . . -102.92 -21.17 14.02 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.345 0.593 . . . . 1.75 110.073 177.138 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 519' ' ' GLY . . . . . . . . . . . . . . . -110.59 106.5 2.09 Favored Glycine 0 N--CA 1.446 -0.675 0 CA-C-N 114.75 -1.114 . . . . 0.67 110.789 177.556 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 520' ' ' ARG . . . . . 0.412 ' HG2' ' HB3' ' A' ' 516' ' ' LYS . 18.7 mtm-85 -124.14 133.76 53.5 Favored 'General case' 0 N--CA 1.447 -0.61 0 CA-C-O 121.188 0.518 . . . . 2.22 110.988 -178.546 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 521' ' ' VAL . . . . . 0.644 HG13 HD21 ' A' ' 599' ' ' LEU . 61.0 t -118.95 121.6 67.24 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.75 0 CA-C-N 115.394 -0.821 . . . . 0.32 109.978 166.457 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 522' ' ' VAL . . . . . 0.556 ' HB ' ' O ' ' A' ' 561' ' ' LEU . 25.4 t -119.67 121.16 65.52 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.955 0 N-CA-C 107.705 -1.22 . . . . 0.22 107.705 175.495 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 523' ' ' HIS . . . . . . . . . . . . . 50.5 t-80 -106.21 131.44 53.45 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-O 121.167 0.508 . . . . 0.44 110.678 -171.931 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 524' ' ' ILE . . . . . 0.471 HD11 HD22 ' A' ' 561' ' ' LEU . 26.9 mt -111.09 137.19 44.61 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.96 0 N-CA-C 108.295 -1.002 . . . . 0.19 108.295 177.556 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 525' ' ' CYS . . . . . 0.465 ' SG ' ' HB3' ' A' ' 589' ' ' LEU . 7.5 p -134.4 163.62 29.27 Favored 'General case' 0 C--N 1.313 -1.003 0 C-N-CA 120.491 -0.484 . . . . 1.17 111.781 -175.146 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 526' ' ' ASN . . . . . 0.426 ' HB2' ' O ' ' A' ' 525' ' ' CYS . 80.4 m-20 85.47 29.95 0.05 OUTLIER 'General case' 0 N--CA 1.466 0.352 0 O-C-N 124.889 1.368 . . . . 0.26 110.758 174.775 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 527' ' ' LEU . . . . . . . . . . . . . 80.9 mt -83.77 123.75 75.77 Favored Pre-proline 0 C--N 1.324 -0.542 0 N-CA-C 109.136 -0.69 . . . . 0.25 109.136 178.133 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 528' ' ' PRO . . . . . 0.487 ' HG2' ' HB2' ' A' ' 531' ' ' SER . 19.6 Cg_endo -70.65 133.42 23.9 Favored 'Trans proline' 0 N--CA 1.455 -0.759 0 C-N-CA 121.2 1.266 . . . . 0.38 111.485 179.609 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 529' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -67.84 137.93 55.7 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 108.964 -0.754 . . . . 1.6 108.964 179.76 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 530' ' ' GLY . . . . . . . . . . . . . . . 88.22 4.55 77.53 Favored Glycine 0 N--CA 1.445 -0.746 0 C-N-CA 120.064 -1.065 . . . . 0.48 110.539 -172.059 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 531' ' ' SER . . . . . 0.487 ' HB2' ' HG2' ' A' ' 528' ' ' PRO . 68.9 m -149.24 6.53 0.67 Allowed 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.047 -0.576 . . . . 1.08 109.882 -174.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 532' ' ' CYS . . . . . . . . . . . . . 61.1 m -89.44 84.45 6.42 Favored 'General case' 0 CA--C 1.516 -0.346 0 N-CA-C 109.189 -0.671 . . . . 0.25 109.189 179.505 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 533' ' ' THR . . . . . 0.525 ' O ' HG23 ' A' ' 537' ' ' VAL . 28.8 p -99.53 152.14 20.36 Favored 'General case' 0 N--CA 1.443 -0.784 0 N-CA-C 108.695 -0.854 . . . . 0.35 108.695 -178.879 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 534' ' ' GLU . . . . . 0.527 ' N ' HD11 ' A' ' 552' ' ' LEU . 37.2 mt-10 -66.47 -34.38 77.8 Favored 'General case' 0 C--N 1.319 -0.758 0 N-CA-C 108.793 -0.818 . . . . 1.64 108.793 176.683 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 535' ' ' ASN . . . . . . . . . . . . . 66.0 t30 -63.28 -49.13 75.28 Favored 'General case' 0 C--O 1.214 -0.764 0 CA-C-N 114.553 -1.203 . . . . 1.82 111.202 -176.338 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 536' ' ' ASP . . . . . . . . . . . . . 49.6 m-20 -69.48 -43.03 74.02 Favored 'General case' 0 N--CA 1.474 0.764 0 CA-C-O 121.428 0.632 . . . . 0.61 111.156 -172.929 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 537' ' ' VAL . . . . . 0.525 HG23 ' O ' ' A' ' 533' ' ' THR . 38.7 t -59.96 -47.7 90.67 Favored 'Isoleucine or valine' 0 C--O 1.242 0.681 0 CA-C-N 114.964 -1.016 . . . . 0.15 109.921 -179.597 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 538' ' ' ILE . . . . . 0.667 HD11 ' CG ' ' A' ' 550' ' ' TYR . 71.5 mt -68.44 -33.44 60.22 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.752 0 CA-C-N 115.129 -0.941 . . . . 0.23 111.501 176.065 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 539' ' ' ASN . . . . . 0.578 ' HA ' HD11 ' A' ' 615' ' ' ILE . 12.2 m120 -58.23 -27.73 64.22 Favored 'General case' 0 CA--C 1.514 -0.438 0 N-CA-C 110.366 -0.235 . . . . 0.25 110.366 177.214 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 540' ' ' LEU . . . . . 0.576 HD11 HD12 ' A' ' 588' ' ' LEU . 84.7 mt -75.86 -41.08 53.31 Favored 'General case' 0 C--N 1.324 -0.514 0 C-N-CA 120.622 -0.431 . . . . 0.27 110.351 173.765 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 541' ' ' GLY . . . . . 0.523 ' HA3' HD21 ' A' ' 561' ' ' LEU . . . -64.96 -52.4 42.26 Favored Glycine 0 CA--C 1.523 0.565 0 N-CA-C 115.44 0.936 . . . . 0.19 115.44 -179.751 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 542' ' ' LEU . . . . . 0.491 ' HB2' ' CD1' ' A' ' 615' ' ' ILE . 62.8 mt -56.63 -46.34 99.84 Favored Pre-proline 0 C--N 1.322 -0.606 0 N-CA-C 114.999 1.481 . . . . 0.2 114.999 -168.428 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 543' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -57.87 -26.6 74.88 Favored 'Trans proline' 0 C--N 1.35 0.612 0 C-N-CA 122.138 1.892 . . . . 0.23 113.984 -175.931 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 544' ' ' PHE . . . . . . . . . . . . . 97.0 m-85 -100.01 -16.46 17.91 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-O 120.835 0.35 . . . . 0.33 111.174 178.931 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 545' ' ' GLY . . . . . 0.475 ' O ' ' HA ' ' A' ' 542' ' ' LEU . . . 178.31 154.53 12.72 Favored Glycine 0 N--CA 1.447 -0.579 0 C-N-CA 120.765 -0.731 . . . . 0.44 112.057 179.79 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 546' ' ' LYS . . . . . . . . . . . . . 40.3 ttmt -66.42 131.34 45.85 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 121.04 0.448 . . . . 2.07 111.17 -177.191 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 547' ' ' VAL . . . . . 0.578 HG21 HG23 ' A' ' 538' ' ' ILE . 69.1 t -89.56 115.32 28.97 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-N 115.719 -0.673 . . . . 0.2 110.448 177.53 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 548' ' ' THR . . . . . . . . . . . . . 25.8 p -93.44 -35.23 13.09 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.252 -0.431 . . . . 0.31 111.251 -179.851 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 549' ' ' ASN . . . . . . . . . . . . . 91.9 m-20 -142.51 160.05 41.05 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.128 -0.487 . . . . 1.26 110.642 178.643 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 550' ' ' TYR . . . . . 0.667 ' CG ' HD11 ' A' ' 538' ' ' ILE . 4.8 p90 -161.13 151.46 17.74 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.637 -0.71 . . . . 0.31 109.228 -178.595 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 551' ' ' ILE . . . . . 0.639 HG23 ' C2 ' ' B' ' 5' ' ' ' U' . 62.5 mt -145.5 126.91 8.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 N-CA-C 108.365 -0.976 . . . . 0.22 108.365 -177.027 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 552' ' ' LEU . . . . . 0.527 HD11 ' N ' ' A' ' 534' ' ' GLU . 22.2 mt -106.26 124.85 50.23 Favored 'General case' 0 C--N 1.315 -0.903 0 C-N-CA 120.006 -0.678 . . . . 0.43 110.923 -178.39 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 553' ' ' MET . . . . . 0.869 ' HA ' " H4'" ' B' ' 5' ' ' ' U' . 42.7 mtp -108.37 80.28 1.34 Allowed 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 108.82 -0.807 . . . . 1.03 108.82 -179.332 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 554' ' ' LYS . . . . . . . . . . . . . 26.3 mmtp -54.03 -29.49 43.89 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 114.478 -1.237 . . . . 1.03 113.011 175.776 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 555' ' ' SER . . . . . . . . . . . . . 65.7 p -69.33 -44.63 71.27 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 120.729 0.3 . . . . 0.51 111.699 -173.37 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 556' ' ' THR . . . . . . . . . . . . . 41.1 p -102.2 7.5 40.84 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 112.753 0.649 . . . . 0.45 112.753 -175.283 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 557' ' ' ASN . . . . . . . . . . . . . 19.1 m120 60.46 39.91 17.79 Favored 'General case' 0 N--CA 1.471 0.596 0 CA-C-O 121.663 0.745 . . . . 1.28 110.29 -176.316 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 558' ' ' GLN . . . . . . . . . . . . . 77.4 mt-30 -135.61 168.4 19.33 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.028 -0.987 . . . . 0.84 109.647 -174.947 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 559' ' ' ALA . . . . . . . . . . . . . . . -158.95 165.59 33.76 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.093 0.473 . . . . 0.16 111.547 176.467 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 560' ' ' PHE . . . . . 0.568 ' HB2' ' HB ' ' A' ' 551' ' ' ILE . 85.0 m-85 -119.46 145.09 46.59 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.95 -0.568 . . . . 0.35 110.142 176.075 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 561' ' ' LEU . . . . . 0.556 ' O ' ' HB ' ' A' ' 522' ' ' VAL . 54.0 tp -135.05 119.4 17.85 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.721 -0.672 . . . . 0.2 110.05 -179.409 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 562' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -101.08 136.11 41.45 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.283 0.563 . . . . 2.09 109.842 177.501 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 563' ' ' MET . . . . . 0.587 ' SD ' ' HA ' ' A' ' 569' ' ' ALA . 40.5 mtt -120.77 164.95 15.82 Favored 'General case' 0 C--N 1.317 -0.84 0 CA-C-N 115.263 -0.88 . . . . 0.39 110.03 -170.329 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 564' ' ' ALA . . . . . . . . . . . . . . . -59.1 -43.34 91.85 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 120.834 0.349 . . . . 0.5 111.94 -175.631 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 565' ' ' TYR . . . . . 0.415 ' HB2' ' HG2' ' A' ' 567' ' ' GLU . 96.9 m-85 -144.37 162.72 35.76 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.245 -0.434 . . . . 1.15 110.993 -177.032 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 566' ' ' THR . . . . . 0.436 ' HB ' ' O ' ' A' ' 516' ' ' LYS . 13.3 t -62.6 -27.15 69.0 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.675 -0.693 . . . . 0.57 110.836 179.342 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 567' ' ' GLU . . . . . 0.415 ' HG2' ' HB2' ' A' ' 565' ' ' TYR . 10.3 pt-20 -61.33 -32.28 72.15 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.945 -0.57 . . . . 0.89 110.807 176.636 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 568' ' ' ALA . . . . . 0.677 ' O ' ' HG3' ' A' ' 572' ' ' MET . . . -72.56 -41.47 65.7 Favored 'General case' 0 N--CA 1.448 -0.531 0 N-CA-C 109.402 -0.592 . . . . 0.26 109.402 -179.463 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 569' ' ' ALA . . . . . 0.587 ' HA ' ' SD ' ' A' ' 563' ' ' MET . . . -64.15 -45.76 87.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.77 -0.65 . . . . 0.24 111.083 -178.448 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 570' ' ' GLN . . . . . . . . . . . . . 14.0 pt20 -64.8 -35.99 82.87 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.257 -0.429 . . . . 1.24 110.62 -177.039 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 571' ' ' ALA . . . . . . . . . . . . . . . -67.5 -45.16 76.65 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.242 -0.435 . . . . 0.31 111.021 179.539 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 572' ' ' MET . . . . . 0.677 ' HG3' ' O ' ' A' ' 568' ' ' ALA . 25.4 mtt -69.27 -44.22 72.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 0.47 110.849 -178.246 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 573' ' ' VAL . . . . . 0.584 ' O ' ' HG3' ' A' ' 577' ' ' GLN . 75.1 t -59.01 -46.71 91.52 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.263 0 CA-C-N 116.796 -0.183 . . . . 0.34 110.555 -178.524 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 574' ' ' GLN . . . . . . . . . . . . . 48.7 mt-30 -62.21 -37.39 85.16 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.853 0.359 . . . . 2.09 110.902 178.288 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 575' ' ' TYR . . . . . . . . . . . . . 92.9 t80 -68.27 -53.2 26.14 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.041 -0.527 . . . . 0.48 110.858 -176.908 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 576' ' ' TYR . . . . . 0.583 ' CD2' HD12 ' A' ' 590' ' ' ILE . 94.4 m-85 -76.41 -13.3 60.13 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 113.055 0.761 . . . . 0.36 113.055 -174.567 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 577' ' ' GLN . . . . . 0.584 ' HG3' ' O ' ' A' ' 573' ' ' VAL . 57.0 mt-30 -71.05 -43.21 68.3 Favored 'General case' 0 C--N 1.327 -0.387 0 C-N-CA 120.229 -0.588 . . . . 1.89 110.168 173.367 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 578' ' ' GLU . . . . . . . . . . . . . 32.8 mt-10 -91.86 -37.13 13.1 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.066 -0.515 . . . . 2.14 111.346 -179.615 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 579' ' ' LYS . . . . . . . . . . . . . 93.4 mttt -124.39 82.45 58.19 Favored Pre-proline 0 C--N 1.325 -0.499 0 N-CA-C 109.594 -0.521 . . . . 2.46 109.594 176.332 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 580' ' ' PRO . . . . . . . . . . . . . 37.0 Cg_endo -65.94 160.32 44.77 Favored 'Trans proline' 0 C--O 1.232 0.224 0 C-N-CA 122.577 2.185 . . . . 0.37 112.464 -177.859 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 581' ' ' ALA . . . . . . . . . . . . . . . -91.59 139.04 31.08 Favored 'General case' 0 CA--C 1.513 -0.472 0 CA-C-N 116.268 -0.424 . . . . 0.27 110.058 -179.462 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 582' ' ' ILE . . . . . . . . . . . . . 26.3 mt -104.48 118.87 52.47 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 CA-C-O 120.973 0.416 . . . . 0.51 111.014 -176.672 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 583' ' ' ILE . . . . . 0.447 HG13 HD11 ' A' ' 588' ' ' LEU . 29.3 mm -121.14 111.16 30.37 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 115.921 -0.582 . . . . 0.51 109.589 172.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 584' ' ' ASN . . . . . . . . . . . . . 96.3 m-20 50.8 44.01 28.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.553 0.692 . . . . 1.1 110.559 179.47 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 585' ' ' GLY . . . . . . . . . . . . . . . 85.56 -3.6 86.92 Favored Glycine 0 N--CA 1.449 -0.48 0 CA-C-N 114.696 -1.138 . . . . 0.44 114.669 176.649 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 586' ' ' GLU . . . . . . . . . . . . . 74.1 mm-40 -100.46 126.24 46.85 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 117.939 0.869 . . . . 1.79 111.31 -179.337 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 587' ' ' LYS . . . . . . . . . . . . . 42.5 mmtm -75.96 119.72 20.3 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.419 -0.809 . . . . 1.67 110.531 174.231 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 588' ' ' LEU . . . . . 0.576 HD12 HD11 ' A' ' 540' ' ' LEU . 42.5 mt -91.05 137.61 32.23 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 116.192 -0.458 . . . . 0.24 110.887 -179.858 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 589' ' ' LEU . . . . . 0.465 ' HB3' ' SG ' ' A' ' 525' ' ' CYS . 43.5 tp -114.69 121.9 44.79 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.803 -0.635 . . . . 0.38 110.532 179.793 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 590' ' ' ILE . . . . . 0.583 HD12 ' CD2' ' A' ' 576' ' ' TYR . 24.5 mt -106.49 122.6 60.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 116.584 -0.28 . . . . 0.26 110.276 177.267 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 591' ' ' ARG . . . . . . . . . . . . . 49.4 mtp180 -147.47 166.63 26.67 Favored 'General case' 0 N--CA 1.465 0.279 0 C-N-CA 122.569 0.348 . . . . 2.62 110.21 -177.564 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 592' ' ' MET . . . . . . . . . . . . . 63.7 mtt -81.37 150.96 28.19 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.614 0.245 . . . . 0.34 110.366 -178.307 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 593' ' ' SER . . . . . 0.646 ' HA ' ' N3 ' ' B' ' 3' ' ' ' C' . 36.2 t -86.18 136.48 33.18 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.326 0.584 . . . . 1.37 111.442 -178.229 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 594' ' ' THR . . . . . . . . . . . . . 19.2 p -90.09 -20.04 23.63 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 114.777 -1.101 . . . . 0.38 111.685 179.084 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 595' ' ' ARG . . . . . 0.531 ' HD3' " H2'" ' B' ' 3' ' ' ' C' . 68.6 mtp180 -103.52 -30.02 10.78 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 112.633 0.605 . . . . 2.75 112.633 -171.487 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 596' ' ' TYR . . . . . . . . . . . . . 85.6 m-85 -116.02 141.62 47.88 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.167 0.508 . . . . 0.65 111.911 -175.206 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 597' ' ' LYS . . . . . 0.499 ' N ' ' HD2' ' A' ' 597' ' ' LYS . 0.1 OUTLIER -109.45 -12.95 14.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.496 -0.775 . . . . 2.18 111.409 177.971 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 598' ' ' GLU . . . . . . . . . . . . . 40.8 tt0 -143.63 150.91 39.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.129 0.49 . . . . 0.95 111.356 -179.779 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 599' ' ' LEU . . . . . 0.644 HD21 HG13 ' A' ' 521' ' ' VAL . 78.9 mt -119.83 121.58 39.42 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.315 -0.857 . . . . 0.45 110.303 174.239 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 600' ' ' GLN . . . . . . . . . . . . . 15.6 pt20 -113.85 136.57 52.72 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 109.522 -0.547 . . . . 1.52 109.522 174.189 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 601' ' ' LEU . . . . . . . . . . . . . 73.7 mt -80.34 99.08 7.73 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 116.229 -0.441 . . . . 0.46 110.976 -176.537 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 602' ' ' LYS . . . . . 0.414 ' HE2' ' O2 ' ' B' ' 4' ' ' ' U' . 54.2 mtmt -86.42 -10.89 53.35 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.904 -0.589 . . . . 1.73 110.198 175.804 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 603' ' ' LYS . . . . . . . . . . . . . 33.7 mmtp -116.98 151.35 47.36 Favored Pre-proline 0 C--N 1.323 -0.551 0 CA-C-N 115.821 -0.627 . . . . 1.69 109.331 175.578 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 604' ' ' PRO . . . . . . . . . . . . . 19.5 Cg_endo -59.93 144.71 99.43 Favored 'Trans proline' 0 C--O 1.235 0.373 0 C-N-CA 123.023 2.482 . . . . 1.21 112.899 -177.661 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 605' ' ' GLY . . . . . . . . . . . . . . . -116.52 124.34 6.16 Favored Glycine 0 N--CA 1.441 -0.988 0 C-N-CA 120.873 -0.679 . . . . 1.23 112.558 -178.064 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 606' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -71.45 150.33 45.02 Favored 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 108.523 -0.917 . . . . 3.47 108.523 172.766 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 607' ' ' ASN . . . . . . . . . . . . . 26.9 t-20 -58.25 121.63 11.22 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.21 0.529 . . . . 1.33 110.916 179.596 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 608' ' ' VAL . . . . . 0.561 HG11 ' HB ' ' A' ' 547' ' ' VAL . 76.0 t -81.66 -23.2 10.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-N 115.513 -0.767 . . . . 0.3 111.511 -174.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 609' ' ' ALA . . . . . . . . . . . . . . . -62.58 -34.22 76.53 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.324 0.583 . . . . 0.44 110.224 174.479 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 610' ' ' ALA . . . . . . . . . . . . . . . -65.42 -27.58 68.64 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.761 -0.654 . . . . 0.4 110.186 175.207 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 611' ' ' ILE . . . . . 0.417 ' HB ' ' O ' ' A' ' 608' ' ' VAL . 71.7 mt -71.39 -31.41 43.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 115.755 -0.657 . . . . 0.25 109.671 177.091 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 612' ' ' ILE . . . . . 0.412 HG12 HD13 ' A' ' 542' ' ' LEU . 63.1 mt -60.74 -43.74 95.82 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.22 0 CA-C-O 121.172 0.511 . . . . 0.31 109.69 173.424 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 613' ' ' GLN . . . . . . . . . . . . . 26.4 mm-40 -64.57 -30.59 71.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.721 0.772 . . . . 2.31 109.454 178.433 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 614' ' ' ASP . . . . . 0.459 ' O ' ' HG3' ' A' ' 618' ' ' GLN . 5.4 t70 -66.99 -42.17 85.52 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 114.597 -1.183 . . . . 1.95 109.726 179.72 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 615' ' ' ILE . . . . . 0.578 HD11 ' HA ' ' A' ' 539' ' ' ASN . 79.3 mt -65.1 -38.78 83.58 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 115.987 -0.551 . . . . 0.35 110.924 178.771 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 616' ' ' HIS . . . . . . . . . . . . . 59.6 m80 -64.51 -28.1 69.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.934 0.397 . . . . 1.26 110.494 177.352 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 617' ' ' SER . . . . . . . . . . . . . 18.4 m -75.39 -25.26 57.47 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.076 -0.511 . . . . 1.18 110.35 174.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 618' ' ' GLN . . . . . 0.459 ' HG3' ' O ' ' A' ' 614' ' ' ASP . 77.7 mt-30 -92.3 178.28 5.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.694 -0.684 . . . . 4.68 110.959 -179.088 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 619' ' ' ARG . . . . . . . . . . . . . 64.4 mtt180 -138.76 90.67 2.47 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.294 -0.866 . . . . 7.77 109.228 171.307 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 620' ' ' GLU . . . . . . . . . . . . . 1.9 pm0 -61.29 145.61 50.78 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-N 115.939 -0.573 . . . . 7.92 111.515 -176.285 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 621' ' ' ARG . . . . . . . . . . . . . 63.2 ttp180 . . . . . 0 C--O 1.246 0.894 0 CA-C-O 118.537 -0.744 . . . . 11.0 109.769 179.425 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 1' ' ' ADN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 2' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.943 0 C3'-C2'-C1' 99.419 -2.312 . 0.0 '__' . 2.99 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 3' ' ' ' C' . . . . . 0.633 ' O2 ' ' HB3' ' A' ' 593' ' ' SER . . . . . . . . 0 O5'--C5' 1.428 -0.752 0 C3'-C2'-C1' 100.636 -0.96 . 0.0 OUTLIER gamma 1.58 . . . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 4' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.82 0 O4'-C1'-N19 109.685 1.485 . 0.0 OUTLIER gamma 1.15 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 5' ' ' ' U' . . . . . 0.68 ' N3 ' HG23 ' A' ' 551' ' ' ILE . . . . . . . . 0 O5'--C5' 1.426 -0.873 0 C4'-C3'-C2' 104.066 1.366 . 0.535 4b . 1.33 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 6' ' ' ' A' . . . . . 0.438 ' H2 ' " O2'" ' B' ' 5' ' ' ' U' . . . . . . . . 0 O5'--C5' 1.426 -0.886 0 C4'-C3'-C2' 103.812 1.112 . 0.0 OUTLIER . 4.23 . . . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 510' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.926 0 N-CA-C 112.375 -0.29 . . . . 8.88 112.375 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 511' ' ' ALA . . . . . . . . . . . . . . . -94.78 -176.84 4.0 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 110.071 -0.344 . . . . 6.64 110.071 177.418 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 512' ' ' MET . . . . . . . . . . . . . 25.9 ttt 60.81 88.58 0.08 Allowed 'General case' 0 C--O 1.237 0.403 0 O-C-N 123.63 0.581 . . . . 6.33 109.481 -177.059 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 513' ' ' ALA . . . . . . . . . . . . . . . 64.09 76.05 0.36 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.304 -0.862 . . . . 4.2 108.82 -169.05 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 514' ' ' GLN . . . . . . . . . . . . . 49.1 mt-30 -52.67 115.45 1.81 Allowed 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.278 -0.874 . . . . 2.88 111.432 -173.616 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 515' ' ' ARG . . . . . 0.407 ' HA ' ' HD3' ' A' ' 515' ' ' ARG . 3.7 mmt180 -71.12 111.53 6.55 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.242 -0.89 . . . . 4.0 109.978 -177.365 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 516' ' ' LYS . . . . . 0.539 ' HA ' ' O ' ' A' ' 519' ' ' GLY . 40.8 mmtm -141.29 35.65 1.69 Allowed 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.859 -0.61 . . . . 1.89 109.783 -178.199 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 517' ' ' GLY . . . . . . . . . . . . . . . -94.22 -74.95 1.27 Allowed Glycine 0 N--CA 1.449 -0.464 0 CA-C-N 115.648 -0.705 . . . . 2.04 112.272 -177.59 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 518' ' ' ALA . . . . . . . . . . . . . . . -83.04 -10.89 58.51 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.517 0.675 . . . . 1.75 110.432 179.862 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 519' ' ' GLY . . . . . 0.539 ' O ' ' HA ' ' A' ' 516' ' ' LYS . . . -147.84 138.67 7.26 Favored Glycine 0 N--CA 1.443 -0.844 0 CA-C-N 114.988 -1.005 . . . . 0.67 110.83 177.813 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 520' ' ' ARG . . . . . . . . . . . . . 19.3 mtm-85 -129.32 133.87 47.64 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 117.611 0.706 . . . . 2.22 111.077 177.954 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 521' ' ' VAL . . . . . 0.902 HG13 HD21 ' A' ' 599' ' ' LEU . 87.4 t -118.58 120.08 63.12 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 CA-C-N 115.404 -0.816 . . . . 0.32 109.892 165.254 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 522' ' ' VAL . . . . . 0.637 ' HB ' ' O ' ' A' ' 561' ' ' LEU . 25.6 t -121.11 120.85 63.35 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.963 0 N-CA-C 108.034 -1.099 . . . . 0.22 108.034 176.395 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 523' ' ' HIS . . . . . 0.592 ' CE1' ' HB3' ' A' ' 558' ' ' GLN . 49.1 t60 -106.03 133.82 50.13 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 121.116 0.484 . . . . 0.44 110.446 -176.038 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 524' ' ' ILE . . . . . 0.426 HD11 HD22 ' A' ' 561' ' ' LEU . 31.3 mt -111.37 137.25 44.71 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.914 0 N-CA-C 108.489 -0.93 . . . . 0.19 108.489 176.638 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 525' ' ' CYS . . . . . 0.503 ' SG ' ' HB3' ' A' ' 589' ' ' LEU . 5.1 p -134.88 163.1 30.59 Favored 'General case' 0 C--N 1.314 -0.949 0 C-N-CA 120.475 -0.49 . . . . 1.17 111.664 -173.87 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 526' ' ' ASN . . . . . 0.462 ' HB2' ' O ' ' A' ' 525' ' ' CYS . 89.6 m-20 86.05 27.94 0.05 OUTLIER 'General case' 0 N--CA 1.469 0.487 0 O-C-N 124.917 1.385 . . . . 0.26 110.574 176.127 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 527' ' ' LEU . . . . . 0.455 ' O ' ' HB3' ' A' ' 557' ' ' ASN . 82.5 mt -84.11 124.3 74.43 Favored Pre-proline 0 C--N 1.325 -0.494 0 CA-C-N 115.549 -0.75 . . . . 0.25 109.066 177.663 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 528' ' ' PRO . . . . . 0.411 ' HD3' ' HA ' ' A' ' 527' ' ' LEU . 14.2 Cg_exo -68.55 136.18 35.64 Favored 'Trans proline' 0 N--CA 1.46 -0.47 0 C-N-CA 121.798 1.665 . . . . 0.38 112.023 -178.118 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 529' ' ' GLU . . . . . . . . . . . . . 47.6 tt0 -64.43 133.53 52.71 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.449 -0.796 . . . . 1.6 109.779 177.527 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 530' ' ' GLY . . . . . . . . . . . . . . . 86.77 5.26 81.6 Favored Glycine 0 N--CA 1.445 -0.703 0 C-N-CA 119.865 -1.159 . . . . 0.48 111.27 -173.88 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 531' ' ' SER . . . . . . . . . . . . . 50.1 m -148.03 11.57 0.94 Allowed 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.332 0.586 . . . . 1.08 110.189 -175.211 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 532' ' ' CYS . . . . . . . . . . . . . 63.1 m -89.85 88.25 7.27 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 109.109 -0.7 . . . . 0.25 109.109 177.515 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 533' ' ' THR . . . . . 0.477 ' O ' HG23 ' A' ' 537' ' ' VAL . 29.3 p -102.15 151.92 21.62 Favored 'General case' 0 C--N 1.322 -0.627 0 C-N-CA 119.908 -0.717 . . . . 0.35 109.225 -178.611 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 534' ' ' GLU . . . . . 0.545 ' N ' HD11 ' A' ' 552' ' ' LEU . 83.7 mt-10 -65.93 -34.35 77.93 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 108.984 -0.747 . . . . 1.64 108.984 176.681 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 535' ' ' ASN . . . . . . . . . . . . . 5.6 m-20 -62.83 -48.84 77.34 Favored 'General case' 0 C--O 1.214 -0.81 0 CA-C-N 114.703 -1.135 . . . . 1.82 111.523 -177.111 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 536' ' ' ASP . . . . . . . . . . . . . 51.4 m-20 -69.83 -44.86 69.08 Favored 'General case' 0 N--CA 1.473 0.676 0 CA-C-O 121.34 0.59 . . . . 0.61 111.266 -172.833 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 537' ' ' VAL . . . . . 0.477 HG23 ' O ' ' A' ' 533' ' ' THR . 36.3 t -60.33 -48.14 89.47 Favored 'Isoleucine or valine' 0 C--O 1.242 0.678 0 CA-C-N 114.989 -1.005 . . . . 0.15 110.028 -178.775 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 538' ' ' ILE . . . . . 0.661 HD11 ' CG ' ' A' ' 550' ' ' TYR . 65.0 mt -68.31 -33.46 60.63 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.789 0 CA-C-N 115.207 -0.906 . . . . 0.23 111.329 176.262 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 539' ' ' ASN . . . . . 0.452 ' HA ' HD11 ' A' ' 615' ' ' ILE . 95.6 m-20 -58.48 -26.55 63.53 Favored 'General case' 0 CA--C 1.515 -0.401 0 N-CA-C 110.595 -0.15 . . . . 0.25 110.595 176.924 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 540' ' ' LEU . . . . . 0.503 HD11 HD12 ' A' ' 588' ' ' LEU . 83.4 mt -75.62 -42.55 51.43 Favored 'General case' 0 C--N 1.324 -0.529 0 C-N-CA 120.45 -0.5 . . . . 0.27 109.762 173.005 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 541' ' ' GLY . . . . . 0.513 ' HA2' ' SD ' ' A' ' 572' ' ' MET . . . -65.16 -52.5 40.51 Favored Glycine 0 CA--C 1.523 0.558 0 N-CA-C 115.483 0.953 . . . . 0.19 115.483 -178.779 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 542' ' ' LEU . . . . . 0.515 HD23 ' H ' ' A' ' 547' ' ' VAL . 45.5 mt -56.25 -47.25 99.24 Favored Pre-proline 0 C--N 1.321 -0.649 0 N-CA-C 114.931 1.456 . . . . 0.2 114.931 -168.444 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 543' ' ' PRO . . . . . 0.408 ' HG3' HD13 ' A' ' 615' ' ' ILE . 50.4 Cg_exo -59.85 -26.31 81.93 Favored 'Trans proline' 0 C--N 1.348 0.549 0 C-N-CA 122.096 1.864 . . . . 0.23 113.609 -177.114 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 544' ' ' PHE . . . . . 0.464 ' HB2' ' HE2' ' A' ' 572' ' ' MET . 96.6 m-85 -97.92 -15.09 20.3 Favored 'General case' 0 C--N 1.332 -0.192 0 O-C-N 122.207 -0.308 . . . . 0.33 111.321 177.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 545' ' ' GLY . . . . . 0.475 ' O ' ' HA ' ' A' ' 542' ' ' LEU . . . 176.21 151.57 8.93 Favored Glycine 0 N--CA 1.449 -0.446 0 C-N-CA 120.793 -0.718 . . . . 0.44 112.039 -178.751 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 546' ' ' LYS . . . . . . . . . . . . . 38.3 ttpt -66.24 128.89 37.9 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 120.962 0.41 . . . . 2.07 110.852 -177.138 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 547' ' ' VAL . . . . . 0.615 HG21 HG23 ' A' ' 538' ' ' ILE . 70.3 t -86.94 115.25 27.44 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 CA-C-N 115.73 -0.668 . . . . 0.2 110.359 178.352 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 548' ' ' THR . . . . . . . . . . . . . 24.2 p -94.73 -34.6 12.47 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 116.075 -0.511 . . . . 0.31 111.427 -179.619 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 549' ' ' ASN . . . . . 0.462 ' HB2' ' CB ' ' A' ' 562' ' ' GLU . 35.4 m-80 -143.5 156.51 44.64 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.069 -0.514 . . . . 1.26 110.183 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 550' ' ' TYR . . . . . 0.661 ' CG ' HD11 ' A' ' 538' ' ' ILE . 7.1 p90 -160.79 152.78 19.97 Favored 'General case' 0 C--N 1.319 -0.729 0 N-CA-C 109.559 -0.534 . . . . 0.31 109.559 -178.927 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 551' ' ' ILE . . . . . 0.68 HG23 ' N3 ' ' B' ' 5' ' ' ' U' . 70.7 mt -143.77 124.99 10.3 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 N-CA-C 108.336 -0.987 . . . . 0.22 108.336 -176.684 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 552' ' ' LEU . . . . . 0.545 HD11 ' N ' ' A' ' 534' ' ' GLU . 22.2 mt -106.7 125.65 51.27 Favored 'General case' 0 C--N 1.313 -0.98 0 C-N-CA 119.76 -0.776 . . . . 0.43 110.179 179.439 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 553' ' ' MET . . . . . 0.427 ' SD ' ' HE2' ' A' ' 560' ' ' PHE . 34.0 mtp -107.96 79.68 1.3 Allowed 'General case' 0 C--N 1.316 -0.88 0 N-CA-C 108.185 -1.043 . . . . 1.03 108.185 179.917 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 554' ' ' LYS . . . . . 0.432 ' HG3' " O4'" ' B' ' 6' ' ' ' A' . 23.9 mmtp -54.45 -29.87 50.97 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 114.828 -1.078 . . . . 1.03 112.712 176.52 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 555' ' ' SER . . . . . . . . . . . . . 64.1 p -68.94 -41.97 77.36 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 120.665 0.269 . . . . 0.51 111.55 -173.679 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 556' ' ' THR . . . . . . . . . . . . . 42.5 p -103.42 6.8 37.91 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 112.048 0.388 . . . . 0.45 112.048 -176.66 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 557' ' ' ASN . . . . . 0.455 ' HB3' ' O ' ' A' ' 527' ' ' LEU . 2.5 m-20 59.01 39.31 23.63 Favored 'General case' 0 N--CA 1.467 0.408 0 CA-C-O 121.767 0.794 . . . . 1.28 110.021 -176.958 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 558' ' ' GLN . . . . . 0.592 ' HB3' ' CE1' ' A' ' 523' ' ' HIS . 63.9 mt-30 -132.48 167.91 19.12 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 114.985 -1.007 . . . . 0.84 109.304 -176.272 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 559' ' ' ALA . . . . . 0.41 ' HB1' HD23 ' A' ' 552' ' ' LEU . . . -158.84 165.18 34.82 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.154 0.502 . . . . 0.16 111.804 176.476 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 560' ' ' PHE . . . . . 0.56 ' HB2' ' HB ' ' A' ' 551' ' ' ILE . 91.8 m-85 -120.34 150.05 41.35 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.753 -0.658 . . . . 0.35 110.485 174.474 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 561' ' ' LEU . . . . . 0.637 ' O ' ' HB ' ' A' ' 522' ' ' VAL . 56.0 tp -137.42 118.78 14.68 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.752 -0.658 . . . . 0.2 110.055 -179.467 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 562' ' ' GLU . . . . . 0.462 ' CB ' ' HB2' ' A' ' 549' ' ' ASN . 0.0 OUTLIER -102.83 136.78 42.02 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.383 0.611 . . . . 2.09 110.276 177.801 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 563' ' ' MET . . . . . 0.579 ' SD ' ' HA ' ' A' ' 569' ' ' ALA . 33.1 mtt -121.07 164.76 16.31 Favored 'General case' 0 C--N 1.313 -0.984 0 CA-C-N 115.211 -0.904 . . . . 0.39 109.895 -170.408 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 564' ' ' ALA . . . . . . . . . . . . . . . -59.61 -44.31 93.46 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 117.947 0.34 . . . . 0.5 111.844 -175.565 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 565' ' ' TYR . . . . . . . . . . . . . 75.2 m-85 -142.59 162.63 34.96 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.004 0.431 . . . . 1.15 111.673 -178.73 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 566' ' ' THR . . . . . 0.415 ' HB ' ' O ' ' A' ' 516' ' ' LYS . 9.8 t -60.09 -27.61 67.14 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.446 -0.797 . . . . 0.57 111.407 179.898 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 567' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -60.49 -32.65 71.63 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-N 116.172 -0.467 . . . . 0.89 111.071 179.348 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 568' ' ' ALA . . . . . 0.671 ' O ' ' HG3' ' A' ' 572' ' ' MET . . . -73.56 -42.54 61.52 Favored 'General case' 0 N--CA 1.451 -0.383 0 CA-C-N 115.96 -0.564 . . . . 0.26 109.879 179.71 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 569' ' ' ALA . . . . . 0.579 ' HA ' ' SD ' ' A' ' 563' ' ' MET . . . -63.2 -45.18 92.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.959 -0.564 . . . . 0.24 111.182 -176.743 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 570' ' ' GLN . . . . . . . . . . . . . 17.2 pt20 -67.29 -36.21 81.06 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.268 -0.424 . . . . 1.24 110.424 -178.578 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 571' ' ' ALA . . . . . . . . . . . . . . . -65.03 -45.5 85.2 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.272 -0.422 . . . . 0.31 110.85 178.292 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 572' ' ' MET . . . . . 0.671 ' HG3' ' O ' ' A' ' 568' ' ' ALA . 28.4 mtt -69.39 -45.75 68.52 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.365 -0.379 . . . . 0.47 110.961 -178.018 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 573' ' ' VAL . . . . . 0.571 ' O ' ' HG3' ' A' ' 577' ' ' GLN . 75.1 t -59.49 -46.46 92.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 N-CA-C 110.488 -0.19 . . . . 0.34 110.488 -178.404 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 574' ' ' GLN . . . . . . . . . . . . . 16.3 mm100 -62.02 -38.88 90.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.772 0.32 . . . . 2.09 110.89 177.809 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 575' ' ' TYR . . . . . . . . . . . . . 78.1 t80 -68.73 -52.32 31.91 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.026 -0.534 . . . . 0.48 110.75 -176.799 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 576' ' ' TYR . . . . . 0.533 ' CD2' HD12 ' A' ' 590' ' ' ILE . 83.6 m-85 -74.75 -13.13 60.56 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 112.91 0.708 . . . . 0.36 112.91 -176.27 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 577' ' ' GLN . . . . . 0.571 ' HG3' ' O ' ' A' ' 573' ' ' VAL . 43.0 mt-30 -71.7 -42.3 67.57 Favored 'General case' 0 C--N 1.325 -0.47 0 C-N-CA 120.227 -0.589 . . . . 1.89 109.596 171.132 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 578' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -86.12 -37.97 18.23 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.148 -0.478 . . . . 2.14 111.204 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 579' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -130.11 84.97 58.64 Favored Pre-proline 0 C--N 1.327 -0.412 0 CA-C-N 116.486 -0.324 . . . . 2.46 110.174 177.949 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 580' ' ' PRO . . . . . . . . . . . . . 39.5 Cg_endo -66.32 160.6 44.53 Favored 'Trans proline' 0 C--O 1.231 0.133 0 C-N-CA 122.843 2.362 . . . . 0.37 112.307 -178.647 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 581' ' ' ALA . . . . . 0.4 ' O ' ' HG ' ' A' ' 588' ' ' LEU . . . -91.35 135.21 33.98 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 109.761 -0.459 . . . . 0.27 109.761 179.923 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 582' ' ' ILE . . . . . . . . . . . . . 23.7 mt -100.34 119.65 48.72 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.939 0 CA-C-N 116.529 -0.305 . . . . 0.51 111.094 -174.668 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 583' ' ' ILE . . . . . 0.445 HG13 HD11 ' A' ' 588' ' ' LEU . 31.4 mm -126.53 113.19 32.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 N-CA-C 109.235 -0.654 . . . . 0.51 109.235 173.78 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 584' ' ' ASN . . . . . . . . . . . . . 94.4 m-20 59.27 33.01 22.39 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-O 121.242 0.544 . . . . 1.1 110.296 -177.295 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 585' ' ' GLY . . . . . . . . . . . . . . . 81.37 5.57 89.9 Favored Glycine 0 N--CA 1.445 -0.702 0 CA-C-N 115.556 -0.747 . . . . 0.44 112.98 179.341 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 586' ' ' GLU . . . . . . . . . . . . . 9.1 mm-40 -101.1 125.84 47.75 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.773 0.287 . . . . 1.79 110.531 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 587' ' ' LYS . . . . . . . . . . . . . 33.6 mmtp -76.34 115.87 16.49 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.854 -0.612 . . . . 1.67 110.957 177.657 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 588' ' ' LEU . . . . . 0.503 HD12 HD11 ' A' ' 540' ' ' LEU . 50.2 mt -80.6 135.83 36.13 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.167 -0.469 . . . . 0.24 110.719 179.106 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 589' ' ' LEU . . . . . 0.503 ' HB3' ' SG ' ' A' ' 525' ' ' CYS . 53.0 tp -113.6 118.6 34.86 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.764 -0.653 . . . . 0.38 110.494 -179.646 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 590' ' ' ILE . . . . . 0.533 HD12 ' CD2' ' A' ' 576' ' ' TYR . 18.6 mt -100.19 128.59 52.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 N-CA-C 109.778 -0.453 . . . . 0.26 109.778 175.879 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 591' ' ' ARG . . . . . . . . . . . . . 18.2 mmm180 -142.97 153.0 42.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.507 -0.315 . . . . 2.62 110.826 -173.955 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 592' ' ' MET . . . . . . . . . . . . . 58.8 mtt -83.14 132.05 35.11 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 109.855 -0.424 . . . . 0.34 109.855 175.929 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 593' ' ' SER . . . . . 0.633 ' HB3' ' O2 ' ' B' ' 3' ' ' ' C' . 49.9 m -77.69 137.11 38.33 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 121.538 0.685 . . . . 1.37 112.4 -176.099 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 594' ' ' THR . . . . . . . . . . . . . 21.1 p -91.82 -14.58 29.55 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 114.495 -1.229 . . . . 0.38 111.832 179.78 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 595' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -101.38 -27.88 12.9 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 112.265 0.469 . . . . 2.75 112.265 -169.371 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 596' ' ' TYR . . . . . 0.434 ' CB ' HG21 ' A' ' 521' ' ' VAL . 77.0 m-85 -120.44 155.4 33.58 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 121.23 0.538 . . . . 0.65 111.665 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 597' ' ' LYS . . . . . . . . . . . . . 15.4 mtmt -108.09 -28.45 9.52 Favored 'General case' 0 C--O 1.22 -0.492 0 CA-C-N 114.988 -1.005 . . . . 2.18 110.904 -178.46 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 598' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -142.39 149.29 39.16 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 120.986 0.422 . . . . 0.95 110.77 -176.084 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 599' ' ' LEU . . . . . 0.902 HD21 HG13 ' A' ' 521' ' ' VAL . 48.8 mt -100.74 126.63 47.31 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.715 -0.675 . . . . 0.45 110.917 177.551 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 600' ' ' GLN . . . . . . . . . . . . . 13.8 pt20 -113.52 138.36 50.24 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.927 -0.579 . . . . 1.52 109.76 177.063 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 601' ' ' LEU . . . . . . . . . . . . . 65.6 mt -86.28 89.31 7.82 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 120.709 0.29 . . . . 0.46 111.201 -177.729 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 602' ' ' LYS . . . . . . . . . . . . . 14.5 mmmm -66.52 -27.23 67.6 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.599 0.714 . . . . 1.73 109.178 171.223 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 603' ' ' LYS . . . . . . . . . . . . . 34.6 mmtp -116.41 135.21 22.83 Favored Pre-proline 0 C--N 1.324 -0.515 0 CA-C-N 115.06 -0.973 . . . . 1.69 108.867 173.908 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 604' ' ' PRO . . . . . . . . . . . . . 27.7 Cg_endo -61.91 165.1 14.86 Favored 'Trans proline' 0 C--O 1.234 0.315 0 C-N-CA 122.913 2.409 . . . . 1.21 112.815 -176.257 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 605' ' ' GLY . . . . . . . . . . . . . . . -127.57 133.46 7.89 Favored Glycine 0 N--CA 1.438 -1.189 0 CA-C-N 115.648 -0.705 . . . . 1.23 111.709 -177.716 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 606' ' ' LYS . . . . . . . . . . . . . 5.6 ptpp? -73.75 167.06 22.16 Favored 'General case' 0 C--N 1.317 -0.809 0 N-CA-C 109.561 -0.533 . . . . 3.47 109.561 176.91 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 607' ' ' ASN . . . . . . . . . . . . . 26.3 t-20 -57.19 121.08 9.24 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.128 0.49 . . . . 1.33 110.895 177.534 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 608' ' ' VAL . . . . . 0.562 HG11 ' HB ' ' A' ' 547' ' ' VAL . 68.8 t -87.11 -16.74 9.12 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-N 115.719 -0.673 . . . . 0.3 111.084 -175.27 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 609' ' ' ALA . . . . . . . . . . . . . . . -64.17 -34.64 78.53 Favored 'General case' 0 C--O 1.236 0.372 0 CA-C-O 121.264 0.554 . . . . 0.44 110.856 176.382 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 610' ' ' ALA . . . . . . . . . . . . . . . -63.92 -28.56 69.91 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.993 -0.549 . . . . 0.4 110.109 176.254 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 611' ' ' ILE . . . . . 0.415 ' HA ' ' OD1' ' A' ' 614' ' ' ASP . 77.0 mt -70.85 -30.89 43.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 115.766 -0.652 . . . . 0.25 109.642 178.765 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 612' ' ' ILE . . . . . 0.426 ' CG1' HD13 ' A' ' 542' ' ' LEU . 67.1 mt -60.28 -41.89 88.63 Favored 'Isoleucine or valine' 0 C--O 1.235 0.29 0 CA-C-O 121.301 0.572 . . . . 0.31 109.706 172.358 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 613' ' ' GLN . . . . . . . . . . . . . 30.6 mm-40 -64.38 -30.36 71.4 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.517 -0.765 . . . . 2.31 110.428 177.286 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 614' ' ' ASP . . . . . 0.415 ' OD1' ' HA ' ' A' ' 611' ' ' ILE . 37.3 m-20 -66.53 -42.98 86.39 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.808 -0.633 . . . . 1.95 110.359 177.608 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 615' ' ' ILE . . . . . 0.485 ' CD1' ' HB2' ' A' ' 542' ' ' LEU . 84.5 mt -63.39 -46.57 95.02 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.186 0 CA-C-O 121.233 0.54 . . . . 0.35 110.736 179.051 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 616' ' ' HIS . . . . . . . . . . . . . 48.5 m170 -63.23 -35.28 79.8 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.355 -0.839 . . . . 1.26 110.845 -178.491 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 617' ' ' SER . . . . . . . . . . . . . 38.7 m -75.07 -30.6 61.02 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.406 -0.361 . . . . 1.18 111.038 177.69 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 618' ' ' GLN . . . . . . . . . . . . . 76.4 mt-30 69.63 170.24 0.3 Allowed 'General case' 0 N--CA 1.467 0.387 0 CA-C-N 115.542 -0.754 . . . . 4.68 111.492 -178.278 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 619' ' ' ARG . . . . . . . . . . . . . 68.1 mtp180 -130.01 126.82 38.66 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.704 -0.68 . . . . 7.77 109.535 176.309 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 620' ' ' GLU . . . . . . . . . . . . . 20.2 mm-40 -80.09 66.81 5.71 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.491 -0.322 . . . . 7.92 110.587 -177.908 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 621' ' ' ARG . . . . . . . . . . . . . 78.8 mtp180 . . . . . 0 C--O 1.25 1.091 0 CA-C-O 118.295 -0.86 . . . . 11.0 110.655 -177.672 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 1' ' ' ADN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 2' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.958 0 C3'-C2'-C1' 99.447 -2.281 . 0.0 '__' . 2.99 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 3' ' ' ' C' . . . . . 0.475 ' O2 ' ' HB3' ' A' ' 593' ' ' SER . . . . . . . . 0 O5'--C5' 1.428 -0.749 0 C4'-C3'-C2' 103.924 1.224 . 0.0 OUTLIER . 1.58 . . . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 4' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.424 -1.009 0 C3'-C2'-C1' 99.675 -2.027 . 0.549 0b . 1.15 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 5' ' ' ' U' . . . . . 0.609 ' C2 ' HG23 ' A' ' 551' ' ' ILE . . . . . . . . 0 O5'--C5' 1.424 -0.976 0 C4'-C3'-C2' 104.09 1.39 . 0.102 0b . 1.33 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 6' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.869 0 C3'-C2'-C1' 100.814 -0.762 . 0.0 OUTLIER gamma 4.23 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 510' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.86 0 N-CA-C 112.021 -0.431 . . . . 8.88 112.021 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 511' ' ' ALA . . . . . . . . . . . . . . . 71.53 -51.59 0.69 Allowed 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 123.609 0.764 . . . . 6.64 112.779 176.419 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 512' ' ' MET . . . . . . . . . . . . . 51.3 ttm -58.51 -66.19 0.53 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.575 0.226 . . . . 6.33 111.411 -175.56 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 513' ' ' ALA . . . . . . . . . . . . . . . -124.1 16.2 9.19 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.191 0.519 . . . . 4.2 110.507 -179.905 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 514' ' ' GLN . . . . . . . . . . . . . 14.0 mm100 -123.24 119.94 31.65 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.708 -0.678 . . . . 2.88 111.233 -178.724 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 515' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -98.48 106.07 18.3 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.533 -0.758 . . . . 4.0 109.423 175.136 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 516' ' ' LYS . . . . . . . . . . . . . 44.0 mmtm -139.75 51.04 1.74 Allowed 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.981 -0.554 . . . . 1.89 110.578 -176.931 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 517' ' ' GLY . . . . . . . . . . . . . . . -113.12 -57.54 0.42 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.926 -0.654 . . . . 2.04 112.185 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 518' ' ' ALA . . . . . . . . . . . . . . . -89.61 -14.86 34.06 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.557 0.694 . . . . 1.75 110.689 179.39 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 519' ' ' GLY . . . . . . . . . . . . . . . -149.69 127.33 2.42 Favored Glycine 0 C--N 1.313 -0.706 0 CA-C-N 114.774 -1.103 . . . . 0.67 110.587 177.785 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 520' ' ' ARG . . . . . . . . . . . . . 16.5 mtm-85 -125.97 133.44 51.81 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 121.47 0.652 . . . . 2.22 111.9 -177.202 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 521' ' ' VAL . . . . . 0.9 HG13 HD21 ' A' ' 599' ' ' LEU . 97.6 t -117.53 120.71 65.64 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.71 0 CA-C-N 114.888 -1.051 . . . . 0.32 109.778 170.134 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 522' ' ' VAL . . . . . 0.452 ' HB ' ' O ' ' A' ' 561' ' ' LEU . 24.5 t -120.86 122.31 67.47 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.933 0 N-CA-C 108.414 -0.958 . . . . 0.22 108.414 179.268 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 523' ' ' HIS . . . . . 0.414 ' HB2' ' OG ' ' A' ' 593' ' ' SER . 57.5 t60 -105.31 131.21 53.04 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 121.183 0.516 . . . . 0.44 110.532 -175.497 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 524' ' ' ILE . . . . . 0.478 HG23 HG12 ' A' ' 590' ' ' ILE . 31.3 mt -111.4 138.85 38.17 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.908 0 CA-C-N 115.138 -0.937 . . . . 0.19 108.509 178.519 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 525' ' ' CYS . . . . . 0.501 ' SG ' ' HB3' ' A' ' 589' ' ' LEU . 1.6 p -140.73 164.78 29.28 Favored 'General case' 0 C--N 1.313 -1.013 0 C-N-CA 120.458 -0.497 . . . . 1.17 111.608 -175.923 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 526' ' ' ASN . . . . . 0.415 ' HB2' ' O ' ' A' ' 525' ' ' CYS . 77.8 m-20 86.46 27.24 0.05 OUTLIER 'General case' 0 N--CA 1.469 0.516 0 O-C-N 125.0 1.437 . . . . 0.26 110.11 176.791 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 527' ' ' LEU . . . . . 0.44 ' HB3' ' SG ' ' A' ' 532' ' ' CYS . 80.6 mt -87.21 123.83 69.34 Favored Pre-proline 0 C--N 1.324 -0.509 0 CA-C-N 115.258 -0.883 . . . . 0.25 108.794 178.373 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 528' ' ' PRO . . . . . 0.403 ' HD3' ' HA ' ' A' ' 527' ' ' LEU . 9.4 Cg_exo -72.04 135.35 25.08 Favored 'Trans proline' 0 N--CA 1.461 -0.393 0 C-N-CA 121.756 1.638 . . . . 0.38 111.751 179.766 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 529' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -64.94 138.61 58.47 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 109.242 -0.651 . . . . 1.6 109.242 176.953 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 530' ' ' GLY . . . . . . . . . . . . . . . 87.81 5.01 78.45 Favored Glycine 0 N--CA 1.446 -0.689 0 C-N-CA 119.944 -1.122 . . . . 0.48 110.926 -172.336 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 531' ' ' SER . . . . . . . . . . . . . 56.8 m -153.5 7.68 0.37 Allowed 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.03 0.443 . . . . 1.08 110.51 -176.557 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 532' ' ' CYS . . . . . 0.519 ' HB2' ' HD2' ' A' ' 554' ' ' LYS . 60.6 m -88.61 78.64 7.73 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 108.17 -1.048 . . . . 0.25 108.17 175.316 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 533' ' ' THR . . . . . 0.466 ' O ' HG23 ' A' ' 537' ' ' VAL . 29.1 p -95.7 153.03 17.94 Favored 'General case' 0 C--N 1.315 -0.905 0 C-N-CA 119.611 -0.836 . . . . 0.35 109.258 -176.062 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 534' ' ' GLU . . . . . 0.527 ' HA ' HD11 ' A' ' 552' ' ' LEU . 2.2 mp0 -63.93 -33.96 76.9 Favored 'General case' 0 C--N 1.318 -0.771 0 N-CA-C 108.789 -0.819 . . . . 1.64 108.789 176.489 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 535' ' ' ASN . . . . . . . . . . . . . 66.4 t30 -64.47 -50.02 69.1 Favored 'General case' 0 C--O 1.213 -0.868 0 CA-C-N 114.982 -1.008 . . . . 1.82 111.009 -176.362 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 536' ' ' ASP . . . . . . . . . . . . . 46.9 m-20 -69.96 -44.82 68.7 Favored 'General case' 0 N--CA 1.472 0.643 0 CA-C-O 121.345 0.593 . . . . 0.61 111.396 -171.677 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 537' ' ' VAL . . . . . 0.466 HG23 ' O ' ' A' ' 533' ' ' THR . 39.2 t -59.85 -48.12 88.89 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 CA-C-N 115.052 -0.976 . . . . 0.15 109.738 -178.902 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 538' ' ' ILE . . . . . 0.642 HD11 ' CG ' ' A' ' 550' ' ' TYR . 62.1 mt -68.93 -33.42 59.02 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.721 0 CA-C-N 115.21 -0.905 . . . . 0.23 111.84 176.664 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 539' ' ' ASN . . . . . 0.409 ' HA ' HD11 ' A' ' 615' ' ' ILE . 11.5 m120 -57.95 -27.67 63.62 Favored 'General case' 0 CA--C 1.51 -0.56 0 O-C-N 122.115 -0.365 . . . . 0.25 110.097 176.895 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 540' ' ' LEU . . . . . 0.475 HD11 HD12 ' A' ' 588' ' ' LEU . 81.8 mt -75.74 -41.93 51.91 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 109.916 -0.402 . . . . 0.27 109.916 174.545 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 541' ' ' GLY . . . . . 0.484 ' HA3' HD21 ' A' ' 561' ' ' LEU . . . -67.04 -52.71 30.81 Favored Glycine 0 CA--C 1.521 0.464 0 N-CA-C 115.537 0.975 . . . . 0.19 115.537 -178.929 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 542' ' ' LEU . . . . . 0.487 HD13 HG12 ' A' ' 612' ' ' ILE . 39.7 mt -56.17 -48.41 96.92 Favored Pre-proline 0 C--N 1.321 -0.647 0 N-CA-C 114.641 1.349 . . . . 0.2 114.641 -168.457 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 543' ' ' PRO . . . . . . . . . . . . . 48.6 Cg_exo -60.63 -24.5 78.63 Favored 'Trans proline' 0 C--N 1.347 0.455 0 C-N-CA 121.986 1.791 . . . . 0.23 113.565 -177.262 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 544' ' ' PHE . . . . . 0.443 ' HB2' ' HE2' ' A' ' 572' ' ' MET . 81.9 m-85 -99.17 -15.67 18.85 Favored 'General case' 0 C--O 1.235 0.325 0 O-C-N 121.851 -0.531 . . . . 0.33 111.25 177.335 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 545' ' ' GLY . . . . . 0.455 ' O ' ' HA ' ' A' ' 542' ' ' LEU . . . 178.74 152.54 10.52 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.691 -0.766 . . . . 0.44 112.651 -178.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 546' ' ' LYS . . . . . . . . . . . . . 62.4 tttp -65.44 124.01 21.15 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.09 0.471 . . . . 2.07 111.227 -178.343 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 547' ' ' VAL . . . . . 0.598 HG21 HG23 ' A' ' 538' ' ' ILE . 78.3 t -85.31 115.14 26.49 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.441 0 CA-C-N 115.507 -0.77 . . . . 0.2 110.39 177.335 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 548' ' ' THR . . . . . . . . . . . . . 22.4 p -93.78 -35.96 12.51 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 116.301 -0.409 . . . . 0.31 111.463 178.048 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 549' ' ' ASN . . . . . . . . . . . . . 92.4 m-20 -143.68 161.87 37.44 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.041 0.448 . . . . 1.26 110.685 178.81 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 550' ' ' TYR . . . . . 0.642 ' CG ' HD11 ' A' ' 538' ' ' ILE . 3.8 p90 -161.5 152.21 17.93 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.723 -0.671 . . . . 0.31 109.276 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 551' ' ' ILE . . . . . 0.609 HG23 ' C2 ' ' B' ' 5' ' ' ' U' . 49.5 mt -140.99 123.16 14.88 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 N-CA-C 108.372 -0.973 . . . . 0.22 108.372 -176.505 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 552' ' ' LEU . . . . . 0.527 HD11 ' HA ' ' A' ' 534' ' ' GLU . 20.6 mt -108.2 120.68 43.05 Favored 'General case' 0 C--N 1.316 -0.854 0 C-N-CA 120.082 -0.647 . . . . 0.43 111.063 -176.685 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 553' ' ' MET . . . . . 0.58 ' HA ' " H4'" ' B' ' 5' ' ' ' U' . 72.2 mtm -110.12 82.61 1.62 Allowed 'General case' 0 C--N 1.321 -0.662 0 C-N-CA 119.893 -0.723 . . . . 1.03 109.218 178.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 554' ' ' LYS . . . . . 0.519 ' HD2' ' HB2' ' A' ' 532' ' ' CYS . 23.0 mmtp -53.44 -28.8 32.11 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 114.839 -1.073 . . . . 1.03 112.136 174.099 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 555' ' ' SER . . . . . . . . . . . . . 60.7 p -70.41 -39.81 74.23 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 111.99 0.367 . . . . 0.51 111.99 -174.136 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 556' ' ' THR . . . . . . . . . . . . . 41.0 p -102.41 2.78 37.05 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 112.667 0.617 . . . . 0.45 112.667 -177.682 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 557' ' ' ASN . . . . . . . . . . . . . 4.2 m-20 59.21 39.1 23.16 Favored 'General case' 0 C--O 1.237 0.406 0 CA-C-O 121.708 0.766 . . . . 1.28 110.31 -175.573 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 558' ' ' GLN . . . . . 0.461 ' HB2' ' HE3' ' A' ' 553' ' ' MET . 70.4 mt-30 -140.34 165.1 28.31 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.231 -0.895 . . . . 0.84 109.648 -177.03 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 559' ' ' ALA . . . . . 0.414 ' HB1' HD23 ' A' ' 552' ' ' LEU . . . -157.68 165.98 34.02 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.104 0.478 . . . . 0.16 111.858 -177.603 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 560' ' ' PHE . . . . . 0.525 ' HB2' ' HB ' ' A' ' 551' ' ' ILE . 95.0 m-85 -119.31 149.84 41.13 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.97 -0.559 . . . . 0.35 110.721 176.606 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 561' ' ' LEU . . . . . 0.484 HD21 ' HA3' ' A' ' 541' ' ' GLY . 51.4 tp -136.65 119.5 16.28 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.891 -0.595 . . . . 0.2 110.198 -179.865 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 562' ' ' GLU . . . . . 0.543 ' HB2' HD12 ' A' ' 599' ' ' LEU . 33.3 tt0 -100.33 126.78 46.72 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.206 0.527 . . . . 2.09 110.527 178.8 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 563' ' ' MET . . . . . 0.625 ' SD ' ' HA ' ' A' ' 569' ' ' ALA . 33.2 mtt -115.45 150.1 37.0 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.34 -0.845 . . . . 0.39 109.416 -175.503 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 564' ' ' ALA . . . . . . . . . . . . . . . -76.24 -16.07 59.89 Favored 'General case' 0 C--N 1.328 -0.339 0 O-C-N 123.368 0.418 . . . . 0.5 111.977 -171.92 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 565' ' ' TYR . . . . . 0.503 ' HB3' ' HG2' ' A' ' 567' ' ' GLU . 79.7 m-85 -142.68 144.54 32.78 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.191 -0.459 . . . . 1.15 110.139 -179.0 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 566' ' ' THR . . . . . 0.409 ' O ' ' HG2' ' A' ' 570' ' ' GLN . 4.5 t -68.41 -26.6 65.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.737 -0.665 . . . . 0.57 110.059 -178.247 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 567' ' ' GLU . . . . . 0.503 ' HG2' ' HB3' ' A' ' 565' ' ' TYR . 8.9 pt-20 -57.22 -32.58 66.67 Favored 'General case' 0 C--N 1.334 -0.09 0 CA-C-N 115.663 -0.698 . . . . 0.89 110.428 175.336 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 568' ' ' ALA . . . . . 0.675 ' O ' ' HG3' ' A' ' 572' ' ' MET . . . -72.96 -43.62 62.06 Favored 'General case' 0 N--CA 1.448 -0.559 0 CA-C-N 116.034 -0.53 . . . . 0.26 110.044 -177.932 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 569' ' ' ALA . . . . . 0.625 ' HA ' ' SD ' ' A' ' 563' ' ' MET . . . -63.35 -46.88 84.51 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.783 -0.644 . . . . 0.24 111.357 -175.625 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 570' ' ' GLN . . . . . 0.467 ' O ' ' HG2' ' A' ' 574' ' ' GLN . 4.7 pt20 -70.06 -36.18 74.78 Favored 'General case' 0 C--N 1.325 -0.485 0 C-N-CA 120.712 -0.395 . . . . 1.24 110.77 -179.266 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 571' ' ' ALA . . . . . . . . . . . . . . . -62.64 -43.95 97.5 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.541 0.21 . . . . 0.31 110.955 178.904 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 572' ' ' MET . . . . . 0.675 ' HG3' ' O ' ' A' ' 568' ' ' ALA . 30.6 mtt -65.47 -44.39 87.28 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 110.137 -0.32 . . . . 0.47 110.137 179.249 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 573' ' ' VAL . . . . . 0.583 HG23 ' O ' ' A' ' 569' ' ' ALA . 97.8 t -59.05 -47.02 91.36 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.494 -0.321 . . . . 0.34 110.14 177.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 574' ' ' GLN . . . . . 0.467 ' HG2' ' O ' ' A' ' 570' ' ' GLN . 31.0 mm-40 -61.49 -40.37 94.33 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.465 -0.334 . . . . 2.09 110.965 179.85 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 575' ' ' TYR . . . . . . . . . . . . . 84.3 t80 -68.65 -52.6 29.46 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.131 -0.486 . . . . 0.48 111.0 -179.017 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 576' ' ' TYR . . . . . 0.529 ' CE2' HD12 ' A' ' 590' ' ' ILE . 61.1 m-85 -72.71 -13.35 61.32 Favored 'General case' 0 N--CA 1.464 0.246 0 N-CA-C 112.804 0.668 . . . . 0.36 112.804 -176.518 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 577' ' ' GLN . . . . . 0.566 ' HG3' ' O ' ' A' ' 573' ' ' VAL . 93.8 mt-30 -68.77 -41.35 78.93 Favored 'General case' 0 C--N 1.326 -0.416 0 C-N-CA 120.341 -0.543 . . . . 1.89 109.658 169.671 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 578' ' ' GLU . . . . . . . . . . . . . 30.4 mm-40 -86.36 -38.95 16.92 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.824 -0.625 . . . . 2.14 111.123 179.876 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 579' ' ' LYS . . . . . 0.489 ' O ' ' HA ' ' A' ' 576' ' ' TYR . 26.7 mtpp -135.53 90.47 20.07 Favored Pre-proline 0 C--N 1.323 -0.568 0 CA-C-N 116.432 -0.349 . . . . 2.46 110.233 176.167 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 580' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_endo -64.78 160.74 39.23 Favored 'Trans proline' 0 N--CA 1.462 -0.35 0 C-N-CA 122.276 1.984 . . . . 0.37 111.608 177.884 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 581' ' ' ALA . . . . . 0.502 ' O ' ' HG ' ' A' ' 588' ' ' LEU . . . -91.06 130.26 36.98 Favored 'General case' 0 C--N 1.323 -0.587 0 N-CA-C 109.318 -0.623 . . . . 0.27 109.318 178.887 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 582' ' ' ILE . . . . . . . . . . . . . 48.8 mt -102.91 121.76 54.47 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.759 0 CA-C-O 120.736 0.303 . . . . 0.51 111.374 -172.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 583' ' ' ILE . . . . . . . . . . . . . 30.8 mm -127.96 113.7 31.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 N-CA-C 109.654 -0.499 . . . . 0.51 109.654 176.126 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 584' ' ' ASN . . . . . . . . . . . . . 86.3 m-20 58.14 33.77 23.5 Favored 'General case' 0 N--CA 1.467 0.415 0 CA-C-O 121.132 0.491 . . . . 1.1 110.578 -178.776 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 585' ' ' GLY . . . . . . . . . . . . . . . 84.02 3.83 88.85 Favored Glycine 0 N--CA 1.444 -0.791 0 CA-C-N 115.561 -0.745 . . . . 0.44 113.666 176.854 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 586' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -106.85 126.22 52.03 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 117.344 0.572 . . . . 1.79 110.473 177.801 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 587' ' ' LYS . . . . . . . . . . . . . 59.6 mttp -75.92 121.98 23.47 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.608 -0.724 . . . . 1.67 111.13 177.774 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 588' ' ' LEU . . . . . 0.502 ' HG ' ' O ' ' A' ' 581' ' ' ALA . 49.4 mt -80.74 137.26 36.26 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 116.028 -0.533 . . . . 0.24 110.821 -179.181 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 589' ' ' LEU . . . . . 0.501 ' HB3' ' SG ' ' A' ' 525' ' ' CYS . 56.0 tp -112.3 112.14 23.51 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.7 -0.682 . . . . 0.38 110.399 -179.251 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 590' ' ' ILE . . . . . 0.529 HD12 ' CE2' ' A' ' 576' ' ' TYR . 18.6 mt -104.91 118.91 53.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 116.254 -0.43 . . . . 0.26 110.104 177.08 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 591' ' ' ARG . . . . . . . . . . . . . 38.9 mtm180 -146.22 165.78 28.17 Favored 'General case' 0 N--CA 1.463 0.203 0 CA-C-O 120.67 0.271 . . . . 2.62 110.571 179.553 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 592' ' ' MET . . . . . . . . . . . . . 64.9 mtt -81.71 129.02 34.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.257 -0.429 . . . . 0.34 110.194 -176.126 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 593' ' ' SER . . . . . 0.475 ' HB3' ' O2 ' ' B' ' 3' ' ' ' C' . 28.0 m -69.21 136.42 52.01 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.35 0.595 . . . . 1.37 111.576 -177.182 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 594' ' ' THR . . . . . . . . . . . . . 22.9 p -90.53 -10.17 44.52 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 114.944 -1.025 . . . . 0.38 111.746 -177.278 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 595' ' ' ARG . . . . . 0.455 ' HD2' " O2'" ' B' ' 3' ' ' ' C' . 97.8 mtt180 -102.61 -28.62 12.04 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 112.561 0.578 . . . . 2.75 112.561 -172.14 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 596' ' ' TYR . . . . . . . . . . . . . 81.1 m-85 -125.68 146.1 49.88 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.198 0.523 . . . . 0.65 112.267 -173.637 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 597' ' ' LYS . . . . . . . . . . . . . 49.1 mtmt -109.6 -7.77 15.07 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.454 -0.793 . . . . 2.18 111.857 177.56 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 598' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -142.82 148.92 37.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.107 0.479 . . . . 0.95 110.943 177.33 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 599' ' ' LEU . . . . . 0.9 HD21 HG13 ' A' ' 521' ' ' VAL . 37.3 mt -107.14 122.22 46.06 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.396 -0.82 . . . . 0.45 111.06 174.832 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 600' ' ' GLN . . . . . . . . . . . . . 49.5 tt0 -113.07 119.34 37.51 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.389 -0.823 . . . . 1.52 110.363 -177.751 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 601' ' ' LEU . . . . . . . . . . . . . 30.5 mt -79.32 78.08 5.83 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.986 0.422 . . . . 0.46 111.0 179.538 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 602' ' ' LYS . . . . . . . . . . . . . 56.7 mtmt -68.98 -20.24 64.17 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.812 -0.631 . . . . 1.73 109.901 176.351 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 603' ' ' LYS . . . . . 0.503 ' HB2' ' N3 ' ' B' ' 5' ' ' ' U' . 33.6 mmtp -118.55 130.95 24.48 Favored Pre-proline 0 C--N 1.324 -0.514 0 N-CA-C 108.768 -0.827 . . . . 1.69 108.768 171.535 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 604' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_endo -68.89 166.38 26.66 Favored 'Trans proline' 0 C--O 1.233 0.262 0 C-N-CA 122.956 2.438 . . . . 1.21 113.286 -173.212 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 605' ' ' GLY . . . . . . . . . . . . . . . -144.52 167.64 26.98 Favored Glycine 0 N--CA 1.437 -1.288 0 CA-C-N 115.473 -0.785 . . . . 1.23 111.49 179.855 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 606' ' ' LYS . . . . . . . . . . . . . 36.0 mtmm -82.04 166.61 19.63 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-O 120.626 0.251 . . . . 3.47 110.52 179.779 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 607' ' ' ASN . . . . . . . . . . . . . 28.5 t-20 -58.6 131.91 52.23 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.149 0.5 . . . . 1.33 111.779 178.237 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 608' ' ' VAL . . . . . 0.551 HG11 ' HB ' ' A' ' 547' ' ' VAL . 93.2 t -88.1 -24.79 6.08 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.429 0 CA-C-N 115.607 -0.724 . . . . 0.3 111.898 -175.465 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 609' ' ' ALA . . . . . . . . . . . . . . . -61.14 -36.63 80.28 Favored 'General case' 0 C--O 1.237 0.426 0 CA-C-O 121.384 0.611 . . . . 0.44 110.956 178.482 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 610' ' ' ALA . . . . . . . . . . . . . . . -61.82 -28.22 69.32 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.794 -0.639 . . . . 0.4 110.305 176.227 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 611' ' ' ILE . . . . . 0.438 ' CD1' HD12 ' A' ' 538' ' ' ILE . 72.6 mt -71.88 -32.2 43.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 115.575 -0.739 . . . . 0.25 110.015 178.929 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 612' ' ' ILE . . . . . 0.487 HG12 HD13 ' A' ' 542' ' ' LEU . 48.8 mt -60.5 -44.72 97.07 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.244 0 CA-C-O 121.248 0.547 . . . . 0.31 109.677 175.189 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 613' ' ' GLN . . . . . . . . . . . . . 12.5 mm100 -68.45 -29.46 68.11 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.71 -0.677 . . . . 2.31 110.19 177.614 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 614' ' ' ASP . . . . . 0.429 ' O ' ' HG3' ' A' ' 618' ' ' GLN . 7.8 t70 -65.65 -41.12 92.93 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.533 -0.758 . . . . 1.95 109.672 177.269 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 615' ' ' ILE . . . . . 0.45 ' CD1' ' HB2' ' A' ' 542' ' ' LEU . 88.5 mt -61.02 -43.71 96.7 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.168 0 CA-C-O 121.009 0.433 . . . . 0.35 110.3 174.768 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 616' ' ' HIS . . . . . . . . . . . . . 81.3 m-70 -63.37 -26.22 68.65 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.685 -0.688 . . . . 1.26 110.909 177.769 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 617' ' ' SER . . . . . . . . . . . . . 34.7 m -74.67 -26.6 59.96 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.256 -0.429 . . . . 1.18 110.86 174.626 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 618' ' ' GLN . . . . . 0.429 ' HG3' ' O ' ' A' ' 614' ' ' ASP . 72.1 mt-30 -90.09 95.36 10.17 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.328 -0.396 . . . . 4.68 110.931 -178.338 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 619' ' ' ARG . . . . . . . . . . . . . 92.0 mtt180 62.77 178.13 0.14 Allowed 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 115.559 -0.746 . . . . 7.77 111.644 -179.522 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 620' ' ' GLU . . . . . . . . . . . . . 48.9 mm-40 55.91 46.71 21.52 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-N 115.864 -0.607 . . . . 7.92 110.977 -179.839 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 621' ' ' ARG . . . . . . . . . . . . . 83.2 mtp180 . . . . . 0 C--O 1.249 1.058 0 CA-C-O 118.348 -0.834 . . . . 11.0 110.152 -178.827 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 1' ' ' ADN . . . . . 0.422 " H2'" ' C6 ' ' B' ' 2' ' ' ' U' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 2' ' ' ' U' . . . . . 0.422 ' C6 ' " H2'" ' B' ' 1' ' ' ADN . . . . . . . . 0 O5'--C5' 1.427 -0.8 0 C3'-C2'-C1' 99.043 -2.73 . 0.0 '__' . 2.99 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 3' ' ' ' C' . . . . . 0.617 ' O2 ' ' HB3' ' A' ' 593' ' ' SER . . . . . . . . 0 O5'--C5' 1.426 -0.896 0 C3'-C2'-C1' 100.663 -0.93 . 0.594 2[ . 1.58 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 4' ' ' ' U' . . . . . 0.472 " H4'" ' SD ' ' A' ' 553' ' ' MET . . . . . . . . 0 O5'--C5' 1.425 -0.919 0 C4'-C3'-C2' 104.058 1.358 . 0.0 OUTLIER . 1.15 . . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 5' ' ' ' U' . . . . . 0.625 ' N3 ' HG23 ' A' ' 551' ' ' ILE . . . . . . . . 0 O5'--C5' 1.425 -0.913 0 C4'-C3'-C2' 103.976 1.276 . 0.141 4b . 1.33 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 6' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.963 0 C3'-C2'-C1' 100.767 -0.815 . 0.0 OUTLIER . 4.23 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 510' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.585 0 N-CA-C 111.595 -0.602 . . . . 8.88 111.595 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 511' ' ' ALA . . . . . . . . . . . . . . . -129.81 18.85 5.62 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.135 0.493 . . . . 6.64 110.416 178.506 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 512' ' ' MET . . . . . . . . . . . . . 22.8 ptp -89.91 163.89 14.8 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.712 -0.676 . . . . 6.33 110.654 -179.057 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 513' ' ' ALA . . . . . . . . . . . . . . . 57.93 33.74 23.54 Favored 'General case' 0 C--O 1.235 0.318 0 O-C-N 123.726 0.641 . . . . 4.2 111.213 178.626 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 514' ' ' GLN . . . . . 0.427 ' O ' ' HG2' ' A' ' 516' ' ' LYS . 16.0 mm100 67.3 113.06 0.04 OUTLIER 'General case' 0 N--CA 1.463 0.179 0 CA-C-N 115.567 -0.742 . . . . 2.88 110.893 -176.575 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 515' ' ' ARG . . . . . . . . . . . . . 80.8 mtp180 -46.64 120.59 3.01 Favored 'General case' 0 N--CA 1.467 0.412 0 CA-C-N 115.685 -0.689 . . . . 4.0 112.347 -176.817 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 516' ' ' LYS . . . . . 0.688 ' HE2' ' SD ' ' A' ' 592' ' ' MET . 41.4 mmtm -139.11 21.85 2.61 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-N 116.128 -0.487 . . . . 1.89 110.357 175.964 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 517' ' ' GLY . . . . . . . . . . . . . . . -98.41 -100.35 2.16 Favored Glycine 0 N--CA 1.449 -0.49 0 C-N-CA 120.928 -0.653 . . . . 2.04 111.638 177.611 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 518' ' ' ALA . . . . . . . . . . . . . . . -84.01 55.57 3.35 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.346 0.593 . . . . 1.75 110.231 177.948 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 519' ' ' GLY . . . . . . . . . . . . . . . 155.49 97.35 0.14 Allowed Glycine 0 N--CA 1.443 -0.863 0 CA-C-N 115.333 -0.849 . . . . 0.67 111.181 -177.428 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 520' ' ' ARG . . . . . . . . . . . . . 15.8 mtm-85 -124.54 133.22 53.37 Favored 'General case' 0 C--N 1.323 -0.583 0 C-N-CA 120.791 -0.364 . . . . 2.22 110.262 178.537 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 521' ' ' VAL . . . . . 0.718 HG13 HD21 ' A' ' 599' ' ' LEU . 63.5 t -118.65 120.41 64.08 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 CA-C-N 116.087 -0.506 . . . . 0.32 110.418 168.743 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 522' ' ' VAL . . . . . 0.547 ' HB ' ' O ' ' A' ' 561' ' ' LEU . 26.1 t -120.27 122.11 67.44 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.867 0 N-CA-C 107.753 -1.203 . . . . 0.22 107.753 175.693 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 523' ' ' HIS . . . . . 0.413 ' HB2' ' OG ' ' A' ' 593' ' ' SER . 59.4 t-80 -105.44 133.56 49.99 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 121.096 0.474 . . . . 0.44 110.585 -173.21 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 524' ' ' ILE . . . . . 0.438 HG23 HG12 ' A' ' 590' ' ' ILE . 23.0 mt -110.9 137.33 43.81 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.907 0 N-CA-C 108.445 -0.946 . . . . 0.19 108.445 177.092 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 525' ' ' CYS . . . . . 0.437 ' O ' ' HB2' ' A' ' 526' ' ' ASN . 0.0 OUTLIER -132.47 158.39 42.17 Favored 'General case' 0 C--N 1.316 -0.881 0 C-N-CA 120.665 -0.414 . . . . 1.17 110.97 -172.761 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 526' ' ' ASN . . . . . 0.437 ' HB2' ' O ' ' A' ' 525' ' ' CYS . 84.8 m-20 84.94 29.29 0.06 Allowed 'General case' 0 N--CA 1.469 0.476 0 O-C-N 124.748 1.28 . . . . 0.26 110.913 172.555 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 527' ' ' LEU . . . . . 0.457 ' HB3' ' SG ' ' A' ' 532' ' ' CYS . 80.2 mt -85.03 123.3 73.75 Favored Pre-proline 0 C--N 1.323 -0.546 0 N-CA-C 109.111 -0.7 . . . . 0.25 109.111 177.643 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 528' ' ' PRO . . . . . 0.413 ' HD3' ' HA ' ' A' ' 527' ' ' LEU . 3.1 Cg_exo -75.04 134.68 18.03 Favored 'Trans proline' 0 N--CA 1.459 -0.519 0 C-N-CA 121.841 1.694 . . . . 0.38 111.824 179.05 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 529' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -65.3 139.59 58.61 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 109.499 -0.556 . . . . 1.6 109.499 175.455 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 530' ' ' GLY . . . . . . . . . . . . . . . 90.54 4.71 70.11 Favored Glycine 0 N--CA 1.444 -0.785 0 N-CA-C 110.592 -1.003 . . . . 0.48 110.592 -171.25 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 531' ' ' SER . . . . . . . . . . . . . 66.7 m -156.14 2.4 0.16 Allowed 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.142 0.496 . . . . 1.08 110.212 -174.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 532' ' ' CYS . . . . . 0.489 ' HB2' ' HD2' ' A' ' 554' ' ' LYS . 69.9 m -85.84 79.08 9.38 Favored 'General case' 0 CA--C 1.51 -0.559 0 N-CA-C 108.495 -0.928 . . . . 0.25 108.495 176.335 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 533' ' ' THR . . . . . 0.518 ' O ' HG23 ' A' ' 537' ' ' VAL . 33.6 p -96.4 151.15 19.82 Favored 'General case' 0 C--N 1.315 -0.897 0 C-N-CA 119.761 -0.776 . . . . 0.35 108.957 -178.819 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 534' ' ' GLU . . . . . 0.497 ' N ' HD11 ' A' ' 552' ' ' LEU . 42.7 mt-10 -65.8 -34.48 78.27 Favored 'General case' 0 C--N 1.316 -0.849 0 N-CA-C 108.831 -0.803 . . . . 1.64 108.831 176.226 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 535' ' ' ASN . . . . . . . . . . . . . 5.9 t-20 -64.84 -47.0 79.53 Favored 'General case' 0 C--O 1.216 -0.685 0 CA-C-N 114.626 -1.17 . . . . 1.82 111.159 -177.04 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 536' ' ' ASP . . . . . 0.41 ' HA ' ' ND2' ' A' ' 539' ' ' ASN . 10.6 m-20 -69.69 -44.21 70.91 Favored 'General case' 0 N--CA 1.477 0.921 0 CA-C-O 121.401 0.62 . . . . 0.61 111.408 -175.425 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 537' ' ' VAL . . . . . 0.518 HG23 ' O ' ' A' ' 533' ' ' THR . 46.5 t -59.74 -45.77 94.21 Favored 'Isoleucine or valine' 0 C--O 1.241 0.615 0 CA-C-N 115.037 -0.983 . . . . 0.15 109.779 179.777 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 538' ' ' ILE . . . . . 0.665 HG23 HG21 ' A' ' 547' ' ' VAL . 38.3 mt -68.05 -32.61 56.88 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.815 0 CA-C-N 115.124 -0.944 . . . . 0.23 111.385 174.609 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 539' ' ' ASN . . . . . 0.454 ' HA ' HD11 ' A' ' 615' ' ' ILE . 96.8 m-20 -57.92 -27.45 63.36 Favored 'General case' 0 CA--C 1.514 -0.43 0 N-CA-C 110.231 -0.285 . . . . 0.25 110.231 176.291 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 540' ' ' LEU . . . . . 0.421 HD11 HD12 ' A' ' 588' ' ' LEU . 88.2 mt -75.58 -41.46 54.55 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 109.518 -0.549 . . . . 0.27 109.518 174.098 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 541' ' ' GLY . . . . . 0.502 ' CA ' HD21 ' A' ' 561' ' ' LEU . . . -66.52 -52.63 33.53 Favored Glycine 0 CA--C 1.525 0.718 0 N-CA-C 116.021 1.168 . . . . 0.19 116.021 -178.936 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 542' ' ' LEU . . . . . 0.546 ' HB2' ' CD1' ' A' ' 615' ' ' ILE . 51.3 mt -58.02 -45.42 99.77 Favored Pre-proline 0 C--N 1.321 -0.633 0 N-CA-C 114.981 1.474 . . . . 0.2 114.981 -168.131 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 543' ' ' PRO . . . . . 0.409 ' HG3' HG21 ' A' ' 615' ' ' ILE . 52.3 Cg_exo -59.7 -25.61 79.6 Favored 'Trans proline' 0 C--N 1.349 0.577 0 C-N-CA 122.053 1.835 . . . . 0.23 113.654 -177.221 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 544' ' ' PHE . . . . . 0.405 ' HB2' ' HE2' ' A' ' 572' ' ' MET . 92.8 m-85 -99.92 -15.65 18.27 Favored 'General case' 0 C--O 1.233 0.19 0 O-C-N 121.985 -0.447 . . . . 0.33 111.203 178.183 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 545' ' ' GLY . . . . . 0.506 ' O ' ' HA ' ' A' ' 542' ' ' LEU . . . 177.57 157.19 17.93 Favored Glycine 0 C--O 1.226 -0.395 0 C-N-CA 120.789 -0.72 . . . . 0.44 112.258 179.512 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 546' ' ' LYS . . . . . . . . . . . . . 66.5 tttm -66.11 126.84 29.91 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.926 0.393 . . . . 2.07 110.944 -179.299 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 547' ' ' VAL . . . . . 0.665 HG21 HG23 ' A' ' 538' ' ' ILE . 72.2 t -83.14 115.43 25.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-N 115.808 -0.633 . . . . 0.2 110.616 178.087 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 548' ' ' THR . . . . . . . . . . . . . 22.6 p -93.21 -35.51 13.09 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 116.095 -0.502 . . . . 0.31 111.606 178.925 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 549' ' ' ASN . . . . . 0.478 ' HB2' ' HB2' ' A' ' 562' ' ' GLU . 31.7 m-80 -145.49 158.39 43.85 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.946 0.403 . . . . 1.26 110.782 -179.769 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 550' ' ' TYR . . . . . 0.574 ' CG ' HD11 ' A' ' 538' ' ' ILE . 5.3 p90 -161.59 150.3 15.74 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.803 -0.635 . . . . 0.31 109.8 -179.901 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 551' ' ' ILE . . . . . 0.625 HG23 ' N3 ' ' B' ' 5' ' ' ' U' . 66.9 mt -144.69 124.53 7.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 N-CA-C 108.551 -0.907 . . . . 0.22 108.551 -176.116 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 552' ' ' LEU . . . . . 0.497 HD11 ' N ' ' A' ' 534' ' ' GLU . 29.6 mt -106.97 121.16 43.9 Favored 'General case' 0 C--N 1.316 -0.872 0 C-N-CA 120.322 -0.551 . . . . 0.43 111.137 -177.862 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 553' ' ' MET . . . . . 0.486 ' HA ' " H4'" ' B' ' 5' ' ' ' U' . 67.2 mtm -109.11 82.32 1.58 Allowed 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 109.211 -0.663 . . . . 1.03 109.211 177.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 554' ' ' LYS . . . . . 0.489 ' HD2' ' HB2' ' A' ' 532' ' ' CYS . 23.9 mmtp -53.15 -29.4 31.08 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 114.677 -1.147 . . . . 1.03 112.873 175.726 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 555' ' ' SER . . . . . . . . . . . . . 65.1 p -67.72 -41.42 83.54 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.893 0.378 . . . . 0.51 111.274 -173.871 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 556' ' ' THR . . . . . 0.404 ' O ' ' HG3' ' A' ' 558' ' ' GLN . 44.0 p -99.3 1.44 44.55 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.325 -0.398 . . . . 0.45 111.821 -177.201 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 557' ' ' ASN . . . . . . . . . . . . . 81.3 m-20 59.54 40.43 20.43 Favored 'General case' 0 N--CA 1.467 0.385 0 CA-C-O 121.694 0.759 . . . . 1.28 110.081 -175.462 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 558' ' ' GLN . . . . . 0.404 ' HG3' ' O ' ' A' ' 556' ' ' THR . 72.3 mt-30 -139.69 166.0 25.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.067 -0.969 . . . . 0.84 109.575 -176.069 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 559' ' ' ALA . . . . . . . . . . . . . . . -157.91 166.71 31.94 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.109 0.48 . . . . 0.16 112.173 -178.293 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 560' ' ' PHE . . . . . 0.452 ' HB2' ' HB ' ' A' ' 551' ' ' ILE . 97.7 m-85 -118.82 145.31 45.75 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.5 -0.773 . . . . 0.35 110.569 176.809 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 561' ' ' LEU . . . . . 0.547 ' O ' ' HB ' ' A' ' 522' ' ' VAL . 62.1 tp -136.62 119.45 16.25 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.065 -0.516 . . . . 0.2 110.348 179.758 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 562' ' ' GLU . . . . . 0.478 ' HB2' ' HB2' ' A' ' 549' ' ' ASN . 0.1 OUTLIER -101.17 135.82 42.03 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.844 -0.616 . . . . 2.09 110.307 178.72 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 563' ' ' MET . . . . . 0.61 ' SD ' ' HA ' ' A' ' 569' ' ' ALA . 35.1 mtt -124.45 149.02 47.26 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.541 -0.754 . . . . 0.39 109.101 -171.672 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 564' ' ' ALA . . . . . . . . . . . . . . . -71.32 -16.28 62.44 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.874 0.368 . . . . 0.5 111.722 -171.659 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 565' ' ' TYR . . . . . 0.469 ' HB3' ' HG2' ' A' ' 567' ' ' GLU . 98.7 m-85 -141.23 144.06 34.5 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 116.138 -0.483 . . . . 1.15 110.12 -178.094 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 566' ' ' THR . . . . . . . . . . . . . 6.8 t -67.62 -26.74 66.4 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.862 -0.608 . . . . 0.57 109.821 177.664 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 567' ' ' GLU . . . . . 0.469 ' HG2' ' HB3' ' A' ' 565' ' ' TYR . 12.0 pt-20 -58.25 -32.53 68.44 Favored 'General case' 0 C--N 1.334 -0.075 0 CA-C-N 115.596 -0.729 . . . . 0.89 110.449 176.02 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 568' ' ' ALA . . . . . 0.654 ' O ' ' HG3' ' A' ' 572' ' ' MET . . . -73.33 -42.96 61.67 Favored 'General case' 0 N--CA 1.449 -0.485 0 CA-C-N 115.846 -0.616 . . . . 0.26 109.876 -178.38 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 569' ' ' ALA . . . . . 0.61 ' HA ' ' SD ' ' A' ' 563' ' ' MET . . . -63.47 -46.1 87.75 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.841 -0.618 . . . . 0.24 111.045 -176.648 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 570' ' ' GLN . . . . . . . . . . . . . 13.5 pt20 -69.07 -35.97 77.12 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.124 -0.489 . . . . 1.24 110.59 -179.09 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 571' ' ' ALA . . . . . . . . . . . . . . . -63.58 -44.8 93.02 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-N 116.397 -0.365 . . . . 0.31 110.914 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 572' ' ' MET . . . . . 0.654 ' HG3' ' O ' ' A' ' 568' ' ' ALA . 34.7 mtt -64.5 -46.78 81.49 Favored 'General case' 0 CA--C 1.517 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.47 110.314 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 573' ' ' VAL . . . . . 0.659 ' O ' ' HG2' ' A' ' 577' ' ' GLN . 69.0 t -58.84 -48.17 87.07 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.285 0 C-N-CA 120.982 -0.287 . . . . 0.34 110.345 -179.44 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 574' ' ' GLN . . . . . . . . . . . . . 49.9 mt-30 -60.9 -38.73 86.71 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.797 0.332 . . . . 2.09 110.78 -179.874 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 575' ' ' TYR . . . . . . . . . . . . . 66.6 t80 -68.57 -52.45 31.6 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.934 -0.576 . . . . 0.48 110.749 -179.154 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 576' ' ' TYR . . . . . 0.592 ' CE2' HD12 ' A' ' 590' ' ' ILE . 61.3 m-85 -73.8 -13.58 60.96 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 112.652 0.612 . . . . 0.36 112.652 -176.918 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 577' ' ' GLN . . . . . 0.659 ' HG2' ' O ' ' A' ' 573' ' ' VAL . 15.9 mm-40 -64.56 -42.6 95.58 Favored 'General case' 0 C--N 1.331 -0.23 0 N-CA-C 109.166 -0.679 . . . . 1.89 109.166 171.219 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 578' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -91.92 -39.61 11.61 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.609 -0.723 . . . . 2.14 111.863 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 579' ' ' LYS . . . . . . . . . . . . . 94.6 mttt -129.51 85.67 58.13 Favored Pre-proline 0 C--N 1.328 -0.366 0 N-CA-C 110.142 -0.318 . . . . 2.46 110.142 178.39 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 580' ' ' PRO . . . . . . . . . . . . . 36.2 Cg_endo -65.71 160.67 42.43 Favored 'Trans proline' 0 CA--C 1.527 0.157 0 C-N-CA 122.604 2.202 . . . . 0.37 112.047 -179.623 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 581' ' ' ALA . . . . . 0.478 ' O ' ' HG ' ' A' ' 588' ' ' LEU . . . -90.82 130.33 36.8 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 109.465 -0.568 . . . . 0.27 109.465 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 582' ' ' ILE . . . . . . . . . . . . . 59.2 mt -105.46 121.3 57.45 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 CA-C-O 120.814 0.34 . . . . 0.51 111.711 -172.71 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 583' ' ' ILE . . . . . . . . . . . . . 33.2 mm -125.01 114.09 38.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 115.755 -0.657 . . . . 0.51 109.508 175.929 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 584' ' ' ASN . . . . . . . . . . . . . 67.7 m-20 58.63 32.7 22.44 Favored 'General case' 0 N--CA 1.469 0.485 0 CA-C-O 121.251 0.548 . . . . 1.1 110.225 -177.131 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 585' ' ' GLY . . . . . . . . . . . . . . . 83.76 3.17 89.61 Favored Glycine 0 N--CA 1.443 -0.842 0 CA-C-N 115.708 -0.678 . . . . 0.44 113.391 179.223 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 586' ' ' GLU . . . . . . . . . . . . . 8.6 mm-40 -101.13 125.46 47.75 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 117.262 0.531 . . . . 1.79 110.407 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 587' ' ' LYS . . . . . . . . . . . . . 95.7 mttt -76.47 116.35 17.07 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.72 -0.673 . . . . 1.67 111.413 177.854 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 588' ' ' LEU . . . . . 0.478 ' HG ' ' O ' ' A' ' 581' ' ' ALA . 43.8 mt -79.56 136.52 36.89 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.03 -0.532 . . . . 0.24 110.193 179.679 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 589' ' ' LEU . . . . . . . . . . . . . 41.4 tp -112.67 111.74 22.76 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 116.048 -0.523 . . . . 0.38 110.612 -179.233 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 590' ' ' ILE . . . . . 0.592 HD12 ' CE2' ' A' ' 576' ' ' TYR . 20.5 mt -102.0 118.93 49.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 N-CA-C 109.902 -0.407 . . . . 0.26 109.902 176.598 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 591' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -147.29 166.0 28.39 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.924 0.392 . . . . 2.62 110.688 -178.316 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 592' ' ' MET . . . . . 0.688 ' SD ' ' HE2' ' A' ' 516' ' ' LYS . 61.8 mtt -81.9 144.22 31.12 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.012 -0.54 . . . . 0.34 110.118 -177.002 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 593' ' ' SER . . . . . 0.617 ' HB3' ' O2 ' ' B' ' 3' ' ' ' C' . 20.0 m -94.14 137.82 32.89 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.666 0.746 . . . . 1.37 112.843 -172.334 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 594' ' ' THR . . . . . . . . . . . . . 18.1 p -91.78 -17.49 25.28 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 114.453 -1.249 . . . . 0.38 112.631 -177.166 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 595' ' ' ARG . . . . . 0.508 ' HD2' " O2'" ' B' ' 3' ' ' ' C' . 94.4 mtt180 -100.08 -28.99 12.77 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 112.395 0.517 . . . . 2.75 112.395 -167.633 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 596' ' ' TYR . . . . . . . . . . . . . 42.0 m-85 -124.46 149.3 46.96 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.989 0.423 . . . . 0.65 111.807 -178.37 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 597' ' ' LYS . . . . . . . . . . . . . 71.8 mmtt -109.55 -12.67 14.66 Favored 'General case' 0 C--O 1.222 -0.352 0 CA-C-N 115.564 -0.744 . . . . 2.18 111.839 179.89 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 598' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -142.84 151.9 41.6 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.079 0.466 . . . . 0.95 111.143 -177.3 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 599' ' ' LEU . . . . . 0.718 HD21 HG13 ' A' ' 521' ' ' VAL . 62.9 mt -116.24 122.8 46.04 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.428 -0.805 . . . . 0.45 110.675 176.31 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 600' ' ' GLN . . . . . . . . . . . . . 30.0 tt0 -112.6 132.77 54.98 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.737 -0.665 . . . . 1.52 110.0 178.059 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 601' ' ' LEU . . . . . . . . . . . . . 60.6 mt -82.17 92.95 6.97 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.913 0.387 . . . . 0.46 111.061 -179.415 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 602' ' ' LYS . . . . . . . . . . . . . 9.1 mtpm? -77.41 -17.74 57.88 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.096 0.474 . . . . 1.73 110.063 175.122 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 603' ' ' LYS . . . . . . . . . . . . . 34.7 mmtp -121.49 142.41 35.49 Favored Pre-proline 0 C--N 1.325 -0.466 0 CA-C-N 115.775 -0.648 . . . . 1.69 109.737 177.663 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 604' ' ' PRO . . . . . . . . . . . . . 58.6 Cg_endo -72.56 160.05 47.5 Favored 'Trans proline' 0 C--O 1.236 0.413 0 C-N-CA 122.332 2.021 . . . . 1.21 112.576 -178.554 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 605' ' ' GLY . . . . . . . . . . . . . . . -138.64 173.0 22.79 Favored Glycine 0 N--CA 1.436 -1.3 0 N-CA-C 110.292 -1.123 . . . . 1.23 110.292 179.561 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 606' ' ' LYS . . . . . . . . . . . . . 51.1 mtmt -97.85 176.75 5.68 Favored 'General case' 0 C--N 1.31 -1.12 0 N-CA-C 110.07 -0.344 . . . . 3.47 110.07 179.49 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 607' ' ' ASN . . . . . . . . . . . . . 31.5 t30 -57.65 121.7 11.0 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.221 0.534 . . . . 1.33 111.067 176.384 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 608' ' ' VAL . . . . . 0.532 HG11 ' HB ' ' A' ' 547' ' ' VAL . 57.9 t -79.74 -21.14 12.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 115.505 -0.771 . . . . 0.3 110.885 -177.095 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 609' ' ' ALA . . . . . . . . . . . . . . . -66.1 -36.17 82.45 Favored 'General case' 0 C--O 1.236 0.377 0 CA-C-O 121.499 0.666 . . . . 0.44 110.705 176.745 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 610' ' ' ALA . . . . . . . . . . . . . . . -63.75 -26.87 68.84 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.741 -0.663 . . . . 0.4 109.999 177.813 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 611' ' ' ILE . . . . . 0.419 ' CD1' HD12 ' A' ' 538' ' ' ILE . 70.0 mt -70.56 -30.85 44.25 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.406 0 CA-C-N 115.393 -0.821 . . . . 0.25 109.714 177.825 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 612' ' ' ILE . . . . . 0.478 ' CG1' HD13 ' A' ' 542' ' ' LEU . 66.9 mt -60.5 -40.49 84.48 Favored 'Isoleucine or valine' 0 C--O 1.233 0.234 0 N-CA-C 109.526 -0.546 . . . . 0.31 109.526 172.312 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 613' ' ' GLN . . . . . . . . . . . . . 32.6 mm-40 -62.67 -34.66 77.55 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.806 -0.633 . . . . 2.31 110.274 175.825 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 614' ' ' ASP . . . . . 0.441 ' O ' ' HG2' ' A' ' 618' ' ' GLN . 40.1 m-20 -66.26 -43.59 86.04 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.769 -0.651 . . . . 1.95 110.439 178.775 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 615' ' ' ILE . . . . . 0.546 ' CD1' ' HB2' ' A' ' 542' ' ' LEU . 88.3 mt -61.27 -44.74 98.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.364 -0.38 . . . . 0.35 110.668 177.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 616' ' ' HIS . . . . . . . . . . . . . 9.8 m-70 -63.03 -30.36 71.54 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.031 -0.531 . . . . 1.26 110.757 177.84 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 617' ' ' SER . . . . . . . . . . . . . 31.4 t -74.28 -24.92 59.32 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.939 -0.573 . . . . 1.18 110.775 178.199 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 618' ' ' GLN . . . . . 0.441 ' HG2' ' O ' ' A' ' 614' ' ' ASP . 13.9 mm100 -92.87 97.72 10.92 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.364 0.602 . . . . 4.68 111.559 -177.448 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 619' ' ' ARG . . . . . . . . . . . . . 18.2 mtp180 -121.37 99.11 6.29 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.347 -0.842 . . . . 7.77 109.504 178.252 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 620' ' ' GLU . . . . . . . . . . . . . 8.3 tp10 -81.05 48.62 1.13 Allowed 'General case' 0 CA--C 1.534 0.328 0 CA-C-O 121.189 0.519 . . . . 7.92 110.773 -176.067 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 621' ' ' ARG . . . . . . . . . . . . . 61.6 ttp180 . . . . . 0 C--O 1.248 0.982 0 CA-C-N 115.762 -0.654 . . . . 11.0 109.415 178.501 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 1' ' ' ADN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 2' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.824 0 C4'-C3'-O3' 113.856 1.252 OUTLIER-EPSILON 0.0 '__' . 2.99 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 3' ' ' ' C' . . . . . 0.457 " H2'" ' HD2' ' A' ' 595' ' ' ARG . . . . . . . . 0 O5'--C5' 1.425 -0.926 0 P-O3'-C3' 123.093 2.827 . 0.0 OUTLIER epsilon-1 1.58 . . . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 4' ' ' ' U' . . . . . 0.454 ' O4 ' ' HA ' ' A' ' 599' ' ' LEU . . . . . . . . 0 O5'--C5' 1.425 -0.921 0 C3'-C2'-C1' 100.222 -1.42 . 0.0 OUTLIER gamma 1.15 . . . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 5' ' ' ' U' . . . . . 0.635 ' C4 ' HG23 ' A' ' 551' ' ' ILE . . . . . . . . 0 O5'--C5' 1.425 -0.956 0 C3'-C2'-C1' 100.326 -1.304 . 0.624 4b . 1.33 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 6' ' ' ' A' . . . . . 0.47 " C5'" ' HB2' ' A' ' 554' ' ' LYS . . . . . . . . 0 O5'--C5' 1.427 -0.799 0 C4'-C3'-C2' 103.31 0.61 . 0.0 OUTLIER gamma 4.23 . . . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 510' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.665 0 N-CA-C 112.031 -0.428 . . . . 8.88 112.031 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 511' ' ' ALA . . . . . . . . . . . . . . . -157.23 153.54 27.72 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 109.817 -0.438 . . . . 6.64 109.817 178.877 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 512' ' ' MET . . . . . 0.415 ' C ' ' H ' ' A' ' 514' ' ' GLN . 27.3 ttt 73.14 -46.62 0.65 Allowed 'General case' 0 N--CA 1.47 0.533 0 C-N-CA 123.453 0.701 . . . . 6.33 111.871 179.471 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 513' ' ' ALA . . . . . . . . . . . . . . . -80.02 32.64 0.27 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.497 0.665 . . . . 4.2 110.952 -179.824 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 514' ' ' GLN . . . . . 0.415 ' H ' ' C ' ' A' ' 512' ' ' MET . 93.3 mt-30 -99.32 136.24 39.56 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.381 -0.827 . . . . 2.88 109.337 178.639 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 515' ' ' ARG . . . . . . . . . . . . . 22.1 mmt180 -77.41 121.13 23.37 Favored 'General case' 0 C--N 1.319 -0.737 0 N-CA-C 109.803 -0.443 . . . . 4.0 109.803 -179.874 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 516' ' ' LYS . . . . . . . . . . . . . 30.3 mmtp -138.04 22.74 2.82 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.87 -0.604 . . . . 1.89 109.904 -179.816 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 517' ' ' GLY . . . . . . . . . . . . . . . -78.27 -85.22 0.52 Allowed Glycine 0 N--CA 1.447 -0.622 0 CA-C-N 115.597 -0.729 . . . . 2.04 111.504 179.64 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 518' ' ' ALA . . . . . . . . . . . . . . . -104.51 -3.72 23.58 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.262 0.553 . . . . 1.75 110.424 177.844 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 519' ' ' GLY . . . . . . . . . . . . . . . -123.91 97.26 0.55 Allowed Glycine 0 N--CA 1.444 -0.828 0 CA-C-N 115.226 -0.897 . . . . 0.67 111.721 178.483 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 520' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -110.62 134.2 52.64 Favored 'General case' 0 C--N 1.325 -0.487 0 C-N-CA 120.235 -0.586 . . . . 2.22 109.591 174.119 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 521' ' ' VAL . . . . . 0.843 HG13 HD21 ' A' ' 599' ' ' LEU . 89.2 t -117.1 121.39 67.64 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.813 0 CA-C-N 115.784 -0.644 . . . . 0.32 110.733 172.04 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 522' ' ' VAL . . . . . . . . . . . . . 22.8 t -121.64 121.35 64.21 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.823 0 N-CA-C 108.546 -0.909 . . . . 0.22 108.546 179.521 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 523' ' ' HIS . . . . . . . . . . . . . 33.4 t-80 -106.19 134.05 49.93 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.093 0.473 . . . . 0.44 109.992 -176.179 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 524' ' ' ILE . . . . . 0.449 HG23 HG12 ' A' ' 590' ' ' ILE . 28.5 mt -111.75 143.02 22.38 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.963 0 N-CA-C 108.684 -0.858 . . . . 0.19 108.684 178.559 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 525' ' ' CYS . . . . . 0.584 ' SG ' ' HB3' ' A' ' 589' ' ' LEU . 7.6 p -139.7 164.28 30.34 Favored 'General case' 0 C--N 1.314 -0.938 0 C-N-CA 120.68 -0.408 . . . . 1.17 111.299 -178.114 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 526' ' ' ASN . . . . . 0.437 ' HB2' ' O ' ' A' ' 525' ' ' CYS . 83.9 m-20 86.9 27.38 0.04 OUTLIER 'General case' 0 N--CA 1.47 0.536 0 O-C-N 124.863 1.352 . . . . 0.26 110.706 174.766 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 527' ' ' LEU . . . . . . . . . . . . . 80.1 mt -84.26 124.18 74.26 Favored Pre-proline 0 C--N 1.325 -0.469 0 N-CA-C 109.011 -0.737 . . . . 0.25 109.011 177.161 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 528' ' ' PRO . . . . . . . . . . . . . 7.6 Cg_exo -71.99 135.2 24.9 Favored 'Trans proline' 0 N--CA 1.459 -0.522 0 C-N-CA 121.56 1.507 . . . . 0.38 111.614 -179.666 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 529' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -65.19 138.85 58.52 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 116.003 -0.544 . . . . 1.6 110.089 177.638 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 530' ' ' GLY . . . . . . . . . . . . . . . 85.9 5.15 84.05 Favored Glycine 0 N--CA 1.444 -0.799 0 C-N-CA 120.053 -1.07 . . . . 0.48 110.559 -173.726 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 531' ' ' SER . . . . . . . . . . . . . 57.7 m -150.53 6.7 0.56 Allowed 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.192 0.52 . . . . 1.08 110.176 -174.626 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 532' ' ' CYS . . . . . . . . . . . . . 62.0 m -87.94 86.03 7.08 Favored 'General case' 0 CA--C 1.515 -0.397 0 N-CA-C 109.132 -0.692 . . . . 0.25 109.132 177.958 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 533' ' ' THR . . . . . 0.539 ' O ' HG23 ' A' ' 537' ' ' VAL . 29.1 p -99.76 151.85 20.78 Favored 'General case' 0 N--CA 1.443 -0.803 0 C-N-CA 119.837 -0.745 . . . . 0.35 109.04 -178.661 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 534' ' ' GLU . . . . . 0.572 ' N ' HD11 ' A' ' 552' ' ' LEU . 48.0 mt-10 -66.13 -34.05 77.17 Favored 'General case' 0 C--N 1.317 -0.81 0 N-CA-C 108.539 -0.912 . . . . 1.64 108.539 175.029 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 535' ' ' ASN . . . . . . . . . . . . . 14.4 t-20 -61.14 -49.84 75.62 Favored 'General case' 0 C--O 1.219 -0.526 0 CA-C-N 114.272 -1.331 . . . . 1.82 112.12 -176.88 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 536' ' ' ASP . . . . . . . . . . . . . 12.5 m-20 -69.63 -44.2 71.15 Favored 'General case' 0 N--CA 1.472 0.658 0 CA-C-O 121.629 0.728 . . . . 0.61 111.058 -174.396 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 537' ' ' VAL . . . . . 0.539 HG23 ' O ' ' A' ' 533' ' ' THR . 33.2 t -60.08 -47.66 91.02 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.776 0 CA-C-N 114.528 -1.214 . . . . 0.15 109.75 -178.615 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 538' ' ' ILE . . . . . 0.617 HD11 ' CG ' ' A' ' 550' ' ' TYR . 66.6 mt -68.39 -34.06 63.77 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.664 0 CA-C-N 115.347 -0.842 . . . . 0.23 111.575 176.029 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 539' ' ' ASN . . . . . 0.579 ' HA ' HD11 ' A' ' 615' ' ' ILE . 95.3 m-20 -58.31 -27.02 63.71 Favored 'General case' 0 CA--C 1.512 -0.513 0 C-N-CA 120.966 -0.294 . . . . 0.25 110.521 177.558 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 540' ' ' LEU . . . . . 0.506 HD11 HD12 ' A' ' 588' ' ' LEU . 83.0 mt -76.05 -42.01 48.92 Favored 'General case' 0 C--N 1.324 -0.533 0 C-N-CA 120.724 -0.39 . . . . 0.27 110.271 173.736 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 541' ' ' GLY . . . . . 0.559 ' CA ' HD21 ' A' ' 561' ' ' LEU . . . -61.13 -49.92 72.92 Favored Glycine 0 CA--C 1.523 0.593 0 N-CA-C 115.772 1.069 . . . . 0.19 115.772 179.87 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 542' ' ' LEU . . . . . 0.496 ' HA ' ' O ' ' A' ' 545' ' ' GLY . 74.8 mt -63.62 -41.3 64.89 Favored Pre-proline 0 C--N 1.319 -0.744 0 N-CA-C 115.219 1.563 . . . . 0.2 115.219 -168.541 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 543' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_exo -61.0 -26.82 83.84 Favored 'Trans proline' 0 CA--C 1.531 0.348 0 C-N-CA 121.565 1.51 . . . . 0.23 113.851 -179.026 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 544' ' ' PHE . . . . . 0.612 ' HB2' ' HE1' ' A' ' 572' ' ' MET . 86.1 m-85 -99.66 -15.16 18.65 Favored 'General case' 0 C--O 1.234 0.237 0 O-C-N 122.073 -0.392 . . . . 0.33 111.652 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 545' ' ' GLY . . . . . 0.496 ' O ' ' HA ' ' A' ' 542' ' ' LEU . . . -175.51 -174.42 42.08 Favored Glycine 0 C--O 1.223 -0.533 0 C-N-CA 120.704 -0.76 . . . . 0.44 112.454 -177.522 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 546' ' ' LYS . . . . . . . . . . . . . 39.9 ttpt -95.61 123.52 39.2 Favored 'General case' 0 C--N 1.32 -0.712 0 O-C-N 122.072 -0.664 . . . . 2.07 109.708 -178.569 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 547' ' ' VAL . . . . . 0.598 ' HB ' HG11 ' A' ' 608' ' ' VAL . 76.8 t -84.5 113.5 23.32 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-O 121.144 0.497 . . . . 0.2 110.323 177.063 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 548' ' ' THR . . . . . . . . . . . . . 21.9 p -95.06 -35.48 11.91 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 115.699 -0.682 . . . . 0.31 111.202 177.926 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 549' ' ' ASN . . . . . 0.494 ' OD1' HD11 ' A' ' 601' ' ' LEU . 94.7 m-20 -142.41 158.01 44.16 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.841 -0.618 . . . . 1.26 110.638 -178.136 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 550' ' ' TYR . . . . . 0.617 ' CG ' HD11 ' A' ' 538' ' ' ILE . 2.7 p90 -159.48 151.59 20.85 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.562 -0.744 . . . . 0.31 109.385 -179.078 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 551' ' ' ILE . . . . . 0.635 HG23 ' C4 ' ' B' ' 5' ' ' ' U' . 66.9 mt -144.27 123.88 7.66 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 N-CA-C 108.456 -0.942 . . . . 0.22 108.456 -175.924 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 552' ' ' LEU . . . . . 0.572 HD11 ' N ' ' A' ' 534' ' ' GLU . 22.2 mt -106.58 113.45 26.97 Favored 'General case' 0 C--N 1.316 -0.86 0 C-N-CA 119.954 -0.698 . . . . 0.43 110.404 -179.167 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 553' ' ' MET . . . . . 0.47 ' HA ' " C4'" ' B' ' 5' ' ' ' U' . 28.0 mtp -97.62 79.8 2.75 Favored 'General case' 0 C--N 1.319 -0.752 0 N-CA-C 108.113 -1.069 . . . . 1.03 108.113 -176.739 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 554' ' ' LYS . . . . . 0.47 ' HB2' " C5'" ' B' ' 6' ' ' ' A' . 28.9 mmtp -54.45 -29.22 48.85 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 114.794 -1.094 . . . . 1.03 113.104 177.859 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 555' ' ' SER . . . . . . . . . . . . . 67.4 p -69.17 -40.6 78.05 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 120.77 0.319 . . . . 0.51 111.313 -175.167 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 556' ' ' THR . . . . . . . . . . . . . 52.0 p -101.15 4.38 41.99 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 112.789 0.663 . . . . 0.45 112.789 -177.231 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 557' ' ' ASN . . . . . . . . . . . . . 2.6 m-20 58.78 39.93 23.59 Favored 'General case' 0 N--CA 1.469 0.523 0 CA-C-O 121.967 0.889 . . . . 1.28 109.907 -176.0 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 558' ' ' GLN . . . . . . . . . . . . . 26.7 mt-30 -137.89 169.29 18.04 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 114.763 -1.108 . . . . 0.84 109.367 -175.384 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 559' ' ' ALA . . . . . . . . . . . . . . . -157.95 165.27 35.59 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 118.036 0.38 . . . . 0.16 111.887 -178.828 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 560' ' ' PHE . . . . . 0.537 ' HB2' ' HB ' ' A' ' 551' ' ' ILE . 84.9 m-85 -119.06 149.48 41.59 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.235 -0.439 . . . . 0.35 110.475 173.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 561' ' ' LEU . . . . . 0.559 HD21 ' CA ' ' A' ' 541' ' ' GLY . 51.1 tp -138.42 119.65 14.66 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.542 -0.754 . . . . 0.2 110.052 -178.94 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 562' ' ' GLU . . . . . 0.549 ' HB2' HD12 ' A' ' 599' ' ' LEU . 29.3 tt0 -99.24 133.34 43.68 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.432 0.634 . . . . 2.09 110.846 -178.953 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 563' ' ' MET . . . . . 0.549 ' HE1' ' HG3' ' A' ' 572' ' ' MET . 10.0 mtt -120.57 144.13 48.25 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 114.91 -1.041 . . . . 0.39 109.423 -175.007 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 564' ' ' ALA . . . . . . . . . . . . . . . -67.44 -21.99 65.52 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 112.828 0.677 . . . . 0.5 112.828 -169.347 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 565' ' ' TYR . . . . . . . . . . . . . 77.9 m-85 -140.49 151.88 45.16 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 120.885 0.374 . . . . 1.15 110.271 178.369 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 566' ' ' THR . . . . . . . . . . . . . 14.0 t -65.84 -26.75 67.8 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.588 -0.733 . . . . 0.57 110.646 -177.637 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 567' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -56.21 -33.1 65.03 Favored 'General case' 0 C--O 1.233 0.194 0 CA-C-N 115.962 -0.563 . . . . 0.89 111.186 175.084 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 568' ' ' ALA . . . . . 0.761 ' O ' ' HG2' ' A' ' 572' ' ' MET . . . -73.6 -43.11 60.5 Favored 'General case' 0 N--CA 1.449 -0.519 0 CA-C-N 116.114 -0.494 . . . . 0.26 109.938 -175.831 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 569' ' ' ALA . . . . . 0.533 ' HA ' ' SD ' ' A' ' 563' ' ' MET . . . -62.03 -44.31 96.98 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.726 -0.67 . . . . 0.24 111.683 -175.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 570' ' ' GLN . . . . . 0.492 ' O ' ' HG2' ' A' ' 574' ' ' GLN . 9.3 pt20 -67.93 -36.01 79.41 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.386 -0.37 . . . . 1.24 110.443 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 571' ' ' ALA . . . . . . . . . . . . . . . -62.38 -39.65 93.89 Favored 'General case' 0 N--CA 1.454 -0.242 0 CA-C-N 116.315 -0.402 . . . . 0.31 110.693 177.91 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 572' ' ' MET . . . . . 0.761 ' HG2' ' O ' ' A' ' 568' ' ' ALA . 13.2 mmt -60.77 -49.57 76.97 Favored 'General case' 0 CA--C 1.519 -0.246 0 CA-C-N 116.048 -0.524 . . . . 0.47 109.739 177.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 573' ' ' VAL . . . . . . . . . . . . . 59.5 t -63.47 -47.63 90.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 115.57 -0.741 . . . . 0.34 110.626 -176.879 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 574' ' ' GLN . . . . . 0.492 ' HG2' ' O ' ' A' ' 570' ' ' GLN . 79.6 mm-40 -61.89 -39.45 92.0 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.759 0.314 . . . . 2.09 111.065 -178.497 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 575' ' ' TYR . . . . . . . . . . . . . 56.0 t80 -69.6 -53.42 18.91 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.273 -0.421 . . . . 0.48 110.908 -177.734 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 576' ' ' TYR . . . . . 0.562 ' CE2' HD12 ' A' ' 590' ' ' ILE . 63.1 m-85 -76.47 -13.19 60.12 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 113.146 0.795 . . . . 0.36 113.146 -173.872 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 577' ' ' GLN . . . . . . . . . . . . . 18.2 mm-40 -71.18 -40.73 71.05 Favored 'General case' 0 C--N 1.323 -0.55 0 C-N-CA 120.449 -0.5 . . . . 1.89 110.029 170.287 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 578' ' ' GLU . . . . . . . . . . . . . 18.8 mm-40 -87.11 -38.9 16.05 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.327 -0.397 . . . . 2.14 111.383 178.498 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 579' ' ' LYS . . . . . 0.462 ' O ' ' HA ' ' A' ' 576' ' ' TYR . 97.6 mttt -136.83 91.31 15.49 Favored Pre-proline 0 C--N 1.327 -0.407 0 N-CA-C 109.947 -0.39 . . . . 2.46 109.947 177.354 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 580' ' ' PRO . . . . . . . . . . . . . 36.6 Cg_endo -66.99 162.02 39.95 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.893 2.395 . . . . 0.37 112.542 -179.447 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 581' ' ' ALA . . . . . 0.537 ' HB2' ' CE1' ' A' ' 576' ' ' TYR . . . -90.25 129.06 36.54 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 109.691 -0.485 . . . . 0.27 109.691 179.717 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 582' ' ' ILE . . . . . . . . . . . . . 52.7 mt -98.71 119.9 47.33 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.703 0 CA-C-N 116.241 -0.436 . . . . 0.51 111.246 -172.515 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 583' ' ' ILE . . . . . 0.413 HG13 HD11 ' A' ' 588' ' ' LEU . 37.9 mm -123.45 112.17 32.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 N-CA-C 109.463 -0.569 . . . . 0.51 109.463 173.865 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 584' ' ' ASN . . . . . . . . . . . . . 80.3 m-20 57.58 33.68 23.57 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-O 121.342 0.591 . . . . 1.1 110.38 -178.955 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 585' ' ' GLY . . . . . . . . . . . . . . . 84.91 1.89 88.69 Favored Glycine 0 N--CA 1.444 -0.781 0 CA-C-N 115.398 -0.819 . . . . 0.44 113.499 179.624 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 586' ' ' GLU . . . . . . . . . . . . . 27.0 mm-40 -101.76 125.81 48.5 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 117.144 0.472 . . . . 1.79 110.806 -179.459 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 587' ' ' LYS . . . . . . . . . . . . . 50.8 mttp -74.28 117.57 16.24 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.494 -0.775 . . . . 1.67 110.989 176.757 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 588' ' ' LEU . . . . . 0.506 HD12 HD11 ' A' ' 540' ' ' LEU . 47.2 mt -79.57 134.17 36.47 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 109.991 -0.374 . . . . 0.24 109.991 176.817 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 589' ' ' LEU . . . . . 0.584 ' HB3' ' SG ' ' A' ' 525' ' ' CYS . 59.2 tp -111.59 111.36 22.31 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 115.991 -0.55 . . . . 0.38 110.088 -178.32 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 590' ' ' ILE . . . . . 0.562 HD12 ' CE2' ' A' ' 576' ' ' TYR . 17.4 mt -100.85 126.26 54.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 115.891 -0.595 . . . . 0.26 110.258 178.943 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 591' ' ' ARG . . . . . . . . . . . . . 71.3 mtp180 -145.82 159.7 42.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.25 -0.432 . . . . 2.62 109.89 -176.196 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 592' ' ' MET . . . . . . . . . . . . . 63.6 mtt -82.61 147.83 28.35 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 109.437 -0.579 . . . . 0.34 109.437 179.194 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 593' ' ' SER . . . . . . . . . . . . . 33.2 t -87.27 136.97 32.73 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.526 0.679 . . . . 1.37 111.57 -174.53 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 594' ' ' THR . . . . . . . . . . . . . 19.2 p -90.4 -14.19 33.46 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 114.861 -1.063 . . . . 0.38 110.943 177.619 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 595' ' ' ARG . . . . . 0.457 ' HD2' " H2'" ' B' ' 3' ' ' ' C' . 99.1 mtt180 -102.99 -27.96 12.3 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 112.468 0.544 . . . . 2.75 112.468 -170.228 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 596' ' ' TYR . . . . . 0.444 ' HB3' HG21 ' A' ' 521' ' ' VAL . 53.4 m-85 -119.48 141.02 49.54 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.822 0.344 . . . . 0.65 111.785 -177.344 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 597' ' ' LYS . . . . . 0.493 ' N ' ' HD2' ' A' ' 597' ' ' LYS . 0.3 OUTLIER -108.76 -8.23 15.4 Favored 'General case' 0 CA--C 1.518 -0.287 0 CA-C-N 115.8 -0.637 . . . . 2.18 110.532 174.638 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 598' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 -146.43 148.92 32.79 Favored 'General case' 0 N--CA 1.449 -0.521 0 CA-C-O 121.11 0.481 . . . . 0.95 110.498 178.924 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 599' ' ' LEU . . . . . 0.843 HD21 HG13 ' A' ' 521' ' ' VAL . 37.8 mt -105.3 127.88 53.17 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.566 -0.743 . . . . 0.45 111.008 175.592 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 600' ' ' GLN . . . . . 0.415 HE22 ' HD3' ' A' ' 602' ' ' LYS . 12.8 tm0? -111.86 131.13 55.56 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.605 -0.725 . . . . 1.52 110.261 176.594 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 601' ' ' LEU . . . . . 0.589 ' HB3' ' O ' ' A' ' 603' ' ' LYS . 62.5 mt -83.33 101.51 11.36 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.131 -0.486 . . . . 0.46 111.266 -179.348 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 602' ' ' LYS . . . . . 0.512 ' HB2' ' C4 ' ' B' ' 5' ' ' ' U' . 28.3 mmtp -64.76 -26.81 68.51 Favored 'General case' 0 C--N 1.331 -0.223 0 N-CA-C 109.115 -0.698 . . . . 1.73 109.115 168.805 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 603' ' ' LYS . . . . . 0.589 ' O ' ' HB3' ' A' ' 601' ' ' LEU . 75.9 mmtt -113.38 135.06 21.83 Favored Pre-proline 0 C--N 1.325 -0.483 0 CA-C-N 114.859 -1.064 . . . . 1.69 108.7 178.501 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 604' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -58.05 -24.69 67.15 Favored 'Trans proline' 0 C--N 1.345 0.372 0 C-N-CA 123.346 2.697 . . . . 1.21 113.625 -173.754 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 605' ' ' GLY . . . . . . . . . . . . . . . 81.17 162.22 28.25 Favored Glycine 0 N--CA 1.442 -0.908 0 C-N-CA 120.907 -0.663 . . . . 1.23 112.35 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 606' ' ' LYS . . . . . . . . . . . . . 51.5 mttp -113.39 166.58 11.34 Favored 'General case' 0 C--N 1.314 -0.939 0 N-CA-C 108.791 -0.818 . . . . 3.47 108.791 176.412 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 607' ' ' ASN . . . . . . . . . . . . . 23.8 t-20 -57.97 121.96 11.83 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.161 0.505 . . . . 1.33 111.086 177.33 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 608' ' ' VAL . . . . . 0.598 HG11 ' HB ' ' A' ' 547' ' ' VAL . 72.1 t -91.57 -21.07 6.53 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 CA-C-N 115.578 -0.737 . . . . 0.3 110.933 -176.526 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 609' ' ' ALA . . . . . . . . . . . . . . . -60.46 -35.64 76.35 Favored 'General case' 0 C--O 1.237 0.407 0 CA-C-O 121.381 0.61 . . . . 0.44 110.801 176.042 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 610' ' ' ALA . . . . . . . . . . . . . . . -65.02 -27.29 68.71 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.906 -0.588 . . . . 0.4 110.263 176.879 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 611' ' ' ILE . . . . . . . . . . . . . 74.9 mt -71.26 -30.55 40.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 115.819 -0.628 . . . . 0.25 109.534 178.36 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 612' ' ' ILE . . . . . 0.411 ' CG1' HD13 ' A' ' 542' ' ' LEU . 68.2 mt -60.9 -44.34 97.66 Favored 'Isoleucine or valine' 0 C--O 1.231 0.099 0 N-CA-C 109.573 -0.529 . . . . 0.31 109.573 172.526 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 613' ' ' GLN . . . . . . . . . . . . . 92.3 mt-30 -62.84 -32.29 73.47 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.31 0.576 . . . . 2.31 110.128 177.544 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 614' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -65.99 -44.55 84.5 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.162 -0.927 . . . . 1.95 110.23 177.906 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 615' ' ' ILE . . . . . 0.579 HD11 ' HA ' ' A' ' 539' ' ' ASN . 93.6 mt -62.35 -36.15 73.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.087 -0.506 . . . . 0.35 110.738 177.314 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 616' ' ' HIS . . . . . . . . . . . . . 18.6 m80 -64.3 -34.87 79.12 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.337 -0.392 . . . . 1.26 110.605 177.583 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 617' ' ' SER . . . . . . . . . . . . . 27.3 m -75.38 -38.0 60.23 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.917 0.389 . . . . 1.18 110.947 177.712 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 618' ' ' GLN . . . . . . . . . . . . . 45.6 mt-30 -139.58 106.06 5.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.12 -0.491 . . . . 4.68 110.505 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 619' ' ' ARG . . . . . . . . . . . . . 23.5 mtm180 -87.08 142.46 27.91 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 109.973 -0.38 . . . . 7.77 109.973 177.061 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 620' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -95.29 154.88 16.98 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.506 -0.315 . . . . 7.92 111.656 -175.931 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 621' ' ' ARG . . . . . 0.709 ' HA ' ' CZ ' ' A' ' 621' ' ' ARG . 0.1 OUTLIER . . . . . 0 C--O 1.248 0.991 0 CA-C-O 118.199 -0.905 . . . . 11.0 109.77 177.5 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 1' ' ' ADN . . . . . 0.599 HO2' ' H6 ' ' B' ' 2' ' ' ' U' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 2' ' ' ' U' . . . . . 0.599 ' H6 ' HO2' ' B' ' 1' ' ' ADN . . . . . . . . 0 O5'--C5' 1.426 -0.874 0 C3'-C2'-C1' 100.006 -1.66 . 0.0 '__' . 2.99 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 3' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.933 0 O4'-C1'-N19 109.128 0.928 . 0.0 OUTLIER . 1.58 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 4' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.909 0 C3'-C2'-C1' 99.464 -2.262 . 0.0 OUTLIER . 1.15 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 5' ' ' ' U' . . . . . 0.606 " H4'" ' HA ' ' A' ' 553' ' ' MET . . . . . . . . 0 O5'--C5' 1.425 -0.92 0 C3'-C2'-C1' 100.006 -1.66 . 0.305 4b . 1.33 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 6' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.837 0 C4'-C3'-C2' 103.431 0.731 . 0.0 OUTLIER gamma 4.23 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 510' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.597 0 N-CA-C 112.068 -0.413 . . . . 8.88 112.068 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 511' ' ' ALA . . . . . . . . . . . . . . . 58.85 40.6 22.6 Favored 'General case' 0 C--O 1.233 0.208 0 C-N-CA 122.884 0.474 . . . . 6.64 111.624 178.522 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 512' ' ' MET . . . . . . . . . . . . . 27.4 ttt -132.48 -62.05 0.84 Allowed 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.096 -0.502 . . . . 6.33 110.098 178.379 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 513' ' ' ALA . . . . . . . . . . . . . . . -157.71 147.28 20.05 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.248 -0.433 . . . . 4.2 110.974 -179.259 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 514' ' ' GLN . . . . . 0.492 ' HB2' ' HG2' ' A' ' 516' ' ' LYS . 93.4 mt-30 66.42 5.55 3.82 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-N 115.762 -0.654 . . . . 2.88 112.233 172.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 515' ' ' ARG . . . . . . . . . . . . . 97.5 mtt180 61.83 32.03 18.17 Favored 'General case' 0 N--CA 1.465 0.294 0 C-N-CA 122.988 0.515 . . . . 4.0 111.079 179.468 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 516' ' ' LYS . . . . . 0.492 ' HG2' ' HB2' ' A' ' 514' ' ' GLN . 32.5 mmtp -80.65 67.26 6.46 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.532 0.682 . . . . 1.89 111.196 -177.08 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 517' ' ' GLY . . . . . . . . . . . . . . . -133.55 -80.87 0.16 Allowed Glycine 0 N--CA 1.443 -0.852 0 N-CA-C 110.497 -1.041 . . . . 2.04 110.497 174.88 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 518' ' ' ALA . . . . . . . . . . . . . . . -87.47 65.07 8.47 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 109.152 -0.684 . . . . 1.75 109.152 172.134 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 519' ' ' GLY . . . . . . . . . . . . . . . 138.17 111.85 1.05 Allowed Glycine 0 N--CA 1.445 -0.706 0 CA-C-N 115.135 -0.938 . . . . 0.67 110.854 -174.627 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 520' ' ' ARG . . . . . . . . . . . . . 17.2 mtm-85 -133.29 135.07 44.64 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.326 0.584 . . . . 2.22 111.451 -179.725 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 521' ' ' VAL . . . . . 0.712 HG13 HD21 ' A' ' 599' ' ' LEU . 92.3 t -117.38 121.75 68.32 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.697 0 CA-C-N 115.253 -0.885 . . . . 0.32 109.947 165.646 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 522' ' ' VAL . . . . . 0.557 ' HB ' ' O ' ' A' ' 561' ' ' LEU . 25.7 t -120.13 121.15 65.08 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.91 0 N-CA-C 107.856 -1.164 . . . . 0.22 107.856 176.364 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 523' ' ' HIS . . . . . . . . . . . . . 43.0 t-80 -105.84 132.17 52.29 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 121.283 0.563 . . . . 0.44 110.896 -171.008 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 524' ' ' ILE . . . . . 0.468 HG23 HG12 ' A' ' 590' ' ' ILE . 32.6 mt -114.02 141.83 28.78 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.944 0 N-CA-C 108.317 -0.994 . . . . 0.19 108.317 177.731 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 525' ' ' CYS . . . . . 0.603 ' SG ' ' HB3' ' A' ' 589' ' ' LEU . 5.4 p -142.18 167.65 21.61 Favored 'General case' 0 C--N 1.314 -0.95 0 C-N-CA 120.416 -0.514 . . . . 1.17 111.583 -178.117 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 526' ' ' ASN . . . . . 0.461 ' HB2' ' O ' ' A' ' 525' ' ' CYS . 86.8 m-20 86.14 28.65 0.04 OUTLIER 'General case' 0 N--CA 1.468 0.427 0 O-C-N 124.917 1.386 . . . . 0.26 110.189 176.87 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 527' ' ' LEU . . . . . 0.426 ' HB3' ' SG ' ' A' ' 532' ' ' CYS . 81.1 mt -89.88 122.61 67.73 Favored Pre-proline 0 C--N 1.323 -0.557 0 N-CA-C 108.438 -0.949 . . . . 0.25 108.438 176.455 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 528' ' ' PRO . . . . . . . . . . . . . 11.9 Cg_exo -70.56 133.66 24.6 Favored 'Trans proline' 0 N--CA 1.456 -0.696 0 C-N-CA 121.238 1.292 . . . . 0.38 111.305 179.858 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 529' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -65.75 129.5 39.99 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 109.278 -0.638 . . . . 1.6 109.278 177.222 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 530' ' ' GLY . . . . . . . . . . . . . . . 97.17 3.03 59.01 Favored Glycine 0 N--CA 1.441 -0.973 0 C-N-CA 120.249 -0.976 . . . . 0.48 110.743 -172.46 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 531' ' ' SER . . . . . . . . . . . . . 22.7 t -146.31 7.84 1.03 Allowed 'General case' 0 N--CA 1.451 -0.409 0 CA-C-O 121.202 0.525 . . . . 1.08 109.767 -179.686 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 532' ' ' CYS . . . . . 0.495 ' HB2' ' HD2' ' A' ' 554' ' ' LYS . 59.7 m -89.0 84.2 6.6 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 108.773 -0.825 . . . . 0.25 108.773 -179.472 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 533' ' ' THR . . . . . 0.443 ' O ' HG23 ' A' ' 537' ' ' VAL . 40.8 p -95.69 151.61 19.2 Favored 'General case' 0 N--CA 1.445 -0.703 0 C-N-CA 119.888 -0.725 . . . . 0.35 109.177 -177.768 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 534' ' ' GLU . . . . . 0.556 ' HA ' HD11 ' A' ' 552' ' ' LEU . 51.8 mt-10 -66.01 -34.46 78.13 Favored 'General case' 0 C--N 1.319 -0.756 0 N-CA-C 109.019 -0.734 . . . . 1.64 109.019 176.487 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 535' ' ' ASN . . . . . . . . . . . . . 4.9 m-20 -64.82 -48.94 72.59 Favored 'General case' 0 C--O 1.212 -0.874 0 CA-C-N 114.738 -1.119 . . . . 1.82 111.735 -177.088 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 536' ' ' ASP . . . . . . . . . . . . . 25.7 m-20 -69.32 -44.66 71.28 Favored 'General case' 0 N--CA 1.475 0.808 0 CA-C-N 118.602 0.637 . . . . 0.61 111.452 -172.723 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 537' ' ' VAL . . . . . 0.443 HG23 ' O ' ' A' ' 533' ' ' THR . 38.7 t -60.49 -48.05 90.08 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-N 115.178 -0.919 . . . . 0.15 109.914 -178.731 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 538' ' ' ILE . . . . . 0.637 HD11 ' CG ' ' A' ' 550' ' ' TYR . 70.6 mt -68.99 -33.37 58.61 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.744 0 CA-C-N 115.35 -0.841 . . . . 0.23 111.659 176.371 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 539' ' ' ASN . . . . . . . . . . . . . 93.5 m-20 -57.82 -27.74 63.43 Favored 'General case' 0 CA--C 1.511 -0.536 0 N-CA-C 109.932 -0.395 . . . . 0.25 109.932 176.264 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 540' ' ' LEU . . . . . 0.466 HD11 HD12 ' A' ' 588' ' ' LEU . 87.6 mt -75.37 -40.81 57.62 Favored 'General case' 0 N--CA 1.445 -0.722 0 N-CA-C 109.796 -0.446 . . . . 0.27 109.796 175.407 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 541' ' ' GLY . . . . . 0.517 ' HA2' ' SD ' ' A' ' 572' ' ' MET . . . -68.81 -53.51 19.3 Favored Glycine 0 CA--C 1.526 0.73 0 N-CA-C 115.688 1.035 . . . . 0.19 115.688 -179.713 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 542' ' ' LEU . . . . . 0.525 ' HA ' ' O ' ' A' ' 545' ' ' GLY . 40.4 mt -55.28 -45.94 99.77 Favored Pre-proline 0 N--CA 1.472 0.63 0 N-CA-C 114.97 1.47 . . . . 0.2 114.97 -168.039 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 543' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -60.7 -25.53 81.16 Favored 'Trans proline' 0 C--N 1.347 0.46 0 C-N-CA 122.207 1.938 . . . . 0.23 113.366 -178.751 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 544' ' ' PHE . . . . . 0.453 ' HB2' ' HE2' ' A' ' 572' ' ' MET . 99.2 m-85 -98.77 -15.82 19.16 Favored 'General case' 0 C--N 1.331 -0.233 0 O-C-N 122.078 -0.388 . . . . 0.33 111.378 177.54 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 545' ' ' GLY . . . . . 0.525 ' O ' ' HA ' ' A' ' 542' ' ' LEU . . . 177.34 151.67 9.34 Favored Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 120.894 -0.67 . . . . 0.44 112.028 -179.668 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 546' ' ' LYS . . . . . . . . . . . . . 39.7 ttmt -66.33 128.39 35.97 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 120.974 0.416 . . . . 2.07 110.893 -178.308 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 547' ' ' VAL . . . . . 0.614 HG21 HG23 ' A' ' 538' ' ' ILE . 69.6 t -86.8 115.37 27.56 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 CA-C-N 115.87 -0.604 . . . . 0.2 110.341 178.879 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 548' ' ' THR . . . . . . . . . . . . . 25.5 p -93.91 -35.05 12.86 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.948 -0.569 . . . . 0.31 111.492 -179.51 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 549' ' ' ASN . . . . . 0.419 ' HB2' ' CB ' ' A' ' 562' ' ' GLU . 34.6 m-80 -143.83 153.36 42.28 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.843 -0.617 . . . . 1.26 110.109 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 550' ' ' TYR . . . . . 0.637 ' CG ' HD11 ' A' ' 538' ' ' ILE . 6.1 p90 -156.09 151.43 26.76 Favored 'General case' 0 C--N 1.317 -0.809 0 N-CA-C 109.544 -0.539 . . . . 0.31 109.544 178.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 551' ' ' ILE . . . . . 0.487 ' HB ' ' HB2' ' A' ' 560' ' ' PHE . 43.1 mt -142.64 124.32 12.38 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 N-CA-C 108.619 -0.882 . . . . 0.22 108.619 -178.382 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 552' ' ' LEU . . . . . 0.556 HD11 ' HA ' ' A' ' 534' ' ' GLU . 20.2 mt -107.58 120.76 43.11 Favored 'General case' 0 C--N 1.317 -0.841 0 C-N-CA 120.388 -0.525 . . . . 0.43 111.282 -177.055 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 553' ' ' MET . . . . . 0.606 ' HA ' " H4'" ' B' ' 5' ' ' ' U' . 72.1 mtm -111.68 81.65 1.49 Allowed 'General case' 0 C--N 1.324 -0.503 0 C-N-CA 119.831 -0.748 . . . . 1.03 109.224 176.496 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 554' ' ' LYS . . . . . 0.495 ' HD2' ' HB2' ' A' ' 532' ' ' CYS . 1.0 OUTLIER -54.07 -28.71 40.61 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.192 -0.913 . . . . 1.03 111.968 173.841 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 555' ' ' SER . . . . . . . . . . . . . 63.6 p -69.13 -42.97 75.3 Favored 'General case' 0 N--CA 1.451 -0.419 0 CA-C-O 120.842 0.353 . . . . 0.51 111.159 -173.053 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 556' ' ' THR . . . . . 0.451 ' O ' ' HG3' ' A' ' 558' ' ' GLN . 41.6 p -98.37 4.72 48.56 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.359 -0.382 . . . . 0.45 111.815 -177.352 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 557' ' ' ASN . . . . . . . . . . . . . 5.0 m-20 59.45 39.13 22.3 Favored 'General case' 0 N--CA 1.468 0.473 0 CA-C-O 121.534 0.683 . . . . 1.28 110.259 -177.177 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 558' ' ' GLN . . . . . 0.451 ' HG3' ' O ' ' A' ' 556' ' ' THR . 76.4 mt-30 -140.99 164.35 30.51 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.177 -0.92 . . . . 0.84 109.861 -176.063 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 559' ' ' ALA . . . . . 0.446 ' HB1' HD23 ' A' ' 552' ' ' LEU . . . -158.06 165.48 34.94 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 121.2 0.524 . . . . 0.16 111.37 -179.692 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 560' ' ' PHE . . . . . 0.487 ' HB2' ' HB ' ' A' ' 551' ' ' ILE . 90.9 m-85 -120.28 145.96 46.56 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.717 -0.674 . . . . 0.35 110.754 178.057 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 561' ' ' LEU . . . . . 0.557 ' O ' ' HB ' ' A' ' 522' ' ' VAL . 50.7 tp -137.45 118.76 14.63 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.876 -0.602 . . . . 0.2 110.314 -178.659 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 562' ' ' GLU . . . . . 0.419 ' CB ' ' HB2' ' A' ' 549' ' ' ASN . 0.1 OUTLIER -104.07 136.43 43.72 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.15 -0.477 . . . . 2.09 109.834 176.67 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 563' ' ' MET . . . . . 0.641 ' SD ' ' HA ' ' A' ' 569' ' ' ALA . 26.7 mtt -121.27 163.74 18.09 Favored 'General case' 0 C--N 1.316 -0.889 0 CA-C-N 115.61 -0.723 . . . . 0.39 109.644 -171.578 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 564' ' ' ALA . . . . . . . . . . . . . . . -63.05 -43.46 98.57 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 118.398 0.545 . . . . 0.5 111.633 -172.866 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 565' ' ' TYR . . . . . 0.411 ' CB ' ' HG2' ' A' ' 567' ' ' GLU . 99.7 m-85 -131.58 158.75 40.17 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.298 -0.41 . . . . 1.15 110.654 -178.059 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 566' ' ' THR . . . . . . . . . . . . . 8.1 t -66.71 -27.26 67.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.773 -0.648 . . . . 0.57 110.349 -178.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 567' ' ' GLU . . . . . 0.411 ' HG2' ' CB ' ' A' ' 565' ' ' TYR . 12.5 pt-20 -57.13 -32.43 66.34 Favored 'General case' 0 C--O 1.232 0.135 0 CA-C-N 115.783 -0.644 . . . . 0.89 110.965 176.233 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 568' ' ' ALA . . . . . 0.682 ' O ' ' HG3' ' A' ' 572' ' ' MET . . . -72.92 -42.77 63.16 Favored 'General case' 0 N--CA 1.45 -0.447 0 CA-C-N 116.031 -0.531 . . . . 0.26 110.029 -177.438 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 569' ' ' ALA . . . . . 0.641 ' HA ' ' SD ' ' A' ' 563' ' ' MET . . . -62.74 -46.03 89.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.937 -0.574 . . . . 0.24 111.404 -176.231 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 570' ' ' GLN . . . . . . . . . . . . . 18.0 pt20 -69.4 -35.56 75.89 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.198 -0.455 . . . . 1.24 110.679 -178.236 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 571' ' ' ALA . . . . . . . . . . . . . . . -64.95 -43.47 92.58 Favored 'General case' 0 N--CA 1.455 -0.2 0 CA-C-N 116.273 -0.422 . . . . 0.31 110.931 178.716 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 572' ' ' MET . . . . . 0.682 ' HG3' ' O ' ' A' ' 568' ' ' ALA . 29.5 mtt -67.25 -44.03 80.43 Favored 'General case' 0 CA--C 1.516 -0.337 0 CA-C-N 116.385 -0.37 . . . . 0.47 110.481 179.881 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 573' ' ' VAL . . . . . 0.562 HG23 ' O ' ' A' ' 569' ' ' ALA . 82.3 t -58.2 -47.37 87.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 N-CA-C 110.004 -0.369 . . . . 0.34 110.004 179.778 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 574' ' ' GLN . . . . . . . . . . . . . 28.4 mm-40 -61.6 -36.94 82.16 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.534 -0.303 . . . . 2.09 111.208 179.256 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 575' ' ' TYR . . . . . . . . . . . . . 72.2 t80 -68.02 -53.07 28.56 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.303 -0.408 . . . . 0.48 110.756 179.24 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 576' ' ' TYR . . . . . 0.482 ' CD2' HD12 ' A' ' 590' ' ' ILE . 97.1 m-85 -74.81 -14.29 60.68 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 112.629 0.603 . . . . 0.36 112.629 -176.139 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 577' ' ' GLN . . . . . 0.541 ' HG2' ' O ' ' A' ' 573' ' ' VAL . 15.9 mm-40 -65.76 -42.9 90.32 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 109.66 -0.496 . . . . 1.89 109.66 169.895 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 578' ' ' GLU . . . . . . . . . . . . . 24.3 mm-40 -90.89 -39.08 12.5 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.443 -0.799 . . . . 2.14 111.946 -177.961 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 579' ' ' LYS . . . . . . . . . . . . . 64.3 mttp -129.77 86.97 53.7 Favored Pre-proline 0 C--N 1.325 -0.473 0 CA-C-O 120.82 0.343 . . . . 2.46 110.286 178.195 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 580' ' ' PRO . . . . . . . . . . . . . 55.9 Cg_endo -70.78 161.25 46.73 Favored 'Trans proline' 0 C--O 1.235 0.341 0 C-N-CA 122.656 2.237 . . . . 0.37 112.083 179.675 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 581' ' ' ALA . . . . . . . . . . . . . . . -93.14 136.55 33.3 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 109.127 -0.694 . . . . 0.27 109.127 178.835 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 582' ' ' ILE . . . . . . . . . . . . . 55.2 mt -105.84 124.87 61.24 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.787 0 C-N-CA 120.811 -0.355 . . . . 0.51 111.177 -175.523 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 583' ' ' ILE . . . . . . . . . . . . . 28.2 mm -129.77 114.21 29.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 116.069 -0.514 . . . . 0.51 109.869 177.33 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 584' ' ' ASN . . . . . . . . . . . . . 93.6 m-20 55.24 34.73 23.38 Favored 'General case' 0 N--CA 1.468 0.444 0 CA-C-O 121.202 0.525 . . . . 1.1 111.209 -178.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 585' ' ' GLY . . . . . . . . . . . . . . . 86.59 0.56 86.19 Favored Glycine 0 N--CA 1.448 -0.553 0 CA-C-N 115.682 -0.69 . . . . 0.44 113.414 177.948 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 586' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -104.09 124.26 48.73 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 117.199 0.5 . . . . 1.79 110.093 178.55 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 587' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -78.64 123.65 27.34 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.097 0.475 . . . . 1.67 111.038 174.75 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 588' ' ' LEU . . . . . 0.466 HD12 HD11 ' A' ' 540' ' ' LEU . 39.8 mt -80.55 137.7 36.43 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.619 -0.719 . . . . 0.24 110.397 -177.279 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 589' ' ' LEU . . . . . 0.603 ' HB3' ' SG ' ' A' ' 525' ' ' CYS . 28.6 tp -112.83 111.81 22.85 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.955 -0.566 . . . . 0.38 110.531 -177.781 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 590' ' ' ILE . . . . . 0.482 HD12 ' CD2' ' A' ' 576' ' ' TYR . 18.9 mt -103.03 118.7 50.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 N-CA-C 110.15 -0.315 . . . . 0.26 110.15 176.375 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 591' ' ' ARG . . . . . 0.487 ' HE ' HD11 ' A' ' 589' ' ' LEU . 89.6 mtt180 -145.87 165.84 27.71 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 109.852 -0.425 . . . . 2.62 109.852 -179.472 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 592' ' ' MET . . . . . . . . . . . . . 57.4 mtt -81.0 135.93 35.93 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 109.892 -0.41 . . . . 0.34 109.892 -179.046 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 593' ' ' SER . . . . . . . . . . . . . 47.6 t -73.32 135.94 44.43 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.38 0.609 . . . . 1.37 111.171 -179.283 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 594' ' ' THR . . . . . . . . . . . . . 18.7 p -91.11 -14.26 31.53 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 114.512 -1.222 . . . . 0.38 111.518 178.004 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 595' ' ' ARG . . . . . . . . . . . . . 62.5 mtp180 -100.77 -29.9 12.01 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 112.58 0.585 . . . . 2.75 112.58 -169.167 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 596' ' ' TYR . . . . . . . . . . . . . 95.9 m-85 -128.0 147.34 50.5 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 120.908 0.385 . . . . 0.65 111.744 -177.149 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 597' ' ' LYS . . . . . 0.45 ' N ' ' HD2' ' A' ' 597' ' ' LYS . 9.8 mptt -109.65 -10.06 14.84 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.744 -0.662 . . . . 2.18 112.671 179.84 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 598' ' ' GLU . . . . . . . . . . . . . 45.9 tt0 -144.01 149.6 36.96 Favored 'General case' 0 C--N 1.329 -0.295 0 C-N-CA 120.253 -0.579 . . . . 0.95 111.156 178.37 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 599' ' ' LEU . . . . . 0.712 HD21 HG13 ' A' ' 521' ' ' VAL . 64.0 mt -110.41 126.85 54.73 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.302 -0.863 . . . . 0.45 110.934 177.093 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 600' ' ' GLN . . . . . . . . . . . . . 46.0 tt0 -113.8 137.14 52.06 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.693 -0.685 . . . . 1.52 110.222 177.091 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 601' ' ' LEU . . . . . . . . . . . . . 70.3 mt -90.24 98.14 11.6 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.201 0.524 . . . . 0.46 111.123 177.685 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 602' ' ' LYS . . . . . . . . . . . . . 93.7 mttt -81.05 -16.31 53.61 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.585 0.707 . . . . 1.73 109.198 173.794 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 603' ' ' LYS . . . . . . . . . . . . . 75.5 mmtt -121.42 131.67 24.4 Favored Pre-proline 0 C--N 1.324 -0.519 0 CA-C-N 115.009 -0.996 . . . . 1.69 109.751 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 604' ' ' PRO . . . . . . . . . . . . . 37.2 Cg_endo -66.32 151.23 83.83 Favored 'Trans proline' 0 N--CA 1.462 -0.353 0 C-N-CA 122.452 2.102 . . . . 1.21 111.712 177.035 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 605' ' ' GLY . . . . . . . . . . . . . . . -131.06 -176.68 14.51 Favored Glycine 0 N--CA 1.44 -1.044 0 C-N-CA 120.975 -0.631 . . . . 1.23 111.747 -176.217 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 606' ' ' LYS . . . . . . . . . . . . . 49.3 mtmt -91.64 158.46 16.4 Favored 'General case' 0 C--N 1.309 -1.167 0 N-CA-C 109.234 -0.654 . . . . 3.47 109.234 177.774 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 607' ' ' ASN . . . . . . . . . . . . . 4.1 m-20 -60.41 121.32 11.77 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.173 0.511 . . . . 1.33 110.608 174.186 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 608' ' ' VAL . . . . . 0.583 HG11 ' HB ' ' A' ' 547' ' ' VAL . 69.6 t -74.22 -20.54 17.44 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.796 0 CA-C-N 115.339 -0.846 . . . . 0.3 110.878 -177.31 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 609' ' ' ALA . . . . . . . . . . . . . . . -60.79 -38.04 83.97 Favored 'General case' 0 C--O 1.242 0.693 0 CA-C-O 121.301 0.572 . . . . 0.44 110.946 175.62 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 610' ' ' ALA . . . . . . . . . . . . . . . -63.28 -29.07 70.46 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.884 -0.598 . . . . 0.4 110.383 177.173 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 611' ' ' ILE . . . . . 0.441 ' CD1' HD12 ' A' ' 538' ' ' ILE . 73.7 mt -71.38 -30.1 38.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 115.902 -0.59 . . . . 0.25 109.781 179.787 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 612' ' ' ILE . . . . . 0.414 HG12 HD13 ' A' ' 542' ' ' LEU . 62.1 mt -61.28 -43.48 96.61 Favored 'Isoleucine or valine' 0 C--O 1.234 0.285 0 N-CA-C 109.799 -0.445 . . . . 0.31 109.799 172.789 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 613' ' ' GLN . . . . . . . . . . . . . 82.2 mt-30 -62.79 -34.08 76.52 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.516 0.674 . . . . 2.31 109.593 177.252 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 614' ' ' ASP . . . . . 0.406 ' HB3' ' O ' ' A' ' 611' ' ' ILE . 15.8 t70 -65.42 -45.73 82.76 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 114.646 -1.161 . . . . 1.95 110.946 -178.253 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 615' ' ' ILE . . . . . 0.475 ' CD1' ' HB2' ' A' ' 542' ' ' LEU . 85.4 mt -59.49 -47.33 91.21 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.346 -0.388 . . . . 0.35 110.684 179.359 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 616' ' ' HIS . . . . . . . . . . . . . 69.5 m80 -65.39 -31.9 73.24 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.804 -0.635 . . . . 1.26 111.352 179.386 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 617' ' ' SER . . . . . . . . . . . . . 48.9 m -71.04 -36.5 72.37 Favored 'General case' 0 N--CA 1.452 -0.346 0 CA-C-N 116.685 -0.234 . . . . 1.18 110.419 177.688 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 618' ' ' GLN . . . . . . . . . . . . . 78.6 mt-30 72.55 -43.27 0.56 Allowed 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 123.695 0.798 . . . . 4.68 111.926 177.313 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 619' ' ' ARG . . . . . . . . . . . . . 27.3 mmm180 -81.99 126.92 32.53 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 116.238 -0.437 . . . . 7.77 110.455 179.29 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 620' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -70.27 106.98 3.53 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.161 0.505 . . . . 7.92 110.044 175.859 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 621' ' ' ARG . . . . . . . . . . . . . 21.5 mmm180 . . . . . 0 C--O 1.249 1.057 0 CA-C-O 118.362 -0.827 . . . . 11.0 110.309 -177.561 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 1' ' ' ADN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 2' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.934 0 C3'-C2'-C1' 100.158 -1.491 . 0.0 '__' . 2.99 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 3' ' ' ' C' . . . . . 0.538 " H2'" ' HD2' ' A' ' 595' ' ' ARG . . . . . . . . 0 O5'--C5' 1.426 -0.895 0 O4'-C1'-N19 109.626 1.426 . 0.0 OUTLIER . 1.58 . . . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 4' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.947 0 C3'-C2'-C1' 99.739 -1.956 . 0.0 OUTLIER . 1.15 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 5' ' ' ' U' . . . . . 0.524 " O5'" ' H2 ' ' B' ' 6' ' ' ' A' . . . . . . . . 0 O5'--C5' 1.425 -0.953 0 C4'-C3'-C2' 104.126 1.426 . 0.0 OUTLIER alpha 1.33 . . . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 6' ' ' ' A' . . . . . 0.524 ' H2 ' " O5'" ' B' ' 5' ' ' ' U' . . . . . . . . 0 O5'--C5' 1.426 -0.886 0 C3'-C2'-C1' 100.493 -1.119 . 0.0 OUTLIER . 4.23 . . . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 510' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.694 0 N-CA-C 111.754 -0.539 . . . . 8.88 111.754 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 511' ' ' ALA . . . . . . . . . . . . . . . 73.21 -47.55 0.67 Allowed 'General case' 0 N--CA 1.47 0.552 0 C-N-CA 123.627 0.771 . . . . 6.64 112.827 175.937 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 512' ' ' MET . . . . . . . . . . . . . 16.1 tpt -61.43 -60.33 3.88 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.158 0.504 . . . . 6.33 110.515 -179.267 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 513' ' ' ALA . . . . . . . . . . . . . . . -104.31 113.69 27.42 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.691 -0.686 . . . . 4.2 109.329 175.635 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 514' ' ' GLN . . . . . 0.462 ' HA ' ' OE1' ' A' ' 514' ' ' GLN . 13.5 mm-40 -68.08 132.45 47.25 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 120.93 0.395 . . . . 2.88 110.672 -176.698 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 515' ' ' ARG . . . . . . . . . . . . . 79.3 mtp180 -59.92 130.53 47.22 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.526 -0.761 . . . . 4.0 111.343 -177.415 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 516' ' ' LYS . . . . . . . . . . . . . 75.0 mmtt -129.02 42.49 3.31 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.623 -0.717 . . . . 1.89 109.681 178.131 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 517' ' ' GLY . . . . . . . . . . . . . . . -114.7 -75.7 0.65 Allowed Glycine 0 N--CA 1.448 -0.506 0 C-N-CA 120.773 -0.727 . . . . 2.04 111.798 -179.412 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 518' ' ' ALA . . . . . . . . . . . . . . . -92.23 60.0 3.61 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.444 0.64 . . . . 1.75 109.811 177.851 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 519' ' ' GLY . . . . . . . . . . . . . . . 134.13 115.09 1.53 Allowed Glycine 0 N--CA 1.446 -0.697 0 N-CA-C 110.836 -0.906 . . . . 0.67 110.836 -173.756 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 520' ' ' ARG . . . . . 0.635 ' NH1' ' HA ' ' A' ' 566' ' ' THR . 19.7 mtm105 -134.87 136.92 42.78 Favored 'General case' 0 C--N 1.323 -0.561 0 C-N-CA 120.178 -0.609 . . . . 2.22 111.391 179.439 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 521' ' ' VAL . . . . . 0.807 HG13 HD21 ' A' ' 599' ' ' LEU . 72.3 t -116.08 123.93 71.84 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.837 0 CA-C-N 115.057 -0.974 . . . . 0.32 110.253 169.45 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 522' ' ' VAL . . . . . 0.453 ' HB ' ' O ' ' A' ' 561' ' ' LEU . 35.0 t -120.24 121.17 65.02 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.692 0 N-CA-C 107.803 -1.184 . . . . 0.22 107.803 174.526 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 523' ' ' HIS . . . . . . . . . . . . . 50.6 t-80 -107.89 133.49 52.18 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-O 121.085 0.469 . . . . 0.44 110.744 -171.663 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 524' ' ' ILE . . . . . 0.466 HD11 HD22 ' A' ' 561' ' ' LEU . 30.4 mt -111.44 140.46 30.75 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.914 0 N-CA-C 108.492 -0.929 . . . . 0.19 108.492 177.073 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 525' ' ' CYS . . . . . 0.474 ' O ' ' HB2' ' A' ' 526' ' ' ASN . 2.3 p -140.95 167.35 22.4 Favored 'General case' 0 C--N 1.312 -1.023 0 C-N-CA 120.453 -0.499 . . . . 1.17 111.323 -175.915 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 526' ' ' ASN . . . . . 0.474 ' HB2' ' O ' ' A' ' 525' ' ' CYS . 91.4 m-20 85.66 29.58 0.05 OUTLIER 'General case' 0 N--CA 1.467 0.384 0 O-C-N 124.922 1.389 . . . . 0.26 110.116 178.28 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 527' ' ' LEU . . . . . 0.48 ' O ' ' HB3' ' A' ' 557' ' ' ASN . 79.7 mt -91.19 122.81 65.84 Favored Pre-proline 0 C--N 1.325 -0.5 0 N-CA-C 108.706 -0.85 . . . . 0.25 108.706 177.056 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 528' ' ' PRO . . . . . . . . . . . . . 12.5 Cg_exo -68.69 135.24 32.56 Favored 'Trans proline' 0 N--CA 1.46 -0.483 0 C-N-CA 121.622 1.548 . . . . 0.38 111.623 -179.161 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 529' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -64.65 131.93 48.31 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 109.691 -0.485 . . . . 1.6 109.691 176.351 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 530' ' ' GLY . . . . . . . . . . . . . . . 89.69 2.76 75.26 Favored Glycine 0 N--CA 1.446 -0.639 0 N-CA-C 110.553 -1.019 . . . . 0.48 110.553 -173.662 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 531' ' ' SER . . . . . . . . . . . . . 20.3 m -141.27 7.06 1.96 Allowed 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.263 0.554 . . . . 1.08 109.699 -178.129 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 532' ' ' CYS . . . . . 0.4 ' HB2' ' HD2' ' A' ' 554' ' ' LYS . 70.5 m -89.07 89.45 7.97 Favored 'General case' 0 CA--C 1.515 -0.39 0 N-CA-C 108.913 -0.773 . . . . 0.25 108.913 -179.384 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 533' ' ' THR . . . . . 0.535 ' O ' HG23 ' A' ' 537' ' ' VAL . 82.0 p -102.57 149.39 24.46 Favored 'General case' 0 C--N 1.317 -0.816 0 N-CA-C 109.281 -0.636 . . . . 0.35 109.281 -179.212 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 534' ' ' GLU . . . . . 0.505 ' N ' HD11 ' A' ' 552' ' ' LEU . 39.2 mt-10 -68.56 -35.0 76.81 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 121.282 0.563 . . . . 1.64 110.028 -179.638 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 535' ' ' ASN . . . . . 0.42 ' OD1' HG23 ' A' ' 611' ' ' ILE . 66.0 t30 -64.02 -48.74 75.13 Favored 'General case' 0 C--O 1.216 -0.683 0 CA-C-N 115.2 -0.909 . . . . 1.82 111.006 -174.485 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 536' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -69.22 -40.57 77.9 Favored 'General case' 0 N--CA 1.469 0.479 0 CA-C-O 121.112 0.482 . . . . 0.61 111.275 -172.576 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 537' ' ' VAL . . . . . 0.535 HG23 ' O ' ' A' ' 533' ' ' THR . 35.9 t -61.32 -48.03 90.78 Favored 'Isoleucine or valine' 0 C--O 1.242 0.679 0 CA-C-N 115.154 -0.93 . . . . 0.15 109.836 179.791 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 538' ' ' ILE . . . . . 0.671 HD11 ' CG ' ' A' ' 550' ' ' TYR . 64.0 mt -68.16 -33.94 63.7 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.716 0 CA-C-N 115.273 -0.876 . . . . 0.23 111.367 176.313 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 539' ' ' ASN . . . . . 0.536 ' HA ' HD11 ' A' ' 615' ' ' ILE . 94.3 m-20 -58.53 -26.05 63.1 Favored 'General case' 0 CA--C 1.515 -0.376 0 CA-C-O 120.637 0.256 . . . . 0.25 110.375 176.571 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 540' ' ' LEU . . . . . 0.534 HD11 HD12 ' A' ' 588' ' ' LEU . 85.4 mt -74.83 -42.5 57.88 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 109.59 -0.522 . . . . 0.27 109.59 173.237 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 541' ' ' GLY . . . . . 0.465 ' CA ' HD21 ' A' ' 561' ' ' LEU . . . -66.53 -52.76 32.52 Favored Glycine 0 CA--C 1.525 0.663 0 N-CA-C 115.817 1.087 . . . . 0.19 115.817 -178.579 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 542' ' ' LEU . . . . . 0.513 ' HA ' ' O ' ' A' ' 545' ' ' GLY . 41.1 mt -57.67 -48.29 97.47 Favored Pre-proline 0 C--N 1.323 -0.577 0 N-CA-C 114.969 1.47 . . . . 0.2 114.969 -167.901 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 543' ' ' PRO . . . . . 0.434 ' HG3' HG21 ' A' ' 615' ' ' ILE . 51.2 Cg_exo -59.41 -24.08 73.13 Favored 'Trans proline' 0 C--N 1.346 0.405 0 C-N-CA 122.266 1.977 . . . . 0.23 113.587 -176.449 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 544' ' ' PHE . . . . . 0.483 ' HB2' ' HE2' ' A' ' 572' ' ' MET . 95.3 m-85 -100.51 -15.81 17.74 Favored 'General case' 0 C--N 1.331 -0.218 0 C-N-CA 120.845 -0.342 . . . . 0.33 111.265 177.169 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 545' ' ' GLY . . . . . 0.513 ' O ' ' HA ' ' A' ' 542' ' ' LEU . . . 177.31 156.06 15.19 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.709 -0.758 . . . . 0.44 112.318 179.202 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 546' ' ' LYS . . . . . . . . . . . . . 28.1 tptp -66.3 128.13 34.96 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.471 0.653 . . . . 2.07 111.395 -177.24 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 547' ' ' VAL . . . . . 0.576 ' HB ' HG11 ' A' ' 608' ' ' VAL . 70.3 t -89.13 116.23 30.28 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-N 114.965 -1.016 . . . . 0.2 109.925 177.115 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 548' ' ' THR . . . . . . . . . . . . . 22.7 p -94.87 -36.03 11.8 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.037 -0.528 . . . . 0.31 111.724 179.741 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 549' ' ' ASN . . . . . . . . . . . . . 92.1 m-20 -143.29 160.96 39.53 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.217 -0.447 . . . . 1.26 110.558 179.462 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 550' ' ' TYR . . . . . 0.671 ' CG ' HD11 ' A' ' 538' ' ' ILE . 3.3 p90 -161.41 151.72 17.52 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.502 -0.772 . . . . 0.31 109.582 -179.269 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 551' ' ' ILE . . . . . 0.5 ' HB ' ' HB2' ' A' ' 560' ' ' PHE . 50.0 mt -144.28 127.46 11.9 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 N-CA-C 108.289 -1.004 . . . . 0.22 108.289 -176.882 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 552' ' ' LEU . . . . . 0.505 HD11 ' N ' ' A' ' 534' ' ' GLU . 26.7 mt -106.73 119.71 40.06 Favored 'General case' 0 C--N 1.313 -0.998 0 C-N-CA 119.926 -0.71 . . . . 0.43 110.394 179.852 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 553' ' ' MET . . . . . 0.495 ' HA ' " H4'" ' B' ' 5' ' ' ' U' . 30.7 mtp -101.95 80.44 2.0 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 108.253 -1.017 . . . . 1.03 108.253 -178.7 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 554' ' ' LYS . . . . . 0.487 ' HB2' " C5'" ' B' ' 6' ' ' ' A' . 26.4 mmtp -53.93 -29.56 42.87 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 114.632 -1.167 . . . . 1.03 113.3 178.318 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 555' ' ' SER . . . . . 0.403 ' HB3' ' C4 ' ' B' ' 6' ' ' ' A' . 63.4 p -70.02 -45.08 67.96 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 120.693 0.282 . . . . 0.51 111.758 -174.05 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 556' ' ' THR . . . . . . . . . . . . . 42.6 p -100.27 7.95 44.07 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 112.711 0.634 . . . . 0.45 112.711 -174.753 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 557' ' ' ASN . . . . . 0.48 ' HB3' ' O ' ' A' ' 527' ' ' LEU . 34.6 m-80 59.92 39.59 20.07 Favored 'General case' 0 N--CA 1.468 0.46 0 CA-C-O 121.523 0.678 . . . . 1.28 109.936 -177.575 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 558' ' ' GLN . . . . . . . . . . . . . 76.6 mt-30 -135.83 168.29 19.58 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.344 -0.844 . . . . 0.84 109.908 -175.332 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 559' ' ' ALA . . . . . . . . . . . . . . . -158.66 165.63 33.96 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.19 0.519 . . . . 0.16 111.709 179.187 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 560' ' ' PHE . . . . . 0.5 ' HB2' ' HB ' ' A' ' 551' ' ' ILE . 88.1 m-85 -119.93 144.33 47.5 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.975 -0.557 . . . . 0.35 110.707 176.548 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 561' ' ' LEU . . . . . 0.466 HD22 HD11 ' A' ' 524' ' ' ILE . 56.1 tp -132.62 118.8 19.62 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.709 -0.678 . . . . 0.2 109.955 179.415 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 562' ' ' GLU . . . . . 0.483 ' HB2' HD12 ' A' ' 599' ' ' LEU . 26.5 tt0 -101.0 124.32 46.54 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.428 0.632 . . . . 2.09 110.391 179.353 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 563' ' ' MET . . . . . 0.58 ' HB2' ' NH2' ' A' ' 520' ' ' ARG . 20.9 mtt -110.73 154.62 23.64 Favored 'General case' 0 C--N 1.317 -0.83 0 CA-C-N 115.074 -0.966 . . . . 0.39 108.762 -177.855 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 564' ' ' ALA . . . . . . . . . . . . . . . -73.21 -25.43 60.76 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 123.217 0.323 . . . . 0.5 111.768 -170.708 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 565' ' ' TYR . . . . . . . . . . . . . 68.2 m-85 -139.23 149.34 44.23 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.017 0.437 . . . . 1.15 110.437 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 566' ' ' THR . . . . . 0.635 ' HA ' ' NH1' ' A' ' 520' ' ' ARG . 2.2 t -67.88 -26.35 65.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.632 -0.713 . . . . 0.57 110.497 -177.672 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 567' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -56.0 -32.64 64.13 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 115.75 -0.659 . . . . 0.89 111.128 177.518 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 568' ' ' ALA . . . . . 0.685 ' O ' ' HG3' ' A' ' 572' ' ' MET . . . -73.26 -40.81 64.31 Favored 'General case' 0 N--CA 1.45 -0.436 0 CA-C-N 116.294 -0.412 . . . . 0.26 110.798 -176.202 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 569' ' ' ALA . . . . . 0.548 ' CB ' HH12 ' A' ' 520' ' ' ARG . . . -65.55 -44.95 85.22 Favored 'General case' 0 CA--C 1.516 -0.36 0 CA-C-N 116.319 -0.401 . . . . 0.24 111.731 -174.43 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 570' ' ' GLN . . . . . . . . . . . . . 3.7 pt20 -66.97 -35.4 79.88 Favored 'General case' 0 C--N 1.326 -0.421 0 C-N-CA 120.834 -0.346 . . . . 1.24 110.165 -179.176 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 571' ' ' ALA . . . . . . . . . . . . . . . -64.16 -44.05 93.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.118 -0.492 . . . . 0.31 110.758 176.562 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 572' ' ' MET . . . . . 0.685 ' HG3' ' O ' ' A' ' 568' ' ' ALA . 31.7 mtt -66.38 -45.8 78.85 Favored 'General case' 0 CA--C 1.521 -0.155 0 CA-C-N 116.362 -0.381 . . . . 0.47 110.806 179.877 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 573' ' ' VAL . . . . . 0.505 HG23 ' O ' ' A' ' 569' ' ' ALA . 89.8 t -58.54 -46.69 89.79 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.182 0 N-CA-C 110.301 -0.259 . . . . 0.34 110.301 -178.635 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 574' ' ' GLN . . . . . . . . . . . . . 99.3 mt-30 -60.93 -37.98 84.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.031 0.443 . . . . 2.09 110.751 178.584 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 575' ' ' TYR . . . . . . . . . . . . . 92.7 t80 -69.03 -52.86 24.22 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.757 -0.656 . . . . 0.48 110.851 -178.78 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 576' ' ' TYR . . . . . 0.519 ' CD2' HD12 ' A' ' 590' ' ' ILE . 84.1 m-85 -75.2 -13.48 60.46 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 113.024 0.75 . . . . 0.36 113.024 -175.527 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 577' ' ' GLN . . . . . 0.452 ' HA ' ' OE1' ' A' ' 577' ' ' GLN . 13.9 mm-40 -74.07 -41.96 60.92 Favored 'General case' 0 C--N 1.321 -0.634 0 C-N-CA 120.288 -0.565 . . . . 1.89 109.836 171.601 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 578' ' ' GLU . . . . . . . . . . . . . 40.3 mm-40 -84.53 -39.3 18.97 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.325 -0.398 . . . . 2.14 110.731 178.879 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 579' ' ' LYS . . . . . 0.494 ' O ' ' HA ' ' A' ' 576' ' ' TYR . 54.6 mtpt -130.85 91.28 37.35 Favored Pre-proline 0 C--O 1.234 0.289 0 C-N-CA 122.732 0.413 . . . . 2.46 110.324 176.697 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 580' ' ' PRO . . . . . 0.447 ' HB2' ' HB3' ' A' ' 587' ' ' LYS . 57.7 Cg_endo -71.38 162.04 43.66 Favored 'Trans proline' 0 C--O 1.237 0.441 0 C-N-CA 122.667 2.245 . . . . 0.37 112.383 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 581' ' ' ALA . . . . . 0.417 ' O ' ' HG ' ' A' ' 588' ' ' LEU . . . -92.25 135.11 34.27 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 109.567 -0.531 . . . . 0.27 109.567 178.842 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 582' ' ' ILE . . . . . . . . . . . . . 37.9 mt -98.28 124.04 51.15 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 CA-C-O 120.72 0.295 . . . . 0.51 111.137 -175.63 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 583' ' ' ILE . . . . . 0.401 ' CG1' HD11 ' A' ' 588' ' ' LEU . 30.4 mm -130.65 112.54 22.81 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 N-CA-C 109.802 -0.444 . . . . 0.51 109.802 174.158 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 584' ' ' ASN . . . . . 0.524 HD22 ' N ' ' A' ' 584' ' ' ASN . 0.8 OUTLIER 57.79 33.53 23.33 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-N 115.867 -0.606 . . . . 1.1 110.731 177.585 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 585' ' ' GLY . . . . . . . . . . . . . . . 86.15 5.5 82.91 Favored Glycine 0 N--CA 1.444 -0.773 0 CA-C-N 115.415 -0.812 . . . . 0.44 113.82 177.374 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 586' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -113.73 127.75 56.15 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 117.6 0.7 . . . . 1.79 111.093 176.853 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 587' ' ' LYS . . . . . 0.447 ' HB3' ' HB2' ' A' ' 580' ' ' PRO . 40.7 mmtm -73.56 126.96 31.45 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.965 -0.561 . . . . 1.67 110.911 176.627 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 588' ' ' LEU . . . . . 0.534 HD12 HD11 ' A' ' 540' ' ' LEU . 40.0 mt -82.89 139.86 33.19 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.896 0.379 . . . . 0.24 111.173 -179.153 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 589' ' ' LEU . . . . . . . . . . . . . 65.0 tp -113.62 114.19 26.1 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.711 -0.677 . . . . 0.38 110.853 -179.828 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 590' ' ' ILE . . . . . 0.519 HD12 ' CD2' ' A' ' 576' ' ' TYR . 24.9 mt -100.19 128.6 51.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 N-CA-C 110.231 -0.285 . . . . 0.26 110.231 175.886 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 591' ' ' ARG . . . . . . . . . . . . . 80.5 mtp180 -146.36 159.12 43.79 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.404 -0.362 . . . . 2.62 110.629 -176.898 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 592' ' ' MET . . . . . . . . . . . . . 49.7 mtt -83.24 129.28 35.0 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 109.912 -0.403 . . . . 0.34 109.912 176.025 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 593' ' ' SER . . . . . . . . . . . . . 46.3 t -65.24 129.81 41.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.359 0.6 . . . . 1.37 111.651 -177.048 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 594' ' ' THR . . . . . . . . . . . . . 17.0 p -90.09 -11.74 40.44 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-N 114.711 -1.131 . . . . 0.38 111.712 178.738 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 595' ' ' ARG . . . . . 0.538 ' HD2' " H2'" ' B' ' 3' ' ' ' C' . 99.4 mtt180 -104.4 -30.81 9.84 Favored 'General case' 0 CA--C 1.531 0.241 0 N-CA-C 113.172 0.805 . . . . 2.75 113.172 -173.915 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 596' ' ' TYR . . . . . . . . . . . . . 65.1 m-85 -120.27 146.43 46.09 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 112.433 0.531 . . . . 0.65 112.433 -174.875 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 597' ' ' LYS . . . . . 0.523 ' N ' ' HD2' ' A' ' 597' ' ' LYS . 0.1 OUTLIER -109.82 -8.31 14.92 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.352 -0.84 . . . . 2.18 111.979 -178.721 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 598' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 -144.07 151.46 39.67 Favored 'General case' 0 C--N 1.328 -0.351 0 C-N-CA 120.599 -0.44 . . . . 0.95 111.556 -177.515 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 599' ' ' LEU . . . . . 0.807 HD21 HG13 ' A' ' 521' ' ' VAL . 72.1 mt -114.43 122.59 47.1 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.597 -0.728 . . . . 0.45 110.893 175.689 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 600' ' ' GLN . . . . . . . . . . . . . 29.3 tt0 -114.27 123.81 50.46 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.761 -0.654 . . . . 1.52 110.394 178.032 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 601' ' ' LEU . . . . . . . . . . . . . 40.2 mt -78.2 93.63 4.62 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.917 0.389 . . . . 0.46 111.084 179.763 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 602' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -70.74 -23.46 62.43 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.389 0.614 . . . . 1.73 109.885 174.787 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 603' ' ' LYS . . . . . . . . . . . . . 35.2 mmtp -115.72 142.18 28.58 Favored Pre-proline 0 C--N 1.323 -0.569 0 CA-C-N 115.313 -0.858 . . . . 1.69 109.363 177.479 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 604' ' ' PRO . . . . . . . . . . . . . 44.0 Cg_endo -68.68 156.33 65.88 Favored 'Trans proline' 0 N--CA 1.464 -0.219 0 C-N-CA 122.412 2.075 . . . . 1.21 111.404 177.531 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 605' ' ' GLY . . . . . . . . . . . . . . . -131.71 147.92 18.82 Favored Glycine 0 N--CA 1.438 -1.227 0 C-N-CA 120.518 -0.849 . . . . 1.23 112.446 -176.065 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 606' ' ' LYS . . . . . . . . . . . . . 47.2 mtmt -68.98 159.26 33.11 Favored 'General case' 0 C--N 1.319 -0.726 0 N-CA-C 109.695 -0.483 . . . . 3.47 109.695 175.057 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 607' ' ' ASN . . . . . 0.418 HD21 ' HB3' ' A' ' 609' ' ' ALA . 37.6 t30 -60.41 121.98 13.43 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.893 0.378 . . . . 1.33 111.016 178.101 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 608' ' ' VAL . . . . . 0.576 HG11 ' HB ' ' A' ' 547' ' ' VAL . 96.5 t -77.47 -21.74 14.15 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-N 115.77 -0.65 . . . . 0.3 111.158 -176.295 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 609' ' ' ALA . . . . . 0.418 ' HB3' HD21 ' A' ' 607' ' ' ASN . . . -61.41 -32.54 72.48 Favored 'General case' 0 C--O 1.236 0.392 0 CA-C-O 121.202 0.525 . . . . 0.44 110.859 175.809 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 610' ' ' ALA . . . . . . . . . . . . . . . -64.83 -29.71 70.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.835 -0.62 . . . . 0.4 110.188 176.067 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 611' ' ' ILE . . . . . 0.42 HG23 ' OD1' ' A' ' 535' ' ' ASN . 76.7 mt -71.5 -30.65 39.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 115.371 -0.831 . . . . 0.25 110.018 179.044 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 612' ' ' ILE . . . . . . . . . . . . . 71.2 mt -60.98 -43.61 96.39 Favored 'Isoleucine or valine' 0 C--O 1.235 0.317 0 CA-C-O 121.168 0.508 . . . . 0.31 109.952 172.743 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 613' ' ' GLN . . . . . . . . . . . . . 11.6 mm100 -63.46 -30.3 71.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.491 -0.777 . . . . 2.31 109.872 177.159 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 614' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -71.38 -46.14 61.08 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 114.868 -1.06 . . . . 1.95 110.718 -178.251 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 615' ' ' ILE . . . . . 0.536 HD11 ' HA ' ' A' ' 539' ' ' ASN . 88.0 mt -61.01 -47.18 94.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.061 -0.518 . . . . 0.35 110.74 179.365 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 616' ' ' HIS . . . . . . . . . . . . . 40.9 m170 -64.56 -38.05 89.66 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.45 -0.795 . . . . 1.26 111.779 -177.595 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 617' ' ' SER . . . . . 0.431 ' HB2' ' CB ' ' A' ' 620' ' ' GLU . 20.9 p -75.25 -34.79 61.43 Favored 'General case' 0 C--N 1.325 -0.47 0 C-N-CA 120.936 -0.306 . . . . 1.18 111.24 -178.803 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 618' ' ' GLN . . . . . . . . . . . . . 77.4 mt-30 66.87 -83.33 0.03 OUTLIER 'General case' 0 N--CA 1.468 0.431 0 C-N-CA 123.353 0.661 . . . . 4.68 112.222 174.929 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 619' ' ' ARG . . . . . . . . . . . . . 96.4 mtt180 -92.87 34.33 1.1 Allowed 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.256 0.55 . . . . 7.77 110.825 -173.856 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 620' ' ' GLU . . . . . 0.431 ' CB ' ' HB2' ' A' ' 617' ' ' SER . 29.0 tt0 -114.85 63.11 0.67 Allowed 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 108.665 -0.865 . . . . 7.92 108.665 178.487 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 621' ' ' ARG . . . . . . . . . . . . . 9.3 tpp180 . . . . . 0 C--O 1.246 0.872 0 CA-C-N 115.004 -0.998 . . . . 11.0 110.858 -173.389 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 1' ' ' ADN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 2' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.906 0 N19-C1'-C2' 114.662 0.789 . 0.0 '__' . 2.99 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 3' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.926 0 O4'-C1'-N19 109.172 0.972 . 0.0 OUTLIER . 1.58 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 4' ' ' ' U' . . . . . 0.466 ' O4 ' ' HA ' ' A' ' 599' ' ' LEU . . . . . . . . 0 O5'--C5' 1.428 -0.772 0 C3'-C2'-C1' 100.667 -0.925 . 0.0 OUTLIER gamma 1.15 . . . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 5' ' ' ' U' . . . . . 0.771 " H4'" ' HA ' ' A' ' 553' ' ' MET . . . . . . . . 0 O5'--C5' 1.424 -0.997 0 C4'-C3'-C2' 104.243 1.543 . 0.0 OUTLIER gamma 1.33 . . . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 6' ' ' ' A' . . . . . 0.567 " H5'" " O2'" ' B' ' 5' ' ' ' U' . . . . . . . . 0 O5'--C5' 1.425 -0.912 0 C3'-C2'-C1' 99.923 -1.753 . 0.031 2[ . 4.23 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 510' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.709 0 N-CA-C 111.773 -0.531 . . . . 8.88 111.773 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 511' ' ' ALA . . . . . . . . . . . . . . . -93.75 110.5 22.13 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.721 0.296 . . . . 6.64 110.903 -179.106 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 512' ' ' MET . . . . . . . . . . . . . 40.0 tpp -78.47 -41.98 31.08 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.379 0.609 . . . . 6.33 109.59 176.185 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 513' ' ' ALA . . . . . . . . . . . . . . . -100.17 169.2 9.32 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.439 -0.8 . . . . 4.2 109.287 173.922 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 514' ' ' GLN . . . . . . . . . . . . . 15.2 mm100 63.35 102.14 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.31 0 CA-C-O 121.554 0.692 . . . . 2.88 110.799 -176.69 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 515' ' ' ARG . . . . . . . . . . . . . 90.0 mtt180 -88.96 -63.86 1.23 Allowed 'General case' 0 C--N 1.316 -0.882 0 CA-C-N 115.473 -0.785 . . . . 4.0 110.151 -176.653 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 516' ' ' LYS . . . . . . . . . . . . . 39.4 mmtm 55.9 49.99 14.86 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-N 116.038 -0.528 . . . . 1.89 111.444 176.059 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 517' ' ' GLY . . . . . . . . . . . . . . . -109.44 -79.42 1.1 Allowed Glycine 0 N--CA 1.448 -0.514 0 N-CA-C 111.127 -0.789 . . . . 2.04 111.127 175.825 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 518' ' ' ALA . . . . . . . . . . . . . . . -88.19 92.26 9.09 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 108.937 -0.764 . . . . 1.75 108.937 173.099 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 519' ' ' GLY . . . . . . . . . . . . . . . 105.93 99.16 2.59 Favored Glycine 0 N--CA 1.445 -0.715 0 N-CA-C 110.144 -1.182 . . . . 0.67 110.144 -170.322 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 520' ' ' ARG . . . . . . . . . . . . . 45.8 mtm-85 -119.93 132.81 55.64 Favored 'General case' 0 C--N 1.323 -0.579 0 C-N-CA 119.975 -0.69 . . . . 2.22 111.105 -179.039 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 521' ' ' VAL . . . . . 0.832 HG13 HD21 ' A' ' 599' ' ' LEU . 84.0 t -118.26 123.18 71.22 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.71 0 CA-C-N 115.27 -0.877 . . . . 0.32 110.509 170.135 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 522' ' ' VAL . . . . . 0.578 ' HB ' ' O ' ' A' ' 561' ' ' LEU . 24.5 t -120.03 121.87 67.01 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.924 0 N-CA-C 107.9 -1.148 . . . . 0.22 107.9 174.525 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 523' ' ' HIS . . . . . . . . . . . . . 39.8 t-80 -105.75 131.02 53.61 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-O 121.152 0.501 . . . . 0.44 110.276 -174.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 524' ' ' ILE . . . . . 0.477 HD11 HD22 ' A' ' 561' ' ' LEU . 40.3 mt -110.38 138.88 36.32 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.039 0 N-CA-C 108.372 -0.973 . . . . 0.19 108.372 178.405 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 525' ' ' CYS . . . . . 0.462 ' O ' ' HB2' ' A' ' 526' ' ' ASN . 3.8 p -138.24 163.54 31.48 Favored 'General case' 0 C--N 1.31 -1.115 0 C-N-CA 120.638 -0.425 . . . . 1.17 111.419 -175.709 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 526' ' ' ASN . . . . . 0.462 ' HB2' ' O ' ' A' ' 525' ' ' CYS . 90.4 m-20 83.45 27.08 0.1 Allowed 'General case' 0 CA--C 1.516 -0.341 0 O-C-N 124.766 1.292 . . . . 0.26 110.561 175.813 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 527' ' ' LEU . . . . . 0.549 HD23 HD22 ' A' ' 588' ' ' LEU . 90.3 mt -82.14 125.32 77.36 Favored Pre-proline 0 C--N 1.325 -0.465 0 N-CA-C 108.352 -0.981 . . . . 0.25 108.352 176.684 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 528' ' ' PRO . . . . . 0.444 ' HB3' ' OE2' ' A' ' 586' ' ' GLU . 37.3 Cg_endo -74.85 134.59 18.28 Favored 'Trans proline' 0 N--CA 1.457 -0.675 0 C-N-CA 121.324 1.35 . . . . 0.38 112.469 -179.09 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 529' ' ' GLU . . . . . . . . . . . . . 7.7 tp10 -65.14 139.68 58.71 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.629 -0.714 . . . . 1.6 109.525 175.826 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 530' ' ' GLY . . . . . . . . . . . . . . . 91.13 4.3 68.98 Favored Glycine 0 N--CA 1.443 -0.892 0 N-CA-C 110.806 -0.918 . . . . 0.48 110.806 -173.21 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 531' ' ' SER . . . . . 0.411 ' HB3' ' HG2' ' A' ' 528' ' ' PRO . 39.3 t -156.48 9.05 0.22 Allowed 'General case' 0 N--CA 1.449 -0.51 0 CA-C-O 120.867 0.365 . . . . 1.08 110.467 -174.012 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 532' ' ' CYS . . . . . . . . . . . . . 74.8 m -89.25 81.2 6.73 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 109.229 -0.656 . . . . 0.25 109.229 178.658 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 533' ' ' THR . . . . . 0.45 ' O ' HG23 ' A' ' 537' ' ' VAL . 27.2 p -104.15 153.7 20.63 Favored 'General case' 0 N--CA 1.445 -0.685 0 C-N-CA 119.575 -0.85 . . . . 0.35 109.228 -178.5 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 534' ' ' GLU . . . . . 0.813 ' HA ' HD11 ' A' ' 552' ' ' LEU . 20.7 mp0 -63.27 -32.62 74.08 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-O 121.259 0.552 . . . . 1.64 109.756 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 535' ' ' ASN . . . . . . . . . . . . . 63.6 t30 -62.67 -48.88 77.38 Favored 'General case' 0 C--O 1.216 -0.663 0 CA-C-N 115.177 -0.92 . . . . 1.82 111.133 -178.205 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 536' ' ' ASP . . . . . . . . . . . . . 65.2 m-20 -68.86 -46.11 69.33 Favored 'General case' 0 N--CA 1.472 0.66 0 CA-C-O 121.648 0.737 . . . . 0.61 110.77 -171.588 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 537' ' ' VAL . . . . . 0.45 HG23 ' O ' ' A' ' 533' ' ' THR . 26.6 t -60.18 -48.41 88.19 Favored 'Isoleucine or valine' 0 C--O 1.241 0.644 0 CA-C-N 114.339 -1.301 . . . . 0.15 109.888 -177.298 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 538' ' ' ILE . . . . . 0.598 HD11 ' CG ' ' A' ' 550' ' ' TYR . 59.2 mt -69.33 -34.19 61.44 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.764 0 CA-C-N 115.274 -0.876 . . . . 0.23 111.917 177.107 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 539' ' ' ASN . . . . . 0.517 ' HA ' HD11 ' A' ' 615' ' ' ILE . 10.2 m120 -59.02 -26.48 64.59 Favored 'General case' 0 CA--C 1.515 -0.403 0 O-C-N 122.227 -0.296 . . . . 0.25 110.641 177.601 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 540' ' ' LEU . . . . . 0.484 HD11 HD12 ' A' ' 588' ' ' LEU . 89.0 mt -75.67 -42.17 51.99 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 109.719 -0.474 . . . . 0.27 109.719 172.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 541' ' ' GLY . . . . . 0.532 ' HA3' HD21 ' A' ' 561' ' ' LEU . . . -63.96 -52.07 48.02 Favored Glycine 0 CA--C 1.523 0.547 0 N-CA-C 115.36 0.904 . . . . 0.19 115.36 -179.665 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 542' ' ' LEU . . . . . 0.439 HD23 ' H ' ' A' ' 547' ' ' VAL . 74.7 mt -56.15 -45.38 99.92 Favored Pre-proline 0 C--N 1.322 -0.608 0 N-CA-C 114.917 1.451 . . . . 0.2 114.917 -168.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 543' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_exo -60.23 -26.99 83.97 Favored 'Trans proline' 0 C--N 1.347 0.463 0 C-N-CA 122.067 1.845 . . . . 0.23 113.676 -178.129 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 544' ' ' PHE . . . . . 0.494 ' HB2' ' HE2' ' A' ' 572' ' ' MET . 90.6 m-85 -100.81 -7.22 23.83 Favored 'General case' 0 C--N 1.33 -0.269 0 C-N-CA 120.866 -0.334 . . . . 0.33 111.239 179.67 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 545' ' ' GLY . . . . . 0.412 ' O ' ' HA ' ' A' ' 542' ' ' LEU . . . 168.86 151.55 7.26 Favored Glycine 0 N--CA 1.449 -0.463 0 C-N-CA 120.554 -0.832 . . . . 0.44 112.24 -179.374 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 546' ' ' LYS . . . . . . . . . . . . . 37.0 ttpt -66.13 128.78 37.44 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.033 0.444 . . . . 2.07 111.15 -178.119 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 547' ' ' VAL . . . . . 0.582 ' HB ' HG11 ' A' ' 608' ' ' VAL . 72.3 t -88.33 115.68 28.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-N 115.445 -0.798 . . . . 0.2 110.4 177.447 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 548' ' ' THR . . . . . . . . . . . . . 20.5 p -95.2 -36.75 11.33 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.213 -0.448 . . . . 0.31 111.944 179.337 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 549' ' ' ASN . . . . . 0.457 ' HB2' ' HB3' ' A' ' 562' ' ' GLU . 7.3 m-20 -141.09 153.94 45.69 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 109.372 -0.603 . . . . 1.26 109.372 -177.778 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 550' ' ' TYR . . . . . 0.598 ' CG ' HD11 ' A' ' 538' ' ' ILE . 3.3 p90 -159.44 151.99 21.4 Favored 'General case' 0 C--N 1.318 -0.782 0 N-CA-C 109.743 -0.465 . . . . 0.31 109.743 179.583 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 551' ' ' ILE . . . . . 0.655 HG23 ' N3 ' ' B' ' 5' ' ' ' U' . 55.4 mt -143.23 121.65 7.33 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 N-CA-C 107.844 -1.169 . . . . 0.22 107.844 -179.217 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 552' ' ' LEU . . . . . 0.813 HD11 ' HA ' ' A' ' 534' ' ' GLU . 20.6 mt -109.97 126.64 54.14 Favored 'General case' 0 C--N 1.315 -0.92 0 C-N-CA 119.273 -0.971 . . . . 0.43 110.152 -179.768 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 553' ' ' MET . . . . . 0.771 ' HA ' " H4'" ' B' ' 5' ' ' ' U' . 62.8 mtm -109.29 83.89 1.83 Allowed 'General case' 0 C--N 1.318 -0.763 0 N-CA-C 108.853 -0.795 . . . . 1.03 108.853 -179.615 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 554' ' ' LYS . . . . . 0.418 ' HG2' ' H ' ' A' ' 554' ' ' LYS . 21.9 mmtp -53.12 -28.04 23.78 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 114.807 -1.088 . . . . 1.03 112.314 176.277 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 555' ' ' SER . . . . . . . . . . . . . 66.2 p -69.21 -44.35 72.27 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.963 0.411 . . . . 0.51 111.415 -175.316 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 556' ' ' THR . . . . . . . . . . . . . 41.1 p -99.05 2.61 46.32 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.378 -0.373 . . . . 0.45 111.829 -176.462 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 557' ' ' ASN . . . . . 0.478 ' HB3' ' O ' ' A' ' 527' ' ' LEU . 3.4 m-20 57.88 38.51 27.11 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-O 121.796 0.807 . . . . 1.28 110.304 -177.783 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 558' ' ' GLN . . . . . 0.41 ' HB2' ' HE3' ' A' ' 553' ' ' MET . 27.6 mt-30 -139.12 164.47 29.7 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 114.848 -1.069 . . . . 0.84 108.717 -178.045 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 559' ' ' ALA . . . . . . . . . . . . . . . -157.74 166.51 32.57 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 121.235 0.541 . . . . 0.16 112.331 -174.741 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 560' ' ' PHE . . . . . 0.455 ' HB2' ' HB ' ' A' ' 551' ' ' ILE . 92.8 m-85 -122.12 146.65 47.02 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.494 -0.776 . . . . 0.35 110.923 176.208 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 561' ' ' LEU . . . . . 0.578 ' O ' ' HB ' ' A' ' 522' ' ' VAL . 50.4 tp -137.37 120.15 16.3 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.572 -0.74 . . . . 0.2 110.1 -178.249 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 562' ' ' GLU . . . . . 0.481 ' HB2' HD12 ' A' ' 599' ' ' LEU . 29.2 tt0 -99.72 129.83 45.88 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.442 0.639 . . . . 2.09 110.386 177.862 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 563' ' ' MET . . . . . 0.636 ' SD ' ' HA ' ' A' ' 569' ' ' ALA . 27.7 mtt -115.95 155.92 27.16 Favored 'General case' 0 C--N 1.316 -0.88 0 CA-C-N 114.999 -1.001 . . . . 0.39 109.399 -176.276 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 564' ' ' ALA . . . . . . . . . . . . . . . -72.85 -18.71 61.42 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 112.394 0.516 . . . . 0.5 112.394 -170.002 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 565' ' ' TYR . . . . . 0.448 ' CB ' ' HG2' ' A' ' 567' ' ' GLU . 95.8 m-85 -145.21 155.91 43.54 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.68 0.276 . . . . 1.15 110.478 -179.534 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 566' ' ' THR . . . . . . . . . . . . . 3.9 t -68.06 -27.82 66.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.985 -0.552 . . . . 0.57 109.804 179.521 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 567' ' ' GLU . . . . . 0.448 ' HG2' ' CB ' ' A' ' 565' ' ' TYR . 12.8 pt-20 -59.51 -32.71 70.54 Favored 'General case' 0 C--O 1.231 0.096 0 CA-C-N 115.523 -0.762 . . . . 0.89 110.895 176.827 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 568' ' ' ALA . . . . . 0.658 ' O ' ' HG3' ' A' ' 572' ' ' MET . . . -73.06 -40.91 64.67 Favored 'General case' 0 N--CA 1.45 -0.425 0 CA-C-N 115.936 -0.575 . . . . 0.26 109.85 -177.729 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 569' ' ' ALA . . . . . 0.636 ' HA ' ' SD ' ' A' ' 563' ' ' MET . . . -64.9 -45.77 84.52 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.662 -0.699 . . . . 0.24 111.066 -177.517 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 570' ' ' GLN . . . . . . . . . . . . . 20.5 pt20 -68.9 -36.68 78.32 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.036 -0.529 . . . . 1.24 110.575 -179.066 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 571' ' ' ALA . . . . . . . . . . . . . . . -63.89 -45.9 87.29 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-N 116.498 -0.319 . . . . 0.31 111.271 -178.549 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 572' ' ' MET . . . . . 0.658 ' HG3' ' O ' ' A' ' 568' ' ' ALA . 29.2 mtt -67.4 -43.36 81.49 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.523 -0.308 . . . . 0.47 110.682 -177.88 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 573' ' ' VAL . . . . . 0.588 ' O ' ' HG3' ' A' ' 577' ' ' GLN . 97.8 t -59.61 -48.04 88.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-O 120.679 0.276 . . . . 0.34 110.283 179.074 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 574' ' ' GLN . . . . . . . . . . . . . 84.5 mm-40 -62.51 -36.83 83.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.274 -0.421 . . . . 2.09 111.148 -179.833 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 575' ' ' TYR . . . . . . . . . . . . . 88.9 t80 -68.21 -52.06 38.51 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.971 -0.559 . . . . 0.48 110.548 -178.894 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 576' ' ' TYR . . . . . 0.556 ' CE1' ' HB2' ' A' ' 581' ' ' ALA . 62.7 m-85 -76.51 -13.23 60.11 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 113.14 0.793 . . . . 0.36 113.14 -176.076 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 577' ' ' GLN . . . . . 0.588 ' HG3' ' O ' ' A' ' 573' ' ' VAL . 92.6 mt-30 -68.29 -42.34 79.65 Favored 'General case' 0 C--N 1.325 -0.471 0 C-N-CA 120.363 -0.535 . . . . 1.89 109.725 171.523 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 578' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -92.28 -37.27 12.75 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.849 -0.614 . . . . 2.14 111.608 -179.865 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 579' ' ' LYS . . . . . 0.43 ' O ' ' HA ' ' A' ' 576' ' ' TYR . 56.4 mtpt -128.76 84.39 63.26 Favored Pre-proline 0 C--N 1.327 -0.404 0 N-CA-C 110.237 -0.283 . . . . 2.46 110.237 175.179 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 580' ' ' PRO . . . . . . . . . . . . . 30.6 Cg_endo -64.44 160.51 39.06 Favored 'Trans proline' 0 C--O 1.234 0.312 0 C-N-CA 122.634 2.222 . . . . 0.37 112.536 -178.939 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 581' ' ' ALA . . . . . 0.556 ' HB2' ' CE1' ' A' ' 576' ' ' TYR . . . -90.58 134.54 34.31 Favored 'General case' 0 CA--C 1.517 -0.297 0 N-CA-C 109.721 -0.474 . . . . 0.27 109.721 178.631 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 582' ' ' ILE . . . . . . . . . . . . . 23.0 mt -103.93 120.83 54.68 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.741 0 CA-C-N 116.357 -0.383 . . . . 0.51 111.519 -174.669 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 583' ' ' ILE . . . . . 0.437 ' CG1' HD11 ' A' ' 588' ' ' LEU . 29.2 mm -124.7 112.6 32.65 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 N-CA-C 109.473 -0.566 . . . . 0.51 109.473 173.822 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 584' ' ' ASN . . . . . . . . . . . . . 96.0 m-20 59.19 34.03 22.99 Favored 'General case' 0 N--CA 1.468 0.448 0 CA-C-O 121.404 0.621 . . . . 1.1 110.606 -178.32 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 585' ' ' GLY . . . . . . . . . . . . . . . 79.8 4.69 89.52 Favored Glycine 0 N--CA 1.447 -0.586 0 CA-C-N 115.397 -0.82 . . . . 0.44 113.25 179.298 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 586' ' ' GLU . . . . . 0.444 ' OE2' ' HB3' ' A' ' 528' ' ' PRO . 47.3 mt-10 -105.09 125.85 51.43 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.013 0.435 . . . . 1.79 110.534 178.477 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 587' ' ' LYS . . . . . . . . . . . . . 33.1 mmtp -75.66 125.8 29.77 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.427 -0.806 . . . . 1.67 111.385 -178.505 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 588' ' ' LEU . . . . . 0.549 HD22 HD23 ' A' ' 527' ' ' LEU . 41.6 mt -89.41 138.86 31.08 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.993 -0.549 . . . . 0.24 110.734 179.331 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 589' ' ' LEU . . . . . 0.445 ' HB3' ' SG ' ' A' ' 525' ' ' CYS . 58.4 tp -113.99 116.18 28.8 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.252 -0.431 . . . . 0.38 110.881 178.535 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 590' ' ' ILE . . . . . 0.517 HD12 ' CE2' ' A' ' 576' ' ' TYR . 26.6 mt -101.34 127.48 54.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 N-CA-C 109.952 -0.388 . . . . 0.26 109.952 174.801 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 591' ' ' ARG . . . . . . . . . . . . . 64.4 mtt-85 -147.39 165.11 31.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.806 0.336 . . . . 2.62 110.812 -177.156 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 592' ' ' MET . . . . . . . . . . . . . 65.1 mtt -82.26 141.17 33.17 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 109.442 -0.577 . . . . 0.34 109.442 176.413 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 593' ' ' SER . . . . . . . . . . . . . 38.5 t -79.4 135.88 36.81 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.32 0.581 . . . . 1.37 110.733 -178.517 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 594' ' ' THR . . . . . . . . . . . . . 22.9 p -89.91 -18.61 25.8 Favored 'General case' 0 C--N 1.316 -0.858 0 CA-C-N 115.043 -0.98 . . . . 0.38 111.229 -179.285 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 595' ' ' ARG . . . . . . . . . . . . . 97.8 mtt180 -103.23 -27.84 12.26 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.984 -0.553 . . . . 2.75 112.177 -169.409 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 596' ' ' TYR . . . . . . . . . . . . . 32.7 m-85 -116.86 144.13 44.87 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.129 0.49 . . . . 0.65 111.912 -177.875 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 597' ' ' LYS . . . . . 0.414 ' N ' ' HD2' ' A' ' 597' ' ' LYS . 0.6 OUTLIER -106.11 -24.25 12.41 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.486 -0.779 . . . . 2.18 111.357 178.757 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 598' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -142.68 149.11 38.42 Favored 'General case' 0 C--N 1.327 -0.402 0 C-N-CA 120.412 -0.515 . . . . 0.95 111.269 179.243 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 599' ' ' LEU . . . . . 0.832 HD21 HG13 ' A' ' 521' ' ' VAL . 59.7 mt -100.49 121.79 42.15 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.35 -0.841 . . . . 0.45 111.383 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 600' ' ' GLN . . . . . . . . . . . . . 45.0 tt0 -101.42 117.53 35.14 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.832 -0.622 . . . . 1.52 110.072 177.881 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 601' ' ' LEU . . . . . . . . . . . . . 79.2 mt -77.21 95.5 4.32 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 120.661 0.267 . . . . 0.46 110.438 177.185 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 602' ' ' LYS . . . . . . . . . . . . . 52.6 mttp -81.13 -18.61 45.83 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.231 0.539 . . . . 1.73 109.892 175.463 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 603' ' ' LYS . . . . . . . . . . . . . 75.1 mmtt -114.74 151.15 45.1 Favored Pre-proline 0 C--N 1.323 -0.572 0 CA-C-N 115.448 -0.796 . . . . 1.69 109.928 -179.46 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 604' ' ' PRO . . . . . . . . . . . . . 39.3 Cg_endo -66.56 148.63 83.82 Favored 'Trans proline' 0 C--O 1.236 0.405 0 C-N-CA 122.773 2.315 . . . . 1.21 112.028 178.782 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 605' ' ' GLY . . . . . . . . . . . . . . . -123.04 128.27 6.98 Favored Glycine 0 N--CA 1.442 -0.946 0 C-N-CA 120.839 -0.696 . . . . 1.23 112.283 -177.6 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 606' ' ' LYS . . . . . . . . . . . . . 34.5 mmtp -60.59 151.7 28.14 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 109.199 -0.667 . . . . 3.47 109.199 174.963 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 607' ' ' ASN . . . . . . . . . . . . . 28.5 t-20 -57.48 120.8 8.89 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.238 0.542 . . . . 1.33 110.514 177.102 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 608' ' ' VAL . . . . . 0.582 HG11 ' HB ' ' A' ' 547' ' ' VAL . 98.3 t -81.18 -20.44 11.11 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-N 115.406 -0.815 . . . . 0.3 111.443 -173.598 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 609' ' ' ALA . . . . . . . . . . . . . . . -63.7 -34.93 78.96 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.492 0.663 . . . . 0.44 110.234 175.068 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 610' ' ' ALA . . . . . . . . . . . . . . . -66.48 -27.37 67.74 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.584 -0.735 . . . . 0.4 110.301 176.153 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 611' ' ' ILE . . . . . 0.421 ' CD1' HD12 ' A' ' 538' ' ' ILE . 72.8 mt -70.75 -30.76 43.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 N-CA-C 109.501 -0.555 . . . . 0.25 109.501 177.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 612' ' ' ILE . . . . . 0.439 HG12 HD13 ' A' ' 542' ' ' LEU . 66.4 mt -61.25 -39.22 81.82 Favored 'Isoleucine or valine' 0 C--O 1.233 0.198 0 N-CA-C 109.583 -0.525 . . . . 0.31 109.583 171.13 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 613' ' ' GLN . . . . . . . . . . . . . 12.0 mm100 -65.12 -32.55 74.31 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.752 -0.658 . . . . 2.31 110.125 176.912 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 614' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -66.14 -37.96 86.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.568 -0.742 . . . . 1.95 110.403 176.608 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 615' ' ' ILE . . . . . 0.517 HD11 ' HA ' ' A' ' 539' ' ' ASN . 84.1 mt -68.06 -34.34 66.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 115.998 -0.547 . . . . 0.35 110.188 176.182 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 616' ' ' HIS . . . . . . . . . . . . . 62.3 m170 -63.16 -36.52 83.89 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.961 -0.563 . . . . 1.26 110.56 179.224 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 617' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -75.04 -36.54 61.86 Favored 'General case' 0 N--CA 1.448 -0.566 0 CA-C-N 116.58 -0.282 . . . . 1.18 111.444 176.109 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 618' ' ' GLN . . . . . . . . . . . . . 96.6 mt-30 -138.04 102.89 4.81 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-O 120.828 0.346 . . . . 4.68 111.922 -178.021 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 619' ' ' ARG . . . . . . . . . . . . . 6.3 mpt_? -84.17 152.05 24.5 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.165 -0.47 . . . . 7.77 110.717 172.962 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 620' ' ' GLU . . . . . . . . . . . . . 33.5 mm-40 54.57 79.94 0.13 Allowed 'General case' 0 CA--C 1.521 -0.167 0 O-C-N 123.755 0.659 . . . . 7.92 110.729 -178.255 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 621' ' ' ARG . . . . . . . . . . . . . 25.0 tpt180 . . . . . 0 C--O 1.247 0.97 0 CA-C-O 118.248 -0.882 . . . . 11.0 110.872 -176.774 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 1' ' ' ADN . . . . . 0.576 HN61 HG21 ' A' ' 594' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 2' ' ' ' U' . . . . . 0.54 ' H6 ' " O3'" ' B' ' 1' ' ' ADN . . . . . . . . 0 O5'--C5' 1.425 -0.918 0 C3'-C2'-C1' 99.537 -2.181 . 0.0 '__' . 2.99 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 3' ' ' ' C' . . . . . 0.492 ' H41' ' C4 ' ' B' ' 1' ' ' ADN . . . . . . . . 0 O5'--C5' 1.427 -0.821 0 C3'-C2'-C1' 100.466 -1.149 . 0.0 OUTLIER gamma 1.58 . . . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 4' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.899 0 C3'-C2'-C1' 100.808 -0.769 . 0.06 0b . 1.15 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 5' ' ' ' U' . . . . . 0.606 ' O4 ' ' HA ' ' A' ' 601' ' ' LEU . . . . . . . . 0 O5'--C5' 1.426 -0.847 0 C3'-C2'-C1' 100.313 -1.319 . 0.01 0b . 1.33 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 6' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.428 -0.726 0 C3'-C2'-C1' 100.861 -0.71 . 0.0 OUTLIER beta 4.23 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 510' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.751 0 N-CA-C 111.59 -0.604 . . . . 8.88 111.59 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 511' ' ' ALA . . . . . . . . . . . . . . . 66.7 -77.85 0.04 OUTLIER 'General case' 0 N--CA 1.466 0.338 0 C-N-CA 123.13 0.572 . . . . 6.64 111.382 -179.283 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 512' ' ' MET . . . . . . . . . . . . . 26.0 ptt? -99.79 -178.89 4.01 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 109.541 -0.54 . . . . 6.33 109.541 177.669 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 513' ' ' ALA . . . . . . . . . . . . . . . 59.19 45.19 14.7 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-O 121.36 0.6 . . . . 4.2 110.421 -178.262 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 514' ' ' GLN . . . . . . . . . . . . . 74.9 mt-30 -74.57 158.93 32.87 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.509 -0.769 . . . . 2.88 110.601 -177.913 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 515' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -84.19 54.1 2.84 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.959 -0.564 . . . . 4.0 110.685 -175.78 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 516' ' ' LYS . . . . . . . . . . . . . 67.7 mmtt -115.64 20.85 14.39 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.722 -0.672 . . . . 1.89 109.734 179.014 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 517' ' ' GLY . . . . . . . . . . . . . . . -91.34 43.14 2.8 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.933 -0.651 . . . . 2.04 112.964 -175.94 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 518' ' ' ALA . . . . . . . . . . . . . . . -175.1 -43.45 0.01 OUTLIER 'General case' 0 CA--C 1.511 -0.54 0 CA-C-O 122.292 1.044 . . . . 1.75 108.972 179.863 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 519' ' ' GLY . . . . . . . . . . . . . . . -136.77 148.49 19.76 Favored Glycine 0 N--CA 1.44 -1.062 0 CA-C-N 113.339 -1.755 . . . . 0.67 109.729 174.439 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 520' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -134.34 135.35 42.67 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 117.917 0.858 . . . . 2.22 110.784 178.701 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 521' ' ' VAL . . . . . 0.681 HG13 HD21 ' A' ' 599' ' ' LEU . 59.2 t -115.18 118.43 58.78 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.753 0 N-CA-C 109.113 -0.699 . . . . 0.32 109.113 169.404 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 522' ' ' VAL . . . . . 0.775 HG21 ' SD ' ' A' ' 563' ' ' MET . 21.9 t -121.59 123.5 69.62 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.976 0 N-CA-C 107.773 -1.195 . . . . 0.22 107.773 178.953 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 523' ' ' HIS . . . . . . . . . . . . . 48.0 t-80 -104.71 128.77 52.9 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-O 121.054 0.454 . . . . 0.44 109.928 -173.894 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 524' ' ' ILE . . . . . 0.44 HG23 HG12 ' A' ' 590' ' ' ILE . 31.6 mt -111.61 139.67 34.72 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.081 0 N-CA-C 108.352 -0.981 . . . . 0.19 108.352 178.745 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 525' ' ' CYS . . . . . 0.601 ' SG ' ' HB3' ' A' ' 589' ' ' LEU . 6.0 p -138.07 165.54 26.36 Favored 'General case' 0 C--N 1.313 -0.989 0 C-N-CA 120.448 -0.501 . . . . 1.17 111.342 -177.604 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 526' ' ' ASN . . . . . 0.484 ' HB2' ' O ' ' A' ' 525' ' ' CYS . 93.0 m-20 86.5 25.98 0.05 Allowed 'General case' 0 N--CA 1.468 0.47 0 O-C-N 124.985 1.428 . . . . 0.26 109.969 176.272 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 527' ' ' LEU . . . . . 0.538 ' HB3' ' SG ' ' A' ' 532' ' ' CYS . 79.2 mt -84.97 125.35 70.84 Favored Pre-proline 0 C--N 1.323 -0.57 0 CA-C-N 114.929 -1.032 . . . . 0.25 108.612 175.885 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 528' ' ' PRO . . . . . 0.425 ' HD3' ' HA ' ' A' ' 527' ' ' LEU . 2.6 Cg_exo -73.91 133.93 19.06 Favored 'Trans proline' 0 N--CA 1.457 -0.627 0 C-N-CA 121.509 1.473 . . . . 0.38 111.265 179.061 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 529' ' ' GLU . . . . . . . . . . . . . 66.9 tt0 -64.69 138.75 58.57 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 109.509 -0.552 . . . . 1.6 109.509 177.117 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 530' ' ' GLY . . . . . . . . . . . . . . . 87.7 3.52 80.55 Favored Glycine 0 N--CA 1.444 -0.782 0 C-N-CA 120.286 -0.959 . . . . 0.48 110.923 -173.034 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 531' ' ' SER . . . . . . . . . . . . . 48.8 m -148.04 2.74 0.69 Allowed 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.03 0.443 . . . . 1.08 110.358 -174.483 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 532' ' ' CYS . . . . . 0.538 ' SG ' ' HB3' ' A' ' 527' ' ' LEU . 35.0 m -89.08 85.72 6.74 Favored 'General case' 0 CA--C 1.513 -0.446 0 N-CA-C 108.404 -0.961 . . . . 0.25 108.404 178.712 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 533' ' ' THR . . . . . 0.528 ' O ' HG23 ' A' ' 537' ' ' VAL . 46.2 p -97.07 151.93 19.27 Favored 'General case' 0 C--N 1.314 -0.941 0 C-N-CA 119.737 -0.785 . . . . 0.35 109.015 -178.4 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 534' ' ' GLU . . . . . 0.487 ' N ' HD11 ' A' ' 552' ' ' LEU . 37.2 mt-10 -65.58 -33.27 75.51 Favored 'General case' 0 C--N 1.318 -0.764 0 N-CA-C 108.537 -0.912 . . . . 1.64 108.537 176.233 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 535' ' ' ASN . . . . . . . . . . . . . 12.6 m120 -62.39 -49.55 75.05 Favored 'General case' 0 C--O 1.213 -0.848 0 CA-C-N 114.682 -1.145 . . . . 1.82 111.644 -179.84 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 536' ' ' ASP . . . . . . . . . . . . . 18.6 m-20 -69.18 -45.67 69.4 Favored 'General case' 0 N--CA 1.47 0.568 0 CA-C-N 118.672 0.669 . . . . 0.61 111.101 -173.554 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 537' ' ' VAL . . . . . 0.528 HG23 ' O ' ' A' ' 533' ' ' THR . 35.7 t -59.77 -48.73 86.49 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 CA-C-N 114.938 -1.028 . . . . 0.15 110.055 -178.053 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 538' ' ' ILE . . . . . 0.723 HD11 ' CG ' ' A' ' 550' ' ' TYR . 41.7 mt -69.42 -34.48 62.43 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.658 0 CA-C-N 115.59 -0.732 . . . . 0.23 112.042 176.782 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 539' ' ' ASN . . . . . 0.478 ' HA ' HD11 ' A' ' 615' ' ' ILE . 98.2 m-20 -59.21 -26.58 64.96 Favored 'General case' 0 CA--C 1.515 -0.37 0 O-C-N 122.239 -0.288 . . . . 0.25 110.661 178.476 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 540' ' ' LEU . . . . . . . . . . . . . 97.3 mt -75.83 -42.05 50.77 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 109.867 -0.419 . . . . 0.27 109.867 172.382 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 541' ' ' GLY . . . . . 0.531 ' HA3' HD21 ' A' ' 561' ' ' LEU . . . -63.31 -51.37 55.32 Favored Glycine 0 CA--C 1.524 0.607 0 N-CA-C 115.489 0.955 . . . . 0.19 115.489 -179.759 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 542' ' ' LEU . . . . . 0.478 HD13 HG12 ' A' ' 612' ' ' ILE . 74.1 mt -56.25 -45.82 99.87 Favored Pre-proline 0 C--N 1.319 -0.736 0 N-CA-C 114.548 1.314 . . . . 0.2 114.548 -169.339 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 543' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_exo -59.11 -25.55 78.38 Favored 'Trans proline' 0 C--N 1.349 0.574 0 C-N-CA 122.272 1.981 . . . . 0.23 114.143 -177.654 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 544' ' ' PHE . . . . . 0.448 ' HB2' ' HE2' ' A' ' 572' ' ' MET . 67.2 m-85 -98.93 -11.33 21.73 Favored 'General case' 0 C--N 1.331 -0.202 0 O-C-N 121.916 -0.49 . . . . 0.33 111.071 178.65 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 545' ' ' GLY . . . . . 0.439 ' O ' ' HA ' ' A' ' 542' ' ' LEU . . . 169.78 154.47 9.29 Favored Glycine 0 N--CA 1.449 -0.444 0 C-N-CA 120.976 -0.63 . . . . 0.44 112.122 -177.298 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 546' ' ' LYS . . . . . . . . . . . . . 40.4 ttmt -66.11 131.95 47.37 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 120.754 0.311 . . . . 2.07 111.066 -178.662 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 547' ' ' VAL . . . . . 0.598 ' HB ' HG11 ' A' ' 608' ' ' VAL . 69.9 t -90.08 116.72 31.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-N 116.01 -0.541 . . . . 0.2 111.034 177.517 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 548' ' ' THR . . . . . . . . . . . . . 21.4 p -94.65 -35.18 12.3 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 112.122 0.416 . . . . 0.31 112.122 178.14 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 549' ' ' ASN . . . . . 0.504 ' HB2' ' HB3' ' A' ' 562' ' ' GLU . 4.8 m-20 -140.9 150.09 42.74 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.828 0.347 . . . . 1.26 110.402 -176.954 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 550' ' ' TYR . . . . . 0.723 ' CG ' HD11 ' A' ' 538' ' ' ILE . 3.7 p90 -157.62 151.01 23.63 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.98 -0.555 . . . . 0.31 109.955 179.321 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 551' ' ' ILE . . . . . 0.565 HG23 ' C6 ' ' B' ' 5' ' ' ' U' . 72.1 mt -144.48 124.05 7.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 N-CA-C 108.801 -0.814 . . . . 0.22 108.801 -175.201 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 552' ' ' LEU . . . . . 0.487 HD11 ' N ' ' A' ' 534' ' ' GLU . 26.7 mt -108.32 119.03 38.31 Favored 'General case' 0 C--N 1.319 -0.752 0 C-N-CA 120.398 -0.521 . . . . 0.43 110.718 -179.034 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 553' ' ' MET . . . . . . . . . . . . . 61.2 mtm -109.54 83.38 1.74 Allowed 'General case' 0 C--N 1.32 -0.7 0 C-N-CA 119.676 -0.809 . . . . 1.03 109.252 178.837 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 554' ' ' LYS . . . . . 0.429 ' HD2' ' HB2' ' A' ' 532' ' ' CYS . 23.9 mmtp -53.35 -27.16 22.09 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 114.698 -1.137 . . . . 1.03 112.262 174.669 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 555' ' ' SER . . . . . . . . . . . . . 66.5 p -68.77 -44.14 74.3 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.986 0.422 . . . . 0.51 110.977 -175.593 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 556' ' ' THR . . . . . 0.458 ' O ' ' HG3' ' A' ' 558' ' ' GLN . 40.6 p -98.68 2.32 47.03 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 112.311 0.486 . . . . 0.45 112.311 -176.869 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 557' ' ' ASN . . . . . . . . . . . . . 36.5 m-80 58.31 39.16 25.81 Favored 'General case' 0 N--CA 1.467 0.424 0 CA-C-O 121.986 0.898 . . . . 1.28 110.104 -177.001 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 558' ' ' GLN . . . . . 0.458 ' HG3' ' O ' ' A' ' 556' ' ' THR . 73.0 mt-30 -139.83 164.35 30.21 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 114.593 -1.185 . . . . 0.84 108.988 -176.385 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 559' ' ' ALA . . . . . 0.432 ' HB1' HD23 ' A' ' 552' ' ' LEU . . . -157.02 164.63 37.76 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 120.942 0.401 . . . . 0.16 111.455 -177.503 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 560' ' ' PHE . . . . . 0.495 ' HB2' ' HB ' ' A' ' 551' ' ' ILE . 91.0 m-85 -120.96 148.78 43.62 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.013 -0.539 . . . . 0.35 110.953 177.3 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 561' ' ' LEU . . . . . 0.626 ' O ' ' HB ' ' A' ' 522' ' ' VAL . 55.5 tp -143.03 118.2 10.14 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.492 -0.776 . . . . 0.2 109.897 -178.73 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 562' ' ' GLU . . . . . 0.504 ' HB3' ' HB2' ' A' ' 549' ' ' ASN . 43.7 tt0 -101.14 131.22 47.19 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.44 0.638 . . . . 2.09 111.113 174.795 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 563' ' ' MET . . . . . 0.775 ' SD ' HG21 ' A' ' 522' ' ' VAL . 2.1 mpt? -102.9 146.81 27.74 Favored 'General case' 0 C--N 1.314 -0.947 0 CA-C-N 114.806 -1.088 . . . . 0.39 108.79 175.332 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 564' ' ' ALA . . . . . . . . . . . . . . . -66.56 -15.98 63.82 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.015 -0.539 . . . . 0.5 111.48 -172.785 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 565' ' ' TYR . . . . . 0.502 ' HB3' ' HG2' ' A' ' 567' ' ' GLU . 74.8 m-85 -138.89 138.27 37.27 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 109.111 -0.699 . . . . 1.15 109.111 -178.125 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 566' ' ' THR . . . . . . . . . . . . . 15.2 t -63.84 -26.59 68.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.145 -0.48 . . . . 0.57 110.726 -177.484 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 567' ' ' GLU . . . . . 0.502 ' HG2' ' HB3' ' A' ' 565' ' ' TYR . 4.0 pt-20 -55.99 -33.71 65.11 Favored 'General case' 0 C--N 1.334 -0.107 0 CA-C-N 116.07 -0.514 . . . . 0.89 111.25 175.722 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 568' ' ' ALA . . . . . 0.658 ' O ' ' HG3' ' A' ' 572' ' ' MET . . . -73.52 -42.65 61.49 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.027 -0.533 . . . . 0.26 110.472 -176.34 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 569' ' ' ALA . . . . . 0.5 ' O ' HG23 ' A' ' 573' ' ' VAL . . . -64.95 -45.39 85.96 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.003 -0.544 . . . . 0.24 111.039 -176.816 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 570' ' ' GLN . . . . . . . . . . . . . 18.6 pt20 -68.57 -35.87 77.98 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.037 -0.529 . . . . 1.24 110.779 -179.161 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 571' ' ' ALA . . . . . . . . . . . . . . . -62.53 -41.76 99.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.858 0.361 . . . . 0.31 110.747 177.764 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 572' ' ' MET . . . . . 0.658 ' HG3' ' O ' ' A' ' 568' ' ' ALA . 52.6 mtt -65.35 -43.44 90.85 Favored 'General case' 0 CA--C 1.516 -0.349 0 CA-C-N 116.105 -0.498 . . . . 0.47 110.744 -179.51 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 573' ' ' VAL . . . . . 0.533 ' O ' ' HG2' ' A' ' 577' ' ' GLN . 57.4 t -58.71 -47.13 89.91 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.371 0 N-CA-C 109.817 -0.438 . . . . 0.34 109.817 179.663 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 574' ' ' GLN . . . . . . . . . . . . . 45.2 mt-30 -60.81 -39.84 90.49 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.949 0.404 . . . . 2.09 110.719 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 575' ' ' TYR . . . . . . . . . . . . . 76.1 t80 -69.08 -51.97 33.19 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.879 -0.601 . . . . 0.48 111.035 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 576' ' ' TYR . . . . . 0.567 ' CE2' HD12 ' A' ' 590' ' ' ILE . 70.1 m-85 -76.42 -14.21 60.07 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 113.23 0.826 . . . . 0.36 113.23 -175.586 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 577' ' ' GLN . . . . . 0.533 ' HG2' ' O ' ' A' ' 573' ' ' VAL . 14.6 mm100 -68.46 -40.96 80.87 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 108.999 -0.741 . . . . 1.89 108.999 169.64 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 578' ' ' GLU . . . . . . . . . . . . . 8.5 mm-40 -85.22 -38.94 18.36 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-N 115.574 -0.739 . . . . 2.14 110.957 -179.849 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 579' ' ' LYS . . . . . 0.478 ' O ' ' HA ' ' A' ' 576' ' ' TYR . 28.6 mtpp -137.54 95.41 11.37 Favored Pre-proline 0 C--N 1.328 -0.339 0 C-N-CA 122.433 0.293 . . . . 2.46 110.844 178.067 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 580' ' ' PRO . . . . . . . . . . . . . 42.4 Cg_endo -67.06 160.78 45.69 Favored 'Trans proline' 0 C--O 1.235 0.36 0 C-N-CA 122.329 2.019 . . . . 0.37 111.614 176.915 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 581' ' ' ALA . . . . . 0.425 ' HB2' ' CE1' ' A' ' 576' ' ' TYR . . . -91.15 136.17 33.27 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 110.045 -0.354 . . . . 0.27 110.045 -177.481 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 582' ' ' ILE . . . . . . . . . . . . . 60.4 mt -101.05 118.44 47.78 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.935 0 CA-C-O 120.887 0.375 . . . . 0.51 111.233 -174.318 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 583' ' ' ILE . . . . . . . . . . . . . 28.5 mm -125.62 112.4 30.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-N 116.015 -0.539 . . . . 0.51 109.763 173.699 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 584' ' ' ASN . . . . . . . . . . . . . 3.3 m-20 57.97 36.59 26.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.42 0.629 . . . . 1.1 110.266 178.236 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 585' ' ' GLY . . . . . . . . . . . . . . . 84.52 -2.29 88.1 Favored Glycine 0 N--CA 1.445 -0.706 0 CA-C-N 115.08 -0.964 . . . . 0.44 113.358 179.67 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 586' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -101.05 125.71 47.68 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 117.236 0.518 . . . . 1.79 111.232 -178.179 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 587' ' ' LYS . . . . . . . . . . . . . 96.7 mttt -81.01 114.72 20.07 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.17 -0.923 . . . . 1.67 111.423 178.181 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 588' ' ' LEU . . . . . . . . . . . . . 35.7 mt -78.59 141.59 37.95 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.396 -0.82 . . . . 0.24 111.206 -177.235 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 589' ' ' LEU . . . . . 0.601 ' HB3' ' SG ' ' A' ' 525' ' ' CYS . 62.3 tp -112.89 112.03 23.21 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.702 -0.681 . . . . 0.38 110.324 177.413 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 590' ' ' ILE . . . . . 0.567 HD12 ' CE2' ' A' ' 576' ' ' TYR . 19.4 mt -102.21 117.87 48.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 N-CA-C 109.883 -0.414 . . . . 0.26 109.883 175.569 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 591' ' ' ARG . . . . . 0.475 ' NE ' HD11 ' A' ' 589' ' ' LEU . 99.4 mtt180 -145.95 165.97 27.41 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 109.741 -0.466 . . . . 2.62 109.741 -179.677 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 592' ' ' MET . . . . . . . . . . . . . 58.9 mtt -81.43 150.76 28.2 Favored 'General case' 0 C--N 1.323 -0.587 0 N-CA-C 110.262 -0.273 . . . . 0.34 110.262 -176.382 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 593' ' ' SER . . . . . 0.404 ' OG ' HG12 ' A' ' 521' ' ' VAL . 18.7 m -94.41 135.45 35.82 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.496 0.665 . . . . 1.37 111.089 -177.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 594' ' ' THR . . . . . 0.576 HG21 HN61 ' B' ' 1' ' ' ADN . 40.2 p -90.25 -9.18 48.92 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-N 114.343 -1.299 . . . . 0.38 112.425 -171.278 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 595' ' ' ARG . . . . . . . . . . . . . 68.2 mtp180 -102.94 -29.07 11.64 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 112.565 0.58 . . . . 2.75 112.565 -171.611 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 596' ' ' TYR . . . . . . . . . . . . . 97.7 m-85 -127.23 157.46 39.74 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.249 0.547 . . . . 0.65 112.051 -172.714 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 597' ' ' LYS . . . . . 0.416 ' C ' HG23 ' A' ' 521' ' ' VAL . 49.9 mtmt -107.89 -21.95 12.64 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.148 -0.933 . . . . 2.18 111.499 176.828 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 598' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -141.84 150.15 41.24 Favored 'General case' 0 C--N 1.33 -0.246 0 C-N-CA 120.262 -0.575 . . . . 0.95 111.61 -177.198 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 599' ' ' LEU . . . . . 0.681 HD21 HG13 ' A' ' 521' ' ' VAL . 63.2 mt -93.29 125.98 38.18 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.252 -0.885 . . . . 0.45 110.963 176.854 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 600' ' ' GLN . . . . . . . . . . . . . 53.2 tt0 -95.01 110.03 21.99 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.083 -0.508 . . . . 1.52 110.249 178.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 601' ' ' LEU . . . . . 0.606 ' HA ' ' O4 ' ' B' ' 5' ' ' ' U' . 81.9 mt -75.23 88.57 2.51 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.973 -0.558 . . . . 0.46 111.214 -178.002 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 602' ' ' LYS . . . . . . . . . . . . . 60.7 mttm -76.44 -15.25 59.97 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.492 -0.776 . . . . 1.73 110.728 176.643 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 603' ' ' LYS . . . . . . . . . . . . . 74.4 mmtt -113.91 154.73 45.91 Favored Pre-proline 0 C--N 1.323 -0.574 0 CA-C-N 116.077 -0.511 . . . . 1.69 110.59 -176.642 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 604' ' ' PRO . . . . . . . . . . . . . 58.1 Cg_endo -71.49 65.05 2.93 Favored 'Trans proline' 0 C--N 1.348 0.501 0 C-N-CA 123.319 2.679 . . . . 1.21 112.756 -178.941 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 605' ' ' GLY . . . . . . . . . . . . . . . -48.66 113.26 1.48 Allowed Glycine 0 N--CA 1.445 -0.706 0 CA-C-N 115.704 -0.68 . . . . 1.23 112.561 177.709 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 606' ' ' LYS . . . . . . . . . . . . . 26.7 mtpp -63.76 167.37 6.02 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 115.233 -0.484 . . . . 3.47 110.925 179.41 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 607' ' ' ASN . . . . . . . . . . . . . 62.3 t30 -62.15 120.52 11.07 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 121.014 0.435 . . . . 1.33 110.627 -178.836 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 608' ' ' VAL . . . . . 0.598 HG11 ' HB ' ' A' ' 547' ' ' VAL . 58.1 t -77.57 -19.48 14.04 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-N 115.901 -0.591 . . . . 0.3 111.32 -173.892 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 609' ' ' ALA . . . . . . . . . . . . . . . -59.74 -35.78 75.26 Favored 'General case' 0 C--O 1.237 0.414 0 CA-C-O 121.179 0.514 . . . . 0.44 111.017 176.552 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 610' ' ' ALA . . . . . . . . . . . . . . . -64.02 -29.12 70.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.976 -0.556 . . . . 0.4 110.507 178.385 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 611' ' ' ILE . . . . . 0.508 ' CD1' HD12 ' A' ' 538' ' ' ILE . 73.1 mt -71.18 -30.93 42.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-N 115.714 -0.676 . . . . 0.25 109.933 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 612' ' ' ILE . . . . . 0.478 HG12 HD13 ' A' ' 542' ' ' LEU . 55.0 mt -61.73 -40.19 85.94 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.22 0 CA-C-O 121.32 0.581 . . . . 0.31 109.596 172.07 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 613' ' ' GLN . . . . . . . . . . . . . 84.1 mt-30 -63.24 -34.81 78.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.504 -0.771 . . . . 2.31 109.705 177.215 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 614' ' ' ASP . . . . . 0.517 ' O ' ' HG2' ' A' ' 618' ' ' GLN . 2.6 m-20 -65.32 -40.55 93.87 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.035 -0.984 . . . . 1.95 110.427 178.097 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 615' ' ' ILE . . . . . 0.478 HD11 ' HA ' ' A' ' 539' ' ' ASN . 73.9 mt -63.15 -35.28 71.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-O 121.022 0.439 . . . . 0.35 110.347 177.114 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 616' ' ' HIS . . . . . . . . . . . . . 63.4 m170 -63.93 -38.96 92.99 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.989 -0.551 . . . . 1.26 110.868 -178.791 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 617' ' ' SER . . . . . . . . . . . . . 1.3 p -75.73 -33.8 60.31 Favored 'General case' 0 N--CA 1.453 -0.288 0 CA-C-O 120.762 0.315 . . . . 1.18 111.226 176.504 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 618' ' ' GLN . . . . . 0.517 ' HG2' ' O ' ' A' ' 614' ' ' ASP . 84.8 mm-40 -70.03 -34.75 73.65 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.157 -0.474 . . . . 4.68 110.844 178.236 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 619' ' ' ARG . . . . . 0.428 ' NE ' ' HA ' ' A' ' 619' ' ' ARG . 3.1 mmp_? 59.8 64.49 1.28 Allowed 'General case' 0 C--O 1.234 0.262 0 CA-C-O 121.287 0.565 . . . . 7.77 110.222 -178.181 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 620' ' ' GLU . . . . . 0.431 ' OE2' ' HD2' ' A' ' 621' ' ' ARG . 8.6 tp10 -75.3 154.99 37.08 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.323 -0.853 . . . . 7.92 110.676 -176.829 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 621' ' ' ARG . . . . . 0.537 ' HD2' ' H ' ' A' ' 621' ' ' ARG . 0.4 OUTLIER . . . . . 0 C--O 1.251 1.165 0 CA-C-O 118.571 -0.728 . . . . 11.0 109.501 -176.822 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 1' ' ' ADN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 2' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.428 -0.78 0 C3'-C2'-C1' 99.373 -2.363 . 0.0 '__' . 2.99 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 3' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.848 0 O4'-C1'-N19 109.04 0.84 . 0.0 OUTLIER . 1.58 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 4' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.802 0 C3'-C2'-C1' 99.442 -2.287 . 0.0 OUTLIER gamma 1.15 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 5' ' ' ' U' . . . . . 0.665 " H4'" ' HA ' ' A' ' 553' ' ' MET . . . . . . . . 0 O5'--C5' 1.426 -0.874 0 O4'-C1'-N19 109.664 1.464 . 0.0 OUTLIER gamma 1.33 . . . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 6' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.424 -1.014 0 P-O3'-C3' 120.603 0.752 . 0.0 OUTLIER . 4.23 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 510' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.725 0 N-CA-C 112.121 -0.392 . . . . 8.88 112.121 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 511' ' ' ALA . . . . . . . . . . . . . . . -67.94 -19.37 64.97 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.771 0.319 . . . . 6.64 111.251 -179.146 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 512' ' ' MET . . . . . . . . . . . . . 26.4 ptt? -81.9 -8.19 59.66 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.365 -0.379 . . . . 6.33 111.179 -179.659 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 513' ' ' ALA . . . . . 0.427 ' O ' ' HB2' ' A' ' 514' ' ' GLN . . . -119.85 117.45 28.18 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.58 -0.282 . . . . 4.2 111.128 -176.522 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 514' ' ' GLN . . . . . 0.427 ' HB2' ' O ' ' A' ' 513' ' ' ALA . 67.8 mm-40 71.45 139.72 0.05 OUTLIER 'General case' 0 N--CA 1.467 0.412 0 O-C-N 123.87 0.731 . . . . 2.88 112.123 178.742 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 515' ' ' ARG . . . . . . . . . . . . . 6.5 mmp_? -79.67 88.94 5.14 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.754 -0.657 . . . . 4.0 109.695 175.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 516' ' ' LYS . . . . . 0.465 ' HZ3' ' HB3' ' A' ' 592' ' ' MET . 18.6 mmtp -126.36 30.61 5.55 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.271 0.558 . . . . 1.89 111.181 -176.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 517' ' ' GLY . . . . . . . . . . . . . . . -107.45 124.91 7.78 Favored Glycine 0 N--CA 1.446 -0.698 0 N-CA-C 110.954 -0.858 . . . . 2.04 110.954 175.64 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 518' ' ' ALA . . . . . . . . . . . . . . . 59.09 55.97 4.16 Favored 'General case' 0 C--O 1.233 0.199 0 CA-C-O 121.466 0.651 . . . . 1.75 110.226 -175.631 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 519' ' ' GLY . . . . . . . . . . . . . . . 137.36 121.6 2.03 Favored Glycine 0 N--CA 1.448 -0.545 0 CA-C-N 115.333 -0.849 . . . . 0.67 111.288 -175.676 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 520' ' ' ARG . . . . . . . . . . . . . 37.9 mtm-85 -139.41 134.21 32.09 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 117.093 0.446 . . . . 2.22 111.137 178.866 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 521' ' ' VAL . . . . . 0.535 HG13 HD21 ' A' ' 599' ' ' LEU . 86.8 t -118.03 123.78 72.15 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 CA-C-N 115.651 -0.704 . . . . 0.32 110.484 167.426 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 522' ' ' VAL . . . . . 0.522 ' HB ' ' O ' ' A' ' 561' ' ' LEU . 21.5 t -120.32 122.97 69.62 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.863 0 N-CA-C 107.725 -1.213 . . . . 0.22 107.725 176.172 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 523' ' ' HIS . . . . . . . . . . . . . 43.5 t-80 -104.92 132.84 50.65 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 121.301 0.572 . . . . 0.44 110.785 -171.873 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 524' ' ' ILE . . . . . 0.458 HG23 HG12 ' A' ' 590' ' ' ILE . 33.1 mt -111.03 139.59 34.21 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.824 0 CA-C-N 115.233 -0.894 . . . . 0.19 108.919 179.119 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 525' ' ' CYS . . . . . 0.417 ' O ' ' HB2' ' A' ' 526' ' ' ASN . 38.4 t -134.12 160.43 37.82 Favored 'General case' 0 C--N 1.314 -0.95 0 CA-C-N 116.656 -0.247 . . . . 1.17 110.594 -177.692 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 526' ' ' ASN . . . . . 0.417 ' HB2' ' O ' ' A' ' 525' ' ' CYS . 84.0 m-20 83.92 29.61 0.07 Allowed 'General case' 0 N--CA 1.468 0.466 0 O-C-N 124.599 1.187 . . . . 0.26 110.613 173.363 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 527' ' ' LEU . . . . . 0.565 ' HB3' ' SG ' ' A' ' 532' ' ' CYS . 80.9 mt -88.01 124.45 66.89 Favored Pre-proline 0 C--N 1.323 -0.585 0 N-CA-C 108.291 -1.003 . . . . 0.25 108.291 174.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 528' ' ' PRO . . . . . 0.441 ' HD3' ' HA ' ' A' ' 527' ' ' LEU . 2.8 Cg_exo -74.44 133.7 17.83 Favored 'Trans proline' 0 N--CA 1.459 -0.523 0 C-N-CA 121.674 1.583 . . . . 0.38 112.145 -178.405 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 529' ' ' GLU . . . . . . . . . . . . . 45.4 tt0 -64.96 130.93 45.18 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.5 -0.555 . . . . 1.6 109.5 176.794 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 530' ' ' GLY . . . . . . . . . . . . . . . 94.48 2.76 63.33 Favored Glycine 0 N--CA 1.447 -0.62 0 C-N-CA 120.497 -0.859 . . . . 0.48 110.965 -173.208 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 531' ' ' SER . . . . . . . . . . . . . 28.5 t -144.46 2.72 1.11 Allowed 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.515 0.674 . . . . 1.08 109.484 -178.15 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 532' ' ' CYS . . . . . 0.565 ' SG ' ' HB3' ' A' ' 527' ' ' LEU . 84.1 m -89.82 87.12 6.84 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 108.915 -0.772 . . . . 0.25 108.915 -178.5 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 533' ' ' THR . . . . . 0.456 ' O ' HG23 ' A' ' 537' ' ' VAL . 26.5 p -101.63 152.38 20.89 Favored 'General case' 0 C--N 1.318 -0.77 0 N-CA-C 108.705 -0.85 . . . . 0.35 108.705 -179.709 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 534' ' ' GLU . . . . . 0.782 ' HA ' HD11 ' A' ' 552' ' ' LEU . 1.7 mp0 -63.74 -34.15 77.24 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 121.329 0.585 . . . . 1.64 109.491 177.673 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 535' ' ' ASN . . . . . . . . . . . . . 8.7 t-20 -63.25 -48.09 79.7 Favored 'General case' 0 N--CA 1.445 -0.69 0 CA-C-N 114.932 -1.031 . . . . 1.82 111.161 -177.247 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 536' ' ' ASP . . . . . . . . . . . . . 34.1 m-20 -69.71 -45.65 67.76 Favored 'General case' 0 N--CA 1.476 0.839 0 CA-C-O 121.536 0.684 . . . . 0.61 111.348 -173.391 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 537' ' ' VAL . . . . . 0.456 HG23 ' O ' ' A' ' 533' ' ' THR . 38.4 t -59.62 -45.67 93.96 Favored 'Isoleucine or valine' 0 C--O 1.242 0.66 0 CA-C-N 114.916 -1.038 . . . . 0.15 109.631 -179.056 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 538' ' ' ILE . . . . . 0.612 HG23 HG21 ' A' ' 547' ' ' VAL . 62.0 mt -67.84 -33.45 61.61 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 CA-C-N 115.25 -0.886 . . . . 0.23 111.23 175.338 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 539' ' ' ASN . . . . . 0.542 ' HA ' HD11 ' A' ' 615' ' ' ILE . 95.2 m-20 -58.02 -28.42 64.44 Favored 'General case' 0 CA--C 1.512 -0.503 0 O-C-N 122.372 -0.205 . . . . 0.25 110.571 178.015 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 540' ' ' LEU . . . . . 0.498 HD11 HD12 ' A' ' 588' ' ' LEU . 93.8 mt -76.32 -41.41 48.59 Favored 'General case' 0 C--N 1.323 -0.575 0 C-N-CA 120.607 -0.437 . . . . 0.27 110.177 174.152 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 541' ' ' GLY . . . . . 0.502 ' CA ' HD21 ' A' ' 561' ' ' LEU . . . -60.96 -51.45 58.52 Favored Glycine 0 CA--C 1.522 0.514 0 N-CA-C 115.443 0.937 . . . . 0.19 115.443 179.839 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 542' ' ' LEU . . . . . 0.552 ' HA ' ' O ' ' A' ' 545' ' ' GLY . 81.8 mt -60.26 -43.74 94.31 Favored Pre-proline 0 CA--C 1.542 0.637 0 N-CA-C 115.038 1.495 . . . . 0.2 115.038 -168.084 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 543' ' ' PRO . . . . . . . . . . . . . 58.6 Cg_exo -58.04 -27.22 78.66 Favored 'Trans proline' 0 C--N 1.35 0.614 0 C-N-CA 122.169 1.913 . . . . 0.23 113.852 -177.906 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 544' ' ' PHE . . . . . 0.653 ' HB2' ' HE1' ' A' ' 572' ' ' MET . 81.8 m-85 -100.64 -16.64 17.36 Favored 'General case' 0 C--N 1.33 -0.242 0 O-C-N 122.043 -0.411 . . . . 0.33 111.109 178.502 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 545' ' ' GLY . . . . . 0.552 ' O ' ' HA ' ' A' ' 542' ' ' LEU . . . 179.3 156.19 16.86 Favored Glycine 0 N--CA 1.449 -0.479 0 C-N-CA 120.541 -0.838 . . . . 0.44 112.486 179.016 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 546' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -67.08 132.03 47.02 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 120.915 0.388 . . . . 2.07 110.815 -178.647 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 547' ' ' VAL . . . . . 0.612 HG21 HG23 ' A' ' 538' ' ' ILE . 70.9 t -87.7 115.28 27.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-N 116.038 -0.528 . . . . 0.2 110.34 178.743 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 548' ' ' THR . . . . . . . . . . . . . 20.6 p -98.33 -33.86 10.9 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.978 -0.556 . . . . 0.31 111.648 178.47 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 549' ' ' ASN . . . . . 0.407 ' HB2' ' CD ' ' A' ' 562' ' ' GLU . 90.3 m-20 -141.84 157.34 45.11 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.18 0.514 . . . . 1.26 110.635 176.189 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 550' ' ' TYR . . . . . 0.434 ' CD1' HD11 ' A' ' 538' ' ' ILE . 3.3 p90 -162.22 151.53 15.75 Favored 'General case' 0 C--N 1.317 -0.832 0 CA-C-N 115.427 -0.806 . . . . 0.31 109.035 179.284 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 551' ' ' ILE . . . . . 0.485 HG23 ' N3 ' ' B' ' 5' ' ' ' U' . 35.9 mt -142.84 122.43 9.25 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 N-CA-C 108.081 -1.081 . . . . 0.22 108.081 179.292 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 552' ' ' LEU . . . . . 0.782 HD11 ' HA ' ' A' ' 534' ' ' GLU . 20.5 mt -110.33 127.29 54.96 Favored 'General case' 0 C--N 1.312 -1.044 0 C-N-CA 119.194 -1.002 . . . . 0.43 110.086 -178.84 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 553' ' ' MET . . . . . 0.665 ' HA ' " H4'" ' B' ' 5' ' ' ' U' . 65.5 mtm -108.84 83.74 1.81 Allowed 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 108.505 -0.924 . . . . 1.03 108.505 178.49 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 554' ' ' LYS . . . . . 0.531 ' HD2' ' HB2' ' A' ' 532' ' ' CYS . 16.1 mmtp -53.25 -29.06 30.7 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 114.997 -1.002 . . . . 1.03 111.938 177.124 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 555' ' ' SER . . . . . . . . . . . . . 67.2 p -70.8 -40.89 72.25 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 120.695 0.283 . . . . 0.51 111.739 -174.818 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 556' ' ' THR . . . . . . . . . . . . . 42.1 p -98.5 3.99 48.25 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 112.064 0.394 . . . . 0.45 112.064 -176.168 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 557' ' ' ASN . . . . . . . . . . . . . 30.1 m-80 58.17 38.43 26.33 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-O 121.392 0.615 . . . . 1.28 110.555 -177.163 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 558' ' ' GLN . . . . . . . . . . . . . 77.8 mt-30 -143.3 164.35 30.48 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.554 -0.748 . . . . 0.84 109.665 -176.516 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 559' ' ' ALA . . . . . . . . . . . . . . . -157.44 166.22 33.59 Favored 'General case' 0 N--CA 1.451 -0.421 0 CA-C-O 121.594 0.711 . . . . 0.16 112.882 -176.255 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 560' ' ' PHE . . . . . . . . . . . . . 97.7 m-85 -120.61 139.18 53.35 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 114.902 -1.044 . . . . 0.35 109.838 175.446 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 561' ' ' LEU . . . . . 0.522 ' O ' ' HB ' ' A' ' 522' ' ' VAL . 45.7 tp -134.33 119.47 18.71 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 120.988 0.423 . . . . 0.2 110.313 -179.724 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 562' ' ' GLU . . . . . 0.788 ' HB2' HD12 ' A' ' 599' ' ' LEU . 34.5 tt0 -100.55 122.57 43.47 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.478 0.656 . . . . 2.09 111.021 -179.327 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 563' ' ' MET . . . . . 0.639 ' HE1' ' HG3' ' A' ' 572' ' ' MET . 0.0 OUTLIER -102.49 157.76 16.69 Favored 'General case' 0 C--N 1.317 -0.821 0 CA-C-N 114.865 -1.061 . . . . 0.39 108.781 177.654 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 564' ' ' ALA . . . . . . . . . . . . . . . -76.91 -16.32 59.42 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 111.869 0.322 . . . . 0.5 111.869 -172.542 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 565' ' ' TYR . . . . . 0.436 ' HB3' ' HG2' ' A' ' 567' ' ' GLU . 77.8 m-85 -141.13 150.06 42.34 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.018 0.437 . . . . 1.15 110.509 178.102 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 566' ' ' THR . . . . . . . . . . . . . 12.2 t -67.91 -26.93 66.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.687 -0.688 . . . . 0.57 110.363 -179.74 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 567' ' ' GLU . . . . . 0.436 ' HG2' ' HB3' ' A' ' 565' ' ' TYR . 10.9 pt-20 -57.04 -32.57 66.33 Favored 'General case' 0 CA--C 1.524 -0.054 0 CA-C-N 115.951 -0.568 . . . . 0.89 110.703 175.39 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 568' ' ' ALA . . . . . 0.759 ' O ' ' HG2' ' A' ' 572' ' ' MET . . . -73.61 -42.38 61.58 Favored 'General case' 0 N--CA 1.449 -0.524 0 CA-C-N 115.678 -0.692 . . . . 0.26 109.852 -179.6 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 569' ' ' ALA . . . . . 0.438 ' O ' HG23 ' A' ' 573' ' ' VAL . . . -63.55 -45.25 91.4 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.771 -0.649 . . . . 0.24 111.526 -175.282 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 570' ' ' GLN . . . . . 0.504 ' O ' ' HG2' ' A' ' 574' ' ' GLN . 3.6 pt20 -68.83 -35.24 76.72 Favored 'General case' 0 C--N 1.328 -0.369 0 C-N-CA 120.657 -0.417 . . . . 1.24 110.365 178.522 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 571' ' ' ALA . . . . . . . . . . . . . . . -61.54 -38.2 86.57 Favored 'General case' 0 N--CA 1.454 -0.262 0 CA-C-N 116.391 -0.368 . . . . 0.31 110.322 177.525 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 572' ' ' MET . . . . . 0.759 ' HG2' ' O ' ' A' ' 568' ' ' ALA . 17.7 mmt -60.08 -49.76 76.39 Favored 'General case' 0 CA--C 1.517 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.47 109.775 176.339 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 573' ' ' VAL . . . . . 0.57 HG22 ' HA ' ' A' ' 591' ' ' ARG . 58.5 t -63.57 -49.28 83.12 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.376 0 CA-C-N 115.506 -0.77 . . . . 0.34 110.193 -175.735 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 574' ' ' GLN . . . . . 0.504 ' HG2' ' O ' ' A' ' 570' ' ' GLN . 84.7 mm-40 -62.26 -37.97 87.5 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.369 -0.378 . . . . 2.09 110.608 -178.027 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 575' ' ' TYR . . . . . . . . . . . . . 62.5 t80 -69.79 -54.44 13.64 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.151 -0.477 . . . . 0.48 111.257 -178.177 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 576' ' ' TYR . . . . . 0.596 ' CE2' HD12 ' A' ' 590' ' ' ILE . 65.3 m-85 -77.94 -14.1 59.65 Favored 'General case' 0 N--CA 1.465 0.295 0 N-CA-C 113.474 0.916 . . . . 0.36 113.474 -173.829 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 577' ' ' GLN . . . . . 0.457 ' HG2' ' O ' ' A' ' 573' ' ' VAL . 13.9 mm100 -67.28 -42.83 83.14 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 109.439 -0.578 . . . . 1.89 109.439 172.125 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 578' ' ' GLU . . . . . . . . . . . . . 31.1 mm-40 -91.5 -38.17 12.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.812 -0.631 . . . . 2.14 111.495 -179.745 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 579' ' ' LYS . . . . . 0.43 ' O ' ' HA ' ' A' ' 576' ' ' TYR . 62.6 mttp -128.16 85.36 60.72 Favored Pre-proline 0 C--N 1.329 -0.301 0 N-CA-C 110.043 -0.355 . . . . 2.46 110.043 177.476 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 580' ' ' PRO . . . . . . . . . . . . . 37.6 Cg_endo -66.11 159.34 50.01 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.375 2.05 . . . . 0.37 112.601 -177.836 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 581' ' ' ALA . . . . . 0.524 ' HB2' ' CE1' ' A' ' 576' ' ' TYR . . . -92.11 134.89 34.43 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 109.632 -0.507 . . . . 0.27 109.632 177.942 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 582' ' ' ILE . . . . . . . . . . . . . 67.8 mt -104.02 120.37 54.13 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.704 0 CA-C-O 120.791 0.329 . . . . 0.51 111.594 -175.214 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 583' ' ' ILE . . . . . 0.461 ' CG1' HD11 ' A' ' 588' ' ' LEU . 28.1 mm -125.56 115.11 42.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 N-CA-C 109.618 -0.512 . . . . 0.51 109.618 173.844 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 584' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 58.47 33.55 23.21 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.286 0.565 . . . . 1.1 110.197 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 585' ' ' GLY . . . . . . . . . . . . . . . 85.57 -0.16 88.18 Favored Glycine 0 N--CA 1.446 -0.666 0 CA-C-N 115.457 -0.792 . . . . 0.44 113.534 178.697 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 586' ' ' GLU . . . . . . . . . . . . . 76.3 mm-40 -101.48 126.79 48.32 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 117.412 0.606 . . . . 1.79 111.262 -179.2 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 587' ' ' LYS . . . . . . . . . . . . . 58.9 mttp -73.98 113.77 11.54 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.446 -0.797 . . . . 1.67 110.595 174.443 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 588' ' ' LEU . . . . . 0.498 HD12 HD11 ' A' ' 540' ' ' LEU . 45.3 mt -75.86 141.03 42.52 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 116.018 -0.537 . . . . 0.24 110.76 -178.596 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 589' ' ' LEU . . . . . 0.445 HD11 ' CZ ' ' A' ' 591' ' ' ARG . 35.5 tp -112.23 111.08 21.71 Favored 'General case' 0 C--N 1.317 -0.84 0 CA-C-N 115.765 -0.652 . . . . 0.38 110.467 -179.937 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 590' ' ' ILE . . . . . 0.596 HD12 ' CE2' ' A' ' 576' ' ' TYR . 17.4 mt -107.21 118.58 55.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 N-CA-C 110.193 -0.299 . . . . 0.26 110.193 175.862 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 591' ' ' ARG . . . . . 0.57 ' HA ' HG22 ' A' ' 573' ' ' VAL . 97.4 mtt180 -145.23 166.45 25.45 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 109.763 -0.458 . . . . 2.62 109.763 -178.405 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 592' ' ' MET . . . . . 0.465 ' HB3' ' HZ3' ' A' ' 516' ' ' LYS . 39.5 mtt -76.92 151.24 35.84 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 120.717 0.294 . . . . 0.34 110.639 -177.0 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 593' ' ' SER . . . . . . . . . . . . . 45.3 t -87.14 134.86 33.47 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.264 0.554 . . . . 1.37 110.872 -179.616 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 594' ' ' THR . . . . . . . . . . . . . 19.3 p -90.83 -16.27 28.56 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 114.932 -1.031 . . . . 0.38 110.927 177.28 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 595' ' ' ARG . . . . . . . . . . . . . 98.2 mtt180 -102.9 -28.61 11.94 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 112.697 0.629 . . . . 2.75 112.697 -169.118 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 596' ' ' TYR . . . . . . . . . . . . . 96.9 m-85 -127.82 144.02 51.1 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.79 0.328 . . . . 0.65 111.778 -176.738 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 597' ' ' LYS . . . . . 0.41 ' N ' ' HD2' ' A' ' 597' ' ' LYS . 9.0 mptt -109.05 -9.95 15.04 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.065 -0.516 . . . . 2.18 111.552 175.604 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 598' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -143.84 149.51 37.08 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 120.488 -0.485 . . . . 0.95 110.808 -178.466 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 599' ' ' LEU . . . . . 0.788 HD12 ' HB2' ' A' ' 562' ' ' GLU . 33.3 mt -101.02 123.03 44.58 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.789 -0.641 . . . . 0.45 111.45 176.289 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 600' ' ' GLN . . . . . . . . . . . . . 50.3 tt0 -102.56 110.65 22.66 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.58 -0.736 . . . . 1.52 109.813 176.044 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 601' ' ' LEU . . . . . . . . . . . . . 29.7 mt -77.53 104.33 7.99 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.528 -0.306 . . . . 0.46 111.36 -178.336 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 602' ' ' LYS . . . . . . . . . . . . . 33.8 mtmt -82.57 -20.06 37.27 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 109.409 -0.589 . . . . 1.73 109.409 172.079 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 603' ' ' LYS . . . . . . . . . . . . . 34.4 mmtp -116.27 145.15 34.41 Favored Pre-proline 0 C--N 1.326 -0.441 0 CA-C-N 115.357 -0.838 . . . . 1.69 110.049 -178.694 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 604' ' ' PRO . . . . . . . . . . . . . 19.8 Cg_endo -62.16 150.57 86.26 Favored 'Trans proline' 0 C--N 1.342 0.232 0 C-N-CA 122.897 2.398 . . . . 1.21 112.267 178.755 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 605' ' ' GLY . . . . . . . . . . . . . . . -110.44 -47.19 0.81 Allowed Glycine 0 N--CA 1.445 -0.757 0 CA-C-N 115.575 -0.739 . . . . 1.23 112.04 -176.856 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 606' ' ' LYS . . . . . . . . . . . . . 27.3 mtmm 76.29 -176.13 0.12 Allowed 'General case' 0 N--CA 1.469 0.48 0 CA-C-N 114.835 -0.682 . . . . 3.47 109.502 -177.308 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 607' ' ' ASN . . . . . . . . . . . . . 47.0 t30 -62.28 121.23 12.63 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.026 0.441 . . . . 1.33 111.425 178.169 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 608' ' ' VAL . . . . . 0.533 HG11 ' HB ' ' A' ' 547' ' ' VAL . 56.6 t -95.36 -22.48 5.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 115.849 -0.614 . . . . 0.3 110.359 178.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 609' ' ' ALA . . . . . . . . . . . . . . . -58.35 -29.07 65.68 Favored 'General case' 0 C--O 1.236 0.394 0 CA-C-O 121.381 0.61 . . . . 0.44 111.229 176.641 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 610' ' ' ALA . . . . . . . . . . . . . . . -64.16 -28.2 69.59 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.968 -0.56 . . . . 0.4 110.192 177.351 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 611' ' ' ILE . . . . . 0.441 ' O ' HG13 ' A' ' 615' ' ' ILE . 74.6 mt -71.37 -29.71 36.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 115.72 -0.673 . . . . 0.25 109.894 177.856 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 612' ' ' ILE . . . . . 0.469 ' CG1' HD13 ' A' ' 542' ' ' LEU . 79.1 mt -60.82 -44.3 97.31 Favored 'Isoleucine or valine' 0 C--O 1.234 0.273 0 CA-C-O 121.284 0.564 . . . . 0.31 109.681 173.538 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 613' ' ' GLN . . . . . . . . . . . . . 74.5 mt-30 -65.67 -31.23 72.13 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.562 -0.744 . . . . 2.31 110.186 177.48 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 614' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -65.8 -44.36 85.91 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.249 -0.887 . . . . 1.95 109.824 178.013 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 615' ' ' ILE . . . . . 0.542 HD11 ' HA ' ' A' ' 539' ' ' ASN . 85.9 mt -59.43 -46.14 92.99 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-N 115.739 -0.664 . . . . 0.35 110.488 176.878 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 616' ' ' HIS . . . . . . . . . . . . . 44.9 m80 -64.01 -27.85 69.4 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.267 -0.424 . . . . 1.26 111.569 -179.565 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 617' ' ' SER . . . . . . . . . . . . . 45.9 m -73.62 -35.71 65.36 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 120.917 0.389 . . . . 1.18 110.633 178.196 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 618' ' ' GLN . . . . . . . . . . . . . 51.1 mt-30 -83.93 -33.81 24.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.148 -0.478 . . . . 4.68 111.027 179.521 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 619' ' ' ARG . . . . . . . . . . . . . 60.7 mtt180 62.93 63.49 0.95 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 121.399 0.619 . . . . 7.77 109.711 -175.478 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 620' ' ' GLU . . . . . . . . . . . . . 21.1 mm-40 -88.64 68.15 8.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.458 -0.792 . . . . 7.92 111.64 -174.158 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 621' ' ' ARG . . . . . . . . . . . . . 66.9 ttt180 . . . . . 0 C--O 1.25 1.128 0 O-C-N 123.71 0.631 . . . . 11.0 111.592 174.607 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 1' ' ' ADN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 2' ' ' ' U' . . . . . 0.503 ' C2 ' ' SG ' ' A' ' 525' ' ' CYS . . . . . . . . 0 O5'--C5' 1.423 -1.049 0 C3'-C2'-C1' 99.593 -2.118 . 0.0 '__' . 2.99 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 3' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.801 0 C3'-C2'-C1' 100.54 -1.067 . 0.0 OUTLIER '7D dist 2[' 1.58 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 4' ' ' ' U' . . . . . 0.498 ' O2 ' ' HD3' ' A' ' 602' ' ' LYS . . . . . . . . 0 O5'--C5' 1.427 -0.83 0 C3'-C2'-C1' 100.263 -1.375 . 0.0 OUTLIER gamma 1.15 . . . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 5' ' ' ' U' . . . . . 0.631 ' N3 ' HG23 ' A' ' 551' ' ' ILE . . . . . . . . 0 O5'--C5' 1.424 -0.987 0 C3'-C2'-C1' 99.342 -2.397 . 0.529 4b . 1.33 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 6' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.911 0 C3'-C2'-C1' 100.236 -1.405 . 0.0 OUTLIER . 4.23 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 510' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.743 0 N-CA-C 111.83 -0.508 . . . . 8.88 111.83 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 511' ' ' ALA . . . . . . . . . . . . . . . -82.72 57.61 3.87 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.386 0.612 . . . . 6.64 110.675 -179.577 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 512' ' ' MET . . . . . . . . . . . . . 50.3 ttm -168.38 142.88 3.37 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.338 -0.846 . . . . 6.33 108.938 -179.773 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 513' ' ' ALA . . . . . . . . . . . . . . . 55.9 57.86 4.85 Favored 'General case' 0 C--O 1.232 0.177 0 CA-C-O 121.252 0.548 . . . . 4.2 110.037 -176.722 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 514' ' ' GLN . . . . . 0.502 ' NE2' HG22 ' A' ' 594' ' ' THR . 26.3 mp0 -64.93 133.27 51.44 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.365 -0.834 . . . . 2.88 110.908 -176.655 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 515' ' ' ARG . . . . . 0.462 ' O ' ' HD3' ' A' ' 516' ' ' LYS . 17.7 mtp180 -72.65 120.41 18.23 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.179 -0.464 . . . . 4.0 110.445 177.609 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 516' ' ' LYS . . . . . 0.462 ' HD3' ' O ' ' A' ' 515' ' ' ARG . 66.8 mmtt -127.03 44.28 2.94 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.082 0.468 . . . . 1.89 109.947 179.032 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 517' ' ' GLY . . . . . . . . . . . . . . . -88.01 -68.7 1.29 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.866 -0.683 . . . . 2.04 112.233 -179.324 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 518' ' ' ALA . . . . . . . . . . . . . . . -93.86 59.33 2.76 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.387 0.613 . . . . 1.75 110.045 177.607 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 519' ' ' GLY . . . . . . . . . . . . . . . 134.45 130.67 3.02 Favored Glycine 0 N--CA 1.444 -0.793 0 N-CA-C 111.075 -0.81 . . . . 0.67 111.075 -175.018 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 520' ' ' ARG . . . . . 0.545 ' NH2' ' HB2' ' A' ' 563' ' ' MET . 20.0 mtm105 -132.95 136.59 46.19 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 117.381 0.591 . . . . 2.22 110.851 175.445 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 521' ' ' VAL . . . . . 0.772 HG13 HD21 ' A' ' 599' ' ' LEU . 99.7 t -116.39 122.75 70.44 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 CA-C-N 115.789 -0.641 . . . . 0.32 110.738 172.043 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 522' ' ' VAL . . . . . 0.56 ' HB ' ' O ' ' A' ' 561' ' ' LEU . 28.8 t -118.93 121.09 65.98 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.749 0 N-CA-C 107.216 -1.402 . . . . 0.22 107.216 172.639 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 523' ' ' HIS . . . . . 0.417 ' CE1' ' HB3' ' A' ' 558' ' ' GLN . 81.8 t60 -106.37 132.72 52.07 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-O 121.178 0.513 . . . . 0.44 110.572 -171.902 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 524' ' ' ILE . . . . . 0.466 HG23 HG12 ' A' ' 590' ' ' ILE . 37.3 mt -111.19 139.33 35.65 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.915 0 N-CA-C 108.63 -0.878 . . . . 0.19 108.63 178.079 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 525' ' ' CYS . . . . . 0.51 ' SG ' ' HG2' ' A' ' 558' ' ' GLN . 46.8 t -134.41 162.03 33.36 Favored 'General case' 0 C--N 1.313 -1.007 0 C-N-CA 120.907 -0.317 . . . . 1.17 110.771 -176.475 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 526' ' ' ASN . . . . . 0.461 ' HB2' ' O ' ' A' ' 525' ' ' CYS . 88.1 m-20 85.91 28.19 0.05 OUTLIER 'General case' 0 N--CA 1.467 0.405 0 O-C-N 124.587 1.179 . . . . 0.26 110.586 172.587 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 527' ' ' LEU . . . . . . . . . . . . . 81.3 mt -89.43 123.88 65.77 Favored Pre-proline 0 C--N 1.323 -0.586 0 N-CA-C 108.621 -0.881 . . . . 0.25 108.621 177.201 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 528' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -73.19 134.14 20.62 Favored 'Trans proline' 0 N--CA 1.454 -0.8 0 C-N-CA 121.321 1.348 . . . . 0.38 111.934 -176.917 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 529' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -64.25 131.01 46.11 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 109.441 -0.577 . . . . 1.6 109.441 175.131 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 530' ' ' GLY . . . . . . . . . . . . . . . 92.87 3.62 65.84 Favored Glycine 0 N--CA 1.445 -0.747 0 N-CA-C 110.473 -1.051 . . . . 0.48 110.473 -171.873 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 531' ' ' SER . . . . . . . . . . . . . 49.3 m -148.9 7.33 0.72 Allowed 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.188 -0.506 . . . . 1.08 110.305 -177.112 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 532' ' ' CYS . . . . . 0.448 ' HB2' ' HG3' ' A' ' 554' ' ' LYS . 63.2 m -90.77 82.93 5.69 Favored 'General case' 0 CA--C 1.512 -0.498 0 N-CA-C 108.896 -0.779 . . . . 0.25 108.896 178.492 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 533' ' ' THR . . . . . 0.432 ' O ' HG23 ' A' ' 537' ' ' VAL . 27.9 p -96.75 151.81 19.28 Favored 'General case' 0 N--CA 1.442 -0.847 0 N-CA-C 108.7 -0.852 . . . . 0.35 108.7 -178.479 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 534' ' ' GLU . . . . . 0.504 ' HA ' HD11 ' A' ' 552' ' ' LEU . 45.7 mt-10 -65.97 -34.41 78.05 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-O 121.607 0.718 . . . . 1.64 109.181 177.437 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 535' ' ' ASN . . . . . . . . . . . . . 7.0 t-20 -65.05 -48.71 72.86 Favored 'General case' 0 N--CA 1.445 -0.702 0 CA-C-N 114.531 -1.213 . . . . 1.82 111.347 -175.728 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 536' ' ' ASP . . . . . . . . . . . . . 28.6 m-20 -69.53 -43.98 71.9 Favored 'General case' 0 N--CA 1.476 0.834 0 CA-C-O 121.399 0.619 . . . . 0.61 111.341 -173.574 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 537' ' ' VAL . . . . . 0.432 HG23 ' O ' ' A' ' 533' ' ' THR . 49.8 t -59.69 -46.93 92.88 Favored 'Isoleucine or valine' 0 C--O 1.24 0.604 0 CA-C-N 115.088 -0.96 . . . . 0.15 110.043 -179.26 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 538' ' ' ILE . . . . . 0.527 HD11 ' CG ' ' A' ' 550' ' ' TYR . 51.6 mt -68.11 -33.0 58.44 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.8 0 CA-C-N 115.274 -0.875 . . . . 0.23 111.301 175.384 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 539' ' ' ASN . . . . . 0.638 ' HA ' HD11 ' A' ' 615' ' ' ILE . 96.3 m-20 -57.81 -26.64 62.24 Favored 'General case' 0 N--CA 1.466 0.365 0 C-N-CA 121.023 -0.271 . . . . 0.25 110.508 176.223 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 540' ' ' LEU . . . . . 0.502 HD11 HD12 ' A' ' 588' ' ' LEU . 84.5 mt -75.97 -42.79 47.31 Favored 'General case' 0 C--N 1.323 -0.585 0 C-N-CA 120.453 -0.499 . . . . 0.27 110.013 173.568 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 541' ' ' GLY . . . . . . . . . . . . . . . -65.17 -50.8 55.12 Favored Glycine 0 CA--C 1.526 0.749 0 N-CA-C 115.834 1.094 . . . . 0.19 115.834 -178.053 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 542' ' ' LEU . . . . . 0.595 ' HB2' ' CD1' ' A' ' 615' ' ' ILE . 59.2 mt -63.22 -40.91 65.2 Favored Pre-proline 0 C--N 1.32 -0.687 0 N-CA-C 115.398 1.629 . . . . 0.2 115.398 -168.137 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 543' ' ' PRO . . . . . 0.549 ' HG3' HG21 ' A' ' 615' ' ' ILE . 40.7 Cg_exo -63.4 -26.15 70.88 Favored 'Trans proline' 0 CA--C 1.531 0.334 0 C-N-CA 121.518 1.479 . . . . 0.23 113.33 -178.879 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 544' ' ' PHE . . . . . 0.481 ' HB2' ' HE2' ' A' ' 572' ' ' MET . 87.5 m-85 -101.28 -15.83 17.15 Favored 'General case' 0 C--N 1.331 -0.201 0 C-N-CA 120.667 -0.413 . . . . 0.33 111.643 178.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 545' ' ' GLY . . . . . 0.551 ' O ' ' HA ' ' A' ' 542' ' ' LEU . . . -170.24 179.94 42.13 Favored Glycine 0 C--O 1.224 -0.494 0 C-N-CA 120.342 -0.933 . . . . 0.44 112.357 -176.242 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 546' ' ' LYS . . . . . 0.436 ' HB3' ' HB2' ' A' ' 564' ' ' ALA . 24.0 ttmm -94.82 122.43 37.44 Favored 'General case' 0 C--N 1.318 -0.783 0 N-CA-C 109.525 -0.546 . . . . 2.07 109.525 -178.034 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 547' ' ' VAL . . . . . 0.602 ' HB ' HG11 ' A' ' 608' ' ' VAL . 81.1 t -88.75 114.94 27.83 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-O 121.001 0.429 . . . . 0.2 110.757 177.62 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 548' ' ' THR . . . . . . . . . . . . . 23.8 p -101.34 -35.53 9.2 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.095 -0.502 . . . . 0.31 112.046 176.952 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 549' ' ' ASN . . . . . 0.438 ' HB2' ' HB3' ' A' ' 562' ' ' GLU . 6.4 m-20 -140.37 152.01 45.43 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.016 0.436 . . . . 1.26 109.956 -178.645 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 550' ' ' TYR . . . . . 0.527 ' CG ' HD11 ' A' ' 538' ' ' ILE . 7.3 p90 -161.13 151.11 17.31 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.685 -0.689 . . . . 0.31 109.684 -177.439 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 551' ' ' ILE . . . . . 0.631 HG23 ' N3 ' ' B' ' 5' ' ' ' U' . 64.5 mt -144.0 126.47 11.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 N-CA-C 108.346 -0.983 . . . . 0.22 108.346 -175.49 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 552' ' ' LEU . . . . . 0.504 HD11 ' HA ' ' A' ' 534' ' ' GLU . 21.9 mt -107.13 119.88 40.59 Favored 'General case' 0 C--N 1.313 -0.987 0 C-N-CA 120.243 -0.583 . . . . 0.43 111.094 -177.231 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 553' ' ' MET . . . . . 0.615 ' HA ' " H4'" ' B' ' 5' ' ' ' U' . 68.0 mtm -109.31 81.19 1.4 Allowed 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.911 0.862 . . . . 1.03 109.511 179.774 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 554' ' ' LYS . . . . . 0.509 ' CD ' ' H ' ' A' ' 554' ' ' LYS . 0.2 OUTLIER -53.56 -27.99 29.3 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 114.174 -1.376 . . . . 1.03 112.692 173.15 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 555' ' ' SER . . . . . . . . . . . . . 61.2 p -69.39 -44.24 71.88 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 120.848 0.356 . . . . 0.51 111.113 -174.617 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 556' ' ' THR . . . . . 0.405 ' O ' ' HG3' ' A' ' 558' ' ' GLN . 40.6 p -99.2 4.56 46.76 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 112.422 0.527 . . . . 0.45 112.422 -177.887 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 557' ' ' ASN . . . . . . . . . . . . . 40.0 m-80 59.69 39.84 20.58 Favored 'General case' 0 N--CA 1.468 0.453 0 CA-C-O 121.769 0.795 . . . . 1.28 110.145 -176.581 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 558' ' ' GLN . . . . . 0.51 ' HG2' ' SG ' ' A' ' 525' ' ' CYS . 75.2 mt-30 -139.82 167.74 21.42 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 114.844 -1.071 . . . . 0.84 109.705 -175.528 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 559' ' ' ALA . . . . . . . . . . . . . . . -158.34 166.66 31.73 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.061 0.457 . . . . 0.16 111.783 -179.56 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 560' ' ' PHE . . . . . 0.514 ' HB2' ' HB ' ' A' ' 551' ' ' ILE . 76.7 m-85 -119.15 147.0 44.67 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.916 -0.584 . . . . 0.35 110.785 177.527 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 561' ' ' LEU . . . . . 0.56 ' O ' ' HB ' ' A' ' 522' ' ' VAL . 51.8 tp -138.49 119.59 14.51 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.72 -0.673 . . . . 0.2 110.547 -178.929 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 562' ' ' GLU . . . . . 0.438 ' HB3' ' HB2' ' A' ' 549' ' ' ASN . 43.5 tt0 -99.99 122.67 43.25 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.359 0.599 . . . . 2.09 110.324 176.271 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 563' ' ' MET . . . . . 0.545 ' HB2' ' NH2' ' A' ' 520' ' ' ARG . 18.9 mtt -110.74 147.59 34.11 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.184 -0.916 . . . . 0.39 108.827 -178.836 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 564' ' ' ALA . . . . . 0.436 ' HB2' ' HB3' ' A' ' 546' ' ' LYS . . . -58.66 -44.85 90.27 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 118.049 0.386 . . . . 0.5 111.626 -168.772 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 565' ' ' TYR . . . . . 0.437 ' HB2' ' HG2' ' A' ' 567' ' ' GLU . 85.5 m-85 -121.97 155.01 36.43 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.314 0.578 . . . . 1.15 111.12 -178.421 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 566' ' ' THR . . . . . 0.507 ' HA ' ' NH1' ' A' ' 520' ' ' ARG . 9.7 t -65.22 -27.37 68.62 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.175 -0.921 . . . . 0.57 110.574 -179.403 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 567' ' ' GLU . . . . . 0.437 ' HG2' ' HB2' ' A' ' 565' ' ' TYR . 10.3 pt-20 -57.32 -31.3 65.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.477 -0.783 . . . . 0.89 111.23 176.877 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 568' ' ' ALA . . . . . 0.651 ' O ' ' HG3' ' A' ' 572' ' ' MET . . . -72.55 -44.0 62.71 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.308 -0.405 . . . . 0.26 110.435 -177.965 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 569' ' ' ALA . . . . . 0.485 ' HA ' ' SD ' ' A' ' 563' ' ' MET . . . -63.14 -44.27 96.0 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.161 -0.472 . . . . 0.24 111.451 -176.407 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 570' ' ' GLN . . . . . . . . . . . . . 12.9 pt20 -64.94 -40.33 94.86 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.455 -0.338 . . . . 1.24 110.406 -178.547 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 571' ' ' ALA . . . . . . . . . . . . . . . -65.46 -43.4 90.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.113 -0.494 . . . . 0.31 111.116 -178.412 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 572' ' ' MET . . . . . 0.651 ' HG3' ' O ' ' A' ' 568' ' ' ALA . 26.9 mtt -66.32 -47.69 72.72 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.362 -0.381 . . . . 0.47 110.737 -179.37 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 573' ' ' VAL . . . . . 0.641 ' O ' ' HG2' ' A' ' 577' ' ' GLN . 86.7 t -58.43 -46.84 89.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 C-N-CA 121.03 -0.268 . . . . 0.34 110.413 -178.745 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 574' ' ' GLN . . . . . . . . . . . . . 98.4 mt-30 -61.42 -37.13 82.39 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.779 0.323 . . . . 2.09 110.947 178.667 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 575' ' ' TYR . . . . . . . . . . . . . 84.2 t80 -67.08 -51.78 50.15 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.292 -0.413 . . . . 0.48 110.036 179.882 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 576' ' ' TYR . . . . . 0.594 ' HA ' ' O ' ' A' ' 579' ' ' LYS . 65.6 m-85 -72.38 -13.52 61.49 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 112.709 0.633 . . . . 0.36 112.709 -178.08 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 577' ' ' GLN . . . . . 0.641 ' HG2' ' O ' ' A' ' 573' ' ' VAL . 26.5 mm-40 -67.74 -42.97 81.01 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.093 0.473 . . . . 1.89 109.826 170.468 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 578' ' ' GLU . . . . . . . . . . . . . 12.0 mm-40 -85.85 -38.45 18.1 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.843 -0.617 . . . . 2.14 111.3 178.125 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 579' ' ' LYS . . . . . 0.594 ' O ' ' HA ' ' A' ' 576' ' ' TYR . 24.7 mtpp -135.47 93.97 15.83 Favored Pre-proline 0 C--N 1.327 -0.412 0 CA-C-N 116.746 -0.206 . . . . 2.46 110.576 176.236 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 580' ' ' PRO . . . . . . . . . . . . . 43.4 Cg_endo -67.76 161.72 42.59 Favored 'Trans proline' 0 N--CA 1.461 -0.415 0 C-N-CA 122.23 1.953 . . . . 0.37 111.072 174.928 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 581' ' ' ALA . . . . . 0.458 ' O ' ' HG ' ' A' ' 588' ' ' LEU . . . -90.03 136.18 33.2 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 109.828 -0.434 . . . . 0.27 109.828 -175.859 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 582' ' ' ILE . . . . . . . . . . . . . 30.7 mt -101.26 118.57 48.2 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.77 0 CA-C-N 116.322 -0.399 . . . . 0.51 111.717 -172.784 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 583' ' ' ILE . . . . . 0.405 ' CG1' HD11 ' A' ' 588' ' ' LEU . 29.4 mm -126.75 114.46 37.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 N-CA-C 109.31 -0.626 . . . . 0.51 109.31 174.332 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 584' ' ' ASN . . . . . . . . . . . . . 79.0 m-20 59.66 32.45 21.5 Favored 'General case' 0 N--CA 1.467 0.413 0 CA-C-O 121.217 0.532 . . . . 1.1 110.065 -175.9 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 585' ' ' GLY . . . . . . . . . . . . . . . 76.98 7.77 86.68 Favored Glycine 0 N--CA 1.448 -0.545 0 CA-C-N 115.759 -0.655 . . . . 0.44 112.812 -179.539 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 586' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -105.45 127.41 52.98 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.882 0.372 . . . . 1.79 110.465 179.379 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 587' ' ' LYS . . . . . . . . . . . . . 44.2 mmtm -75.53 127.16 32.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.889 -0.596 . . . . 1.67 111.6 -178.249 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 588' ' ' LEU . . . . . 0.502 HD12 HD11 ' A' ' 540' ' ' LEU . 43.7 mt -89.17 138.19 31.65 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.029 -0.532 . . . . 0.24 110.586 178.691 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 589' ' ' LEU . . . . . . . . . . . . . 51.1 tp -113.9 114.8 26.73 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.281 -0.418 . . . . 0.38 111.076 -179.011 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 590' ' ' ILE . . . . . 0.489 HD12 ' CE2' ' A' ' 576' ' ' TYR . 22.8 mt -102.35 129.98 52.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 N-CA-C 110.198 -0.297 . . . . 0.26 110.198 176.014 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 591' ' ' ARG . . . . . . . . . . . . . 60.0 mtp180 -145.47 163.51 34.46 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.385 -0.371 . . . . 2.62 110.393 -178.077 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 592' ' ' MET . . . . . . . . . . . . . 61.1 mtt -82.72 143.94 30.56 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 109.429 -0.582 . . . . 0.34 109.429 174.196 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 593' ' ' SER . . . . . . . . . . . . . 43.1 t -85.69 130.97 34.43 Favored 'General case' 0 C--O 1.237 0.441 0 CA-C-O 121.541 0.686 . . . . 1.37 111.815 -175.428 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 594' ' ' THR . . . . . 0.502 HG22 ' NE2' ' A' ' 514' ' ' GLN . 19.2 p -89.68 -11.73 41.59 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 114.384 -1.28 . . . . 0.38 110.908 177.458 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 595' ' ' ARG . . . . . . . . . . . . . 62.4 mtp180 -101.02 -29.9 11.92 Favored 'General case' 0 C--N 1.331 -0.201 0 N-CA-C 112.911 0.708 . . . . 2.75 112.911 -171.025 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 596' ' ' TYR . . . . . . . . . . . . . 62.5 m-85 -127.7 152.3 47.9 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 112.69 0.626 . . . . 0.65 112.69 -174.908 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 597' ' ' LYS . . . . . . . . . . . . . 97.2 mttt -108.54 -19.99 13.25 Favored 'General case' 0 C--O 1.222 -0.39 0 CA-C-N 115.144 -0.934 . . . . 2.18 112.173 -179.356 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 598' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -142.05 151.36 42.33 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.295 0.569 . . . . 0.95 111.592 -175.324 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 599' ' ' LEU . . . . . 0.772 HD21 HG13 ' A' ' 521' ' ' VAL . 93.0 mt -117.1 120.84 39.57 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 114.992 -1.003 . . . . 0.45 110.41 177.692 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 600' ' ' GLN . . . . . . . . . . . . . 20.4 pt20 -113.61 137.97 50.84 Favored 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 109.906 -0.405 . . . . 1.52 109.906 179.002 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 601' ' ' LEU . . . . . . . . . . . . . 82.2 mt -87.13 91.86 8.86 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 121.27 0.557 . . . . 0.46 111.238 -177.491 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 602' ' ' LYS . . . . . 0.498 ' HD3' ' O2 ' ' B' ' 4' ' ' ' U' . 56.9 mtpt -77.67 -13.6 59.86 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.477 -0.783 . . . . 1.73 110.588 177.248 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 603' ' ' LYS . . . . . . . . . . . . . 34.5 mmtp -122.45 141.74 35.56 Favored Pre-proline 0 C--N 1.324 -0.529 0 CA-C-N 115.743 -0.662 . . . . 1.69 109.621 177.83 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 604' ' ' PRO . . . . . . . . . . . . . 39.5 Cg_endo -67.4 149.41 80.56 Favored 'Trans proline' 0 C--O 1.233 0.27 0 C-N-CA 122.483 2.122 . . . . 1.21 111.574 177.225 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 605' ' ' GLY . . . . . . . . . . . . . . . -132.89 179.01 17.7 Favored Glycine 0 N--CA 1.439 -1.108 0 C-N-CA 120.651 -0.785 . . . . 1.23 112.097 -177.657 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 606' ' ' LYS . . . . . . . . . . . . . 36.8 mmtm -91.21 156.51 17.79 Favored 'General case' 0 C--N 1.315 -0.933 0 N-CA-C 108.987 -0.745 . . . . 3.47 108.987 179.07 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 607' ' ' ASN . . . . . . . . . . . . . 26.3 t-20 -62.37 122.08 14.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.952 0.406 . . . . 1.33 110.387 175.487 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 608' ' ' VAL . . . . . 0.602 HG11 ' HB ' ' A' ' 547' ' ' VAL . 43.7 t -76.74 -26.31 16.3 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 115.833 -0.621 . . . . 0.3 112.365 -171.687 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 609' ' ' ALA . . . . . . . . . . . . . . . -60.82 -36.48 79.19 Favored 'General case' 0 C--O 1.239 0.512 0 CA-C-O 121.631 0.729 . . . . 0.44 110.635 177.432 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 610' ' ' ALA . . . . . . . . . . . . . . . -65.51 -28.59 69.3 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.436 -0.802 . . . . 0.4 110.367 177.229 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 611' ' ' ILE . . . . . 0.429 ' CD1' HD12 ' A' ' 538' ' ' ILE . 72.3 mt -71.21 -29.83 37.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 115.849 -0.614 . . . . 0.25 109.716 178.273 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 612' ' ' ILE . . . . . 0.449 ' CG1' HD13 ' A' ' 542' ' ' LEU . 61.8 mt -60.72 -44.65 97.69 Favored 'Isoleucine or valine' 0 C--O 1.234 0.279 0 N-CA-C 109.529 -0.545 . . . . 0.31 109.529 173.819 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 613' ' ' GLN . . . . . 0.432 ' HA ' ' OE1' ' A' ' 613' ' ' GLN . 14.3 mm-40 -66.04 -29.72 70.13 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.517 -0.765 . . . . 2.31 110.407 178.241 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 614' ' ' ASP . . . . . 0.4 ' HB3' ' O ' ' A' ' 611' ' ' ILE . 21.1 t70 -65.94 -45.32 82.27 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.156 -0.929 . . . . 1.95 110.502 176.756 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 615' ' ' ILE . . . . . 0.638 HD11 ' HA ' ' A' ' 539' ' ' ASN . 85.3 mt -65.29 -41.76 92.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 120.976 0.417 . . . . 0.35 110.863 179.172 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 616' ' ' HIS . . . . . . . . . . . . . 42.6 m80 -67.38 -26.83 66.65 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.9 -0.591 . . . . 1.26 110.917 178.752 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 617' ' ' SER . . . . . 0.432 ' O ' ' HB2' ' A' ' 618' ' ' GLN . 12.7 t -66.15 -24.5 66.67 Favored 'General case' 0 N--CA 1.454 -0.259 0 N-CA-C 109.167 -0.679 . . . . 1.18 109.167 172.227 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 618' ' ' GLN . . . . . 0.432 ' HB2' ' O ' ' A' ' 617' ' ' SER . 69.1 mt-30 82.7 104.88 0.06 Allowed 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 114.544 -1.207 . . . . 4.68 111.784 173.104 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 619' ' ' ARG . . . . . . . . . . . . . 22.1 mmm180 -96.67 30.55 2.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.011 -0.995 . . . . 7.77 110.462 -178.387 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 620' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -130.9 105.86 8.04 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 116.059 -0.519 . . . . 7.92 109.982 -179.88 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 621' ' ' ARG . . . . . . . . . . . . . 73.0 mtt180 . . . . . 0 C--O 1.249 1.057 0 CA-C-O 118.452 -0.785 . . . . 11.0 110.343 -177.244 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 1' ' ' ADN . . . . . 0.459 " H2'" ' C6 ' ' B' ' 2' ' ' ' U' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 2' ' ' ' U' . . . . . 0.459 ' C6 ' " H2'" ' B' ' 1' ' ' ADN . . . . . . . . 0 O5'--C5' 1.425 -0.931 0 C3'-C2'-C1' 99.213 -2.541 . 0.0 '__' . 2.99 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 3' ' ' ' C' . . . . . 0.579 ' C2 ' ' HB3' ' A' ' 593' ' ' SER . . . . . . . . 0 O5'--C5' 1.427 -0.818 0 P-O3'-C3' 121.188 1.24 . 0.0 OUTLIER . 1.58 . . . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 4' ' ' ' U' . . . . . 0.478 ' O4 ' ' HA ' ' A' ' 599' ' ' LEU . . . . . . . . 0 O5'--C5' 1.428 -0.757 0 C4'-C3'-C2' 104.49 1.79 . 0.0 OUTLIER gamma 1.15 . . . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 5' ' ' ' U' . . . . . 0.575 ' N3 ' HG23 ' A' ' 551' ' ' ILE . . . . . . . . 0 O5'--C5' 1.422 -1.099 0 C4'-C3'-C2' 103.485 0.785 . 0.0 OUTLIER gamma 1.33 . . . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 6' ' ' ' A' . . . . . 0.41 ' OP1' ' HB2' ' A' ' 554' ' ' LYS . . . . . . . . 0 O5'--C5' 1.424 -1.022 0 C3'-C2'-C1' 100.39 -1.234 . 0.0 OUTLIER . 4.23 . . . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 510' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 1.463 0 N-CA-C 112.269 -0.333 . . . . 8.88 112.269 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 511' ' ' ALA . . . . . . . . . . . . . . . -103.65 161.64 13.74 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 110.513 -0.18 . . . . 6.64 110.513 179.63 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 512' ' ' MET . . . . . . . . . . . . . 24.9 ttt -150.11 153.6 36.66 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 110.005 -0.369 . . . . 6.33 110.005 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 513' ' ' ALA . . . . . . . . . . . . . . . -78.4 78.69 4.86 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.893 0.378 . . . . 4.2 110.242 177.121 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 514' ' ' GLN . . . . . . . . . . . . . 15.1 mm100 -64.13 136.99 57.74 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.618 -0.719 . . . . 2.88 111.227 -177.268 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 515' ' ' ARG . . . . . . . . . . . . . 30.0 mmt180 -86.15 145.67 26.92 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.208 -0.451 . . . . 4.0 110.098 176.746 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 516' ' ' LYS . . . . . 0.445 ' HB3' ' NH1' ' A' ' 520' ' ' ARG . 44.7 mmtm -136.7 28.27 2.97 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.313 -0.403 . . . . 1.89 110.06 174.899 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 517' ' ' GLY . . . . . . . . . . . . . . . -82.9 -99.69 0.51 Allowed Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.69 -0.767 . . . . 2.04 111.669 -178.589 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 518' ' ' ALA . . . . . . . . . . . . . . . -86.1 -16.33 38.37 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 121.838 0.827 . . . . 1.75 109.211 175.354 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 519' ' ' GLY . . . . . . . . . . . . . . . -109.52 110.58 2.98 Favored Glycine 0 N--CA 1.44 -1.073 0 CA-C-N 114.276 -1.329 . . . . 0.67 111.08 177.189 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 520' ' ' ARG . . . . . 0.445 ' NH1' ' HB3' ' A' ' 516' ' ' LYS . 36.6 mtp85 -131.38 132.95 44.79 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 109.705 -0.48 . . . . 2.22 109.705 173.873 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 521' ' ' VAL . . . . . 0.64 HG13 HD21 ' A' ' 599' ' ' LEU . 94.2 t -117.84 121.19 66.81 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.736 0 CA-C-N 116.104 -0.498 . . . . 0.32 111.26 175.043 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 522' ' ' VAL . . . . . 0.406 HG11 ' CE ' ' A' ' 563' ' ' MET . 24.2 t -121.11 122.81 68.54 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.782 0 N-CA-C 107.73 -1.211 . . . . 0.22 107.73 172.703 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 523' ' ' HIS . . . . . 0.548 ' HB2' ' OG ' ' A' ' 593' ' ' SER . 78.9 t60 -104.99 133.72 49.3 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.174 0.512 . . . . 0.44 110.854 -172.569 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 524' ' ' ILE . . . . . 0.513 HD11 HD22 ' A' ' 561' ' ' LEU . 29.2 mt -114.02 129.89 69.16 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.886 0 N-CA-C 108.412 -0.959 . . . . 0.19 108.412 177.265 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 525' ' ' CYS . . . . . 0.512 ' SG ' ' HB3' ' A' ' 589' ' ' LEU . 2.1 p -134.76 165.84 24.34 Favored 'General case' 0 C--N 1.315 -0.927 0 C-N-CA 120.513 -0.475 . . . . 1.17 111.57 -174.521 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 526' ' ' ASN . . . . . 0.466 ' HB2' ' O ' ' A' ' 525' ' ' CYS . 87.7 m-20 86.68 28.69 0.04 OUTLIER 'General case' 0 N--CA 1.468 0.443 0 O-C-N 124.998 1.436 . . . . 0.26 110.032 178.027 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 527' ' ' LEU . . . . . 0.573 ' HB3' ' SG ' ' A' ' 532' ' ' CYS . 82.1 mt -92.96 123.34 61.52 Favored Pre-proline 0 C--N 1.323 -0.544 0 CA-C-N 115.26 -0.882 . . . . 0.25 108.692 177.823 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 528' ' ' PRO . . . . . 0.431 ' HD3' ' HA ' ' A' ' 527' ' ' LEU . 4.3 Cg_exo -74.36 134.21 18.68 Favored 'Trans proline' 0 N--CA 1.461 -0.399 0 C-N-CA 121.54 1.494 . . . . 0.38 111.917 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 529' ' ' GLU . . . . . . . . . . . . . 28.0 tt0 -65.28 130.78 44.58 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 109.85 -0.426 . . . . 1.6 109.85 177.233 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 530' ' ' GLY . . . . . . . . . . . . . . . 94.55 3.24 62.91 Favored Glycine 0 N--CA 1.445 -0.757 0 N-CA-C 110.505 -1.038 . . . . 0.48 110.505 -172.434 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 531' ' ' SER . . . . . . . . . . . . . 50.7 m -145.97 7.61 1.07 Allowed 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.066 0.46 . . . . 1.08 110.385 -178.89 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 532' ' ' CYS . . . . . 0.573 ' SG ' ' HB3' ' A' ' 527' ' ' LEU . 57.5 m -94.18 90.7 6.45 Favored 'General case' 0 CA--C 1.515 -0.399 0 N-CA-C 108.953 -0.758 . . . . 0.25 108.953 179.744 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 533' ' ' THR . . . . . 0.473 ' O ' HG23 ' A' ' 537' ' ' VAL . 25.4 p -102.0 151.25 22.35 Favored 'General case' 0 N--CA 1.442 -0.833 0 C-N-CA 119.515 -0.874 . . . . 0.35 108.701 -178.798 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 534' ' ' GLU . . . . . 0.824 ' HA ' HD11 ' A' ' 552' ' ' LEU . 22.9 mp0 -64.95 -33.64 76.52 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 109.004 -0.739 . . . . 1.64 109.004 178.941 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 535' ' ' ASN . . . . . 0.487 HD21 ' CG ' ' A' ' 614' ' ' ASP . 26.1 t-20 -61.05 -49.05 78.93 Favored 'General case' 0 N--CA 1.443 -0.794 0 CA-C-N 114.506 -1.224 . . . . 1.82 111.535 -178.879 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 536' ' ' ASP . . . . . . . . . . . . . 57.4 m-20 -69.63 -46.22 66.71 Favored 'General case' 0 N--CA 1.473 0.714 0 CA-C-O 121.523 0.678 . . . . 0.61 111.154 -173.916 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 537' ' ' VAL . . . . . 0.473 HG23 ' O ' ' A' ' 533' ' ' THR . 28.0 t -61.32 -47.53 93.05 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 CA-C-N 114.719 -1.128 . . . . 0.15 110.115 -177.356 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 538' ' ' ILE . . . . . 0.581 HD11 ' CD1' ' A' ' 550' ' ' TYR . 62.6 mt -68.41 -33.31 59.53 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-N 115.695 -0.684 . . . . 0.23 111.28 176.525 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 539' ' ' ASN . . . . . 0.424 ' HA ' HD11 ' A' ' 615' ' ' ILE . 98.1 m-20 -58.25 -26.41 62.89 Favored 'General case' 0 N--CA 1.468 0.446 0 C-N-CA 120.797 -0.361 . . . . 0.25 110.364 175.874 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 540' ' ' LEU . . . . . 0.457 HD11 HD12 ' A' ' 588' ' ' LEU . 87.4 mt -75.51 -41.38 55.34 Favored 'General case' 0 C--N 1.323 -0.556 0 C-N-CA 120.475 -0.49 . . . . 0.27 110.241 174.218 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 541' ' ' GLY . . . . . 0.558 ' HA2' ' SD ' ' A' ' 572' ' ' MET . . . -67.43 -51.69 35.64 Favored Glycine 0 CA--C 1.527 0.824 0 N-CA-C 116.278 1.271 . . . . 0.19 116.278 -178.939 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 542' ' ' LEU . . . . . 0.516 HD13 ' CG1' ' A' ' 612' ' ' ILE . 49.7 mt -61.95 -39.63 60.82 Favored Pre-proline 0 C--N 1.319 -0.749 0 N-CA-C 115.628 1.714 . . . . 0.2 115.628 -168.15 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 543' ' ' PRO . . . . . 0.5 ' HG3' HG21 ' A' ' 615' ' ' ILE . 52.5 Cg_exo -60.5 -25.39 80.49 Favored 'Trans proline' 0 C--N 1.345 0.359 0 C-N-CA 121.476 1.451 . . . . 0.23 112.995 -179.197 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 544' ' ' PHE . . . . . . . . . . . . . 92.5 m-85 -103.44 -4.06 24.58 Favored 'General case' 0 C--O 1.233 0.199 0 N-CA-C 111.877 0.325 . . . . 0.33 111.877 -179.178 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 545' ' ' GLY . . . . . 0.435 ' O ' ' HA ' ' A' ' 542' ' ' LEU . . . 172.72 -171.14 44.17 Favored Glycine 0 N--CA 1.448 -0.506 0 C-N-CA 119.726 -1.226 . . . . 0.44 113.192 -179.524 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 546' ' ' LYS . . . . . . . . . . . . . 63.3 tttp -95.26 121.96 37.45 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 110.211 -0.292 . . . . 2.07 110.211 -177.706 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 547' ' ' VAL . . . . . 0.575 ' HB ' HG11 ' A' ' 608' ' ' VAL . 77.2 t -87.83 113.85 25.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-N 116.411 -0.359 . . . . 0.2 110.209 174.057 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 548' ' ' THR . . . . . . . . . . . . . 20.8 p -96.9 -35.09 11.01 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.066 -0.516 . . . . 0.31 111.643 177.171 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 549' ' ' ASN . . . . . 0.529 ' OD1' HD11 ' A' ' 601' ' ' LEU . 89.8 m-20 -142.03 160.68 39.72 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.43 0.633 . . . . 1.26 110.623 178.523 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 550' ' ' TYR . . . . . 0.581 ' CD1' HD11 ' A' ' 538' ' ' ILE . 1.6 p90 -160.86 150.75 17.46 Favored 'General case' 0 C--N 1.315 -0.904 0 CA-C-N 114.988 -1.005 . . . . 0.31 109.016 -179.582 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 551' ' ' ILE . . . . . 0.575 HG23 ' N3 ' ' B' ' 5' ' ' ' U' . 77.5 mt -140.01 121.43 15.24 Favored 'Isoleucine or valine' 0 CA--C 1.506 -0.725 0 N-CA-C 108.144 -1.058 . . . . 0.22 108.144 178.664 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 552' ' ' LEU . . . . . 0.824 HD11 ' HA ' ' A' ' 534' ' ' GLU . 18.6 mt -111.76 111.7 22.86 Favored 'General case' 0 C--N 1.311 -1.079 0 C-N-CA 119.497 -0.881 . . . . 0.43 109.544 178.796 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 553' ' ' MET . . . . . 0.443 ' HG2' " C4'" ' B' ' 4' ' ' ' U' . 2.9 mpp? -100.67 84.42 2.73 Favored 'General case' 0 C--N 1.317 -0.838 0 N-CA-C 108.028 -1.101 . . . . 1.03 108.028 -176.531 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 554' ' ' LYS . . . . . 0.554 ' HD2' ' HB2' ' A' ' 532' ' ' CYS . 19.6 mmtp -52.43 -29.57 25.11 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 114.343 -1.299 . . . . 1.03 111.995 -179.596 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 555' ' ' SER . . . . . . . . . . . . . 63.5 p -69.85 -39.14 76.58 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 120.932 0.396 . . . . 0.51 111.207 -175.64 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 556' ' ' THR . . . . . . . . . . . . . 62.9 p -97.21 3.04 51.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.289 -0.414 . . . . 0.45 111.904 -177.306 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 557' ' ' ASN . . . . . . . . . . . . . 2.6 m-20 56.4 38.18 29.48 Favored 'General case' 0 N--CA 1.469 0.508 0 CA-C-O 121.505 0.669 . . . . 1.28 110.727 -178.63 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 558' ' ' GLN . . . . . . . . . . . . . 48.8 mt-30 -144.57 166.79 24.17 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.308 -0.86 . . . . 0.84 109.719 -176.672 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 559' ' ' ALA . . . . . . . . . . . . . . . -156.38 164.36 38.38 Favored 'General case' 0 N--CA 1.449 -0.503 0 CA-C-O 121.487 0.66 . . . . 0.16 112.475 -176.155 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 560' ' ' PHE . . . . . 0.473 ' HB2' ' HB ' ' A' ' 551' ' ' ILE . 91.4 m-85 -120.85 151.43 39.65 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.146 -0.933 . . . . 0.35 110.899 176.351 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 561' ' ' LEU . . . . . 0.513 HD22 HD11 ' A' ' 524' ' ' ILE . 47.8 tp -137.39 120.77 17.0 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.788 -0.642 . . . . 0.2 110.029 -179.512 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 562' ' ' GLU . . . . . 0.474 ' HB2' HD12 ' A' ' 599' ' ' LEU . 31.5 tt0 -98.41 132.4 43.9 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.349 0.595 . . . . 2.09 110.425 179.059 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 563' ' ' MET . . . . . 0.533 ' SD ' ' HA ' ' A' ' 569' ' ' ALA . 40.9 mtt -122.28 135.13 54.69 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.119 -0.946 . . . . 0.39 109.769 -174.377 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 564' ' ' ALA . . . . . . . . . . . . . . . -74.44 -16.51 60.86 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 112.694 0.627 . . . . 0.5 112.694 -170.176 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 565' ' ' TYR . . . . . 0.409 ' CB ' ' HG2' ' A' ' 567' ' ' GLU . 98.5 m-85 -138.16 148.09 44.54 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 120.799 0.333 . . . . 1.15 110.303 -176.436 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 566' ' ' THR . . . . . . . . . . . . . 14.0 t -63.89 -27.38 69.12 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.818 -0.628 . . . . 0.57 110.787 -179.341 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 567' ' ' GLU . . . . . 0.409 ' HG2' ' CB ' ' A' ' 565' ' ' TYR . 9.5 pt-20 -56.55 -34.12 66.76 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.592 -0.731 . . . . 0.89 110.926 176.735 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 568' ' ' ALA . . . . . 0.633 ' O ' ' HG3' ' A' ' 572' ' ' MET . . . -74.23 -45.83 45.57 Favored 'General case' 0 N--CA 1.45 -0.444 0 CA-C-N 115.963 -0.562 . . . . 0.26 111.49 -172.672 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 569' ' ' ALA . . . . . 0.533 ' HA ' ' SD ' ' A' ' 563' ' ' MET . . . -65.28 -44.86 86.67 Favored 'General case' 0 N--CA 1.453 -0.282 0 CA-C-N 116.574 -0.284 . . . . 0.24 111.216 -176.256 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 570' ' ' GLN . . . . . . . . . . . . . 13.4 pt20 -68.14 -36.29 79.45 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.558 -0.292 . . . . 1.24 111.123 -179.448 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 571' ' ' ALA . . . . . . . . . . . . . . . -65.56 -46.16 80.56 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-O 120.763 0.316 . . . . 0.31 111.135 -179.338 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 572' ' ' MET . . . . . 0.633 ' HG3' ' O ' ' A' ' 568' ' ' ALA . 23.5 mtt -68.9 -47.65 65.3 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.241 -0.436 . . . . 0.47 111.222 -177.028 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 573' ' ' VAL . . . . . 0.414 HG23 ' O ' ' A' ' 569' ' ' ALA . 81.3 t -58.49 -47.55 87.93 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.369 0 C-N-CA 120.83 -0.348 . . . . 0.34 110.556 -177.426 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 574' ' ' GLN . . . . . . . . . . . . . 49.6 mt-30 -61.32 -38.04 85.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.823 0.344 . . . . 2.09 110.855 179.865 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 575' ' ' TYR . . . . . . . . . . . . . 91.8 t80 -68.93 -53.29 21.76 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.082 -0.508 . . . . 0.48 110.879 -179.085 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 576' ' ' TYR . . . . . 0.469 ' CD2' HD12 ' A' ' 590' ' ' ILE . 84.8 m-85 -75.94 -14.39 60.25 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 112.901 0.704 . . . . 0.36 112.901 -174.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 577' ' ' GLN . . . . . . . . . . . . . 11.5 mm100 -68.78 -43.71 75.16 Favored 'General case' 0 C--N 1.328 -0.339 0 C-N-CA 120.509 -0.477 . . . . 1.89 109.962 172.397 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 578' ' ' GLU . . . . . . . . . . . . . 41.1 mm-40 -88.59 -37.57 15.56 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.037 -0.529 . . . . 2.14 111.747 179.557 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 579' ' ' LYS . . . . . . . . . . . . . 63.4 mttm -131.35 82.29 62.79 Favored Pre-proline 0 C--N 1.324 -0.542 0 N-CA-C 109.338 -0.615 . . . . 2.46 109.338 -177.846 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 580' ' ' PRO . . . . . . . . . . . . . 9.2 Cg_exo -67.86 161.34 44.43 Favored 'Trans proline' 0 N--CA 1.459 -0.553 0 C-N-CA 122.699 2.266 . . . . 0.37 111.831 -177.126 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 581' ' ' ALA . . . . . 0.401 ' O ' ' HG ' ' A' ' 588' ' ' LEU . . . -90.71 136.85 32.8 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.363 -0.38 . . . . 0.27 110.127 -176.614 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 582' ' ' ILE . . . . . . . . . . . . . 63.7 mt -100.28 121.21 50.74 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.741 0 CA-C-N 116.212 -0.449 . . . . 0.51 111.402 -175.574 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 583' ' ' ILE . . . . . 0.477 HG13 HD11 ' A' ' 588' ' ' LEU . 5.5 mt -126.79 112.01 27.79 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 CA-C-N 115.924 -0.58 . . . . 0.51 109.726 170.31 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 584' ' ' ASN . . . . . . . . . . . . . 96.4 m-20 57.82 34.46 24.41 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-O 121.421 0.629 . . . . 1.1 110.66 -178.944 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 585' ' ' GLY . . . . . . . . . . . . . . . 84.98 4.29 87.13 Favored Glycine 0 N--CA 1.447 -0.632 0 CA-C-N 115.353 -0.839 . . . . 0.44 113.575 177.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 586' ' ' GLU . . . . . . . . . . . . . 75.1 mm-40 -100.91 126.71 47.56 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 117.163 0.481 . . . . 1.79 111.239 179.717 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 587' ' ' LYS . . . . . . . . . . . . . 72.6 mmtt -73.46 112.49 9.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.443 -0.799 . . . . 1.67 110.365 174.62 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 588' ' ' LEU . . . . . 0.477 HD11 HG13 ' A' ' 583' ' ' ILE . 48.1 mt -78.85 136.18 37.25 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 120.762 0.315 . . . . 0.24 110.383 178.607 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 589' ' ' LEU . . . . . 0.512 ' HB3' ' SG ' ' A' ' 525' ' ' CYS . 40.9 tp -112.74 112.93 24.78 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.971 -0.559 . . . . 0.38 110.691 -177.284 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 590' ' ' ILE . . . . . 0.469 HD12 ' CD2' ' A' ' 576' ' ' TYR . 18.6 mt -103.7 118.48 50.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 N-CA-C 110.127 -0.323 . . . . 0.26 110.127 176.309 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 591' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -146.78 164.94 31.17 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.253 -0.43 . . . . 2.62 109.85 -178.374 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 592' ' ' MET . . . . . . . . . . . . . 62.0 mtt -83.58 142.81 30.57 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 110.107 -0.331 . . . . 0.34 110.107 -178.499 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 593' ' ' SER . . . . . 0.579 ' HB3' ' C2 ' ' B' ' 3' ' ' ' C' . 55.6 m -86.67 141.27 29.06 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.278 0.561 . . . . 1.37 112.098 -175.909 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 594' ' ' THR . . . . . . . . . . . . . 19.5 p -91.62 -17.04 26.15 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.064 -0.971 . . . . 0.38 112.335 -178.583 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 595' ' ' ARG . . . . . 0.456 ' HB2' ' O2 ' ' B' ' 3' ' ' ' C' . 73.4 mtp180 -101.63 -31.55 10.77 Favored 'General case' 0 C--N 1.329 -0.285 0 C-N-CA 120.389 -0.524 . . . . 2.75 112.074 -171.088 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 596' ' ' TYR . . . . . . . . . . . . . 69.0 m-85 -115.19 139.17 50.16 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 121.107 0.48 . . . . 0.65 111.583 -176.111 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 597' ' ' LYS . . . . . 0.529 ' N ' ' HD2' ' A' ' 597' ' ' LYS . 10.1 mptt -109.05 -7.82 15.28 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.163 -0.926 . . . . 2.18 110.434 177.504 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 598' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -143.09 151.78 41.12 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.978 0.418 . . . . 0.95 110.843 -175.703 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 599' ' ' LEU . . . . . 0.64 HD21 HG13 ' A' ' 521' ' ' VAL . 85.9 mt -115.88 119.63 36.59 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.542 -0.754 . . . . 0.45 110.455 -179.537 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 600' ' ' GLN . . . . . . . . . . . . . 30.1 tt0 -104.27 126.38 51.33 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.834 -0.621 . . . . 1.52 110.967 -179.681 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 601' ' ' LEU . . . . . 0.529 HD11 ' OD1' ' A' ' 549' ' ' ASN . 54.9 mt -84.02 90.57 7.46 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.149 -0.478 . . . . 0.46 111.251 -179.674 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 602' ' ' LYS . . . . . . . . . . . . . 54.7 mtpt -75.61 -20.7 58.36 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.194 0.521 . . . . 1.73 110.232 173.204 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 603' ' ' LYS . . . . . . . . . . . . . 33.9 mmtp -113.73 152.38 45.48 Favored Pre-proline 0 C--N 1.323 -0.583 0 CA-C-N 115.725 -0.67 . . . . 1.69 109.375 177.1 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 604' ' ' PRO . . . . . . . . . . . . . 31.1 Cg_endo -63.65 157.49 51.23 Favored 'Trans proline' 0 C--O 1.235 0.331 0 C-N-CA 122.653 2.235 . . . . 1.21 112.7 -177.17 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 605' ' ' GLY . . . . . . . . . . . . . . . -113.93 126.68 7.46 Favored Glycine 0 N--CA 1.439 -1.155 0 N-CA-C 110.766 -0.934 . . . . 1.23 110.766 -179.53 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 606' ' ' LYS . . . . . . . . . . . . . 30.6 mmmt -92.25 165.36 13.15 Favored 'General case' 0 C--N 1.314 -0.972 0 N-CA-C 109.355 -0.609 . . . . 3.47 109.355 -179.514 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 607' ' ' ASN . . . . . . . . . . . . . 51.7 t-20 -54.72 120.81 7.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.329 0.585 . . . . 1.33 111.209 179.536 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 608' ' ' VAL . . . . . 0.575 HG11 ' HB ' ' A' ' 547' ' ' VAL . 71.5 t -95.71 -27.13 4.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-N 115.158 -0.928 . . . . 0.3 110.695 -178.369 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 609' ' ' ALA . . . . . . . . . . . . . . . -61.93 -34.92 76.96 Favored 'General case' 0 C--O 1.239 0.508 0 CA-C-O 121.516 0.674 . . . . 0.44 110.387 176.314 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 610' ' ' ALA . . . . . . . . . . . . . . . -65.1 -27.07 68.51 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.506 -0.77 . . . . 0.4 110.274 175.885 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 611' ' ' ILE . . . . . 0.442 ' HB ' ' O ' ' A' ' 608' ' ' VAL . 74.9 mt -71.33 -31.4 43.45 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 115.726 -0.67 . . . . 0.25 109.646 177.331 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 612' ' ' ILE . . . . . 0.516 ' CG1' HD13 ' A' ' 542' ' ' LEU . 58.3 mt -61.15 -41.45 89.46 Favored 'Isoleucine or valine' 0 C--O 1.234 0.284 0 CA-C-O 120.913 0.387 . . . . 0.31 110.008 173.613 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 613' ' ' GLN . . . . . . . . . . . . . 71.1 mt-30 -61.9 -37.63 85.32 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 115.72 -0.673 . . . . 2.31 109.505 176.58 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 614' ' ' ASP . . . . . 0.487 ' CG ' HD21 ' A' ' 535' ' ' ASN . 15.8 t70 -64.89 -45.37 86.22 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 114.58 -1.191 . . . . 1.95 111.243 -177.771 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 615' ' ' ILE . . . . . 0.504 ' CD1' ' HB2' ' A' ' 542' ' ' LEU . 87.4 mt -59.16 -48.62 86.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.125 -0.489 . . . . 0.35 110.87 179.16 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 616' ' ' HIS . . . . . . . . . . . . . 50.6 m-70 -70.53 -27.69 64.35 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.807 -0.633 . . . . 1.26 111.205 -179.779 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 617' ' ' SER . . . . . . . . . . . . . 15.9 t -65.26 -33.11 75.21 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.265 -0.425 . . . . 1.18 110.544 178.261 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 618' ' ' GLN . . . . . . . . . . . . . 82.1 mm-40 71.64 -61.9 0.47 Allowed 'General case' 0 N--CA 1.467 0.383 0 O-C-N 123.885 0.74 . . . . 4.68 110.563 -179.666 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 619' ' ' ARG . . . . . . . . . . . . . 83.2 mtp180 -123.24 143.58 49.95 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 109.257 -0.646 . . . . 7.77 109.257 176.104 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 620' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -105.99 31.95 4.73 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 121.138 0.494 . . . . 7.92 111.114 -177.464 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 621' ' ' ARG . . . . . . . . . . . . . 51.2 ttp180 . . . . . 0 C--O 1.247 0.943 0 CA-C-N 115.144 -0.934 . . . . 11.0 109.962 -179.731 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 1' ' ' ADN . . . . . 0.495 " H4'" " O5'" ' B' ' 2' ' ' ' U' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 2' ' ' ' U' . . . . . 0.495 " O5'" " H4'" ' B' ' 1' ' ' ADN . . . . . . . . 0 O5'--C5' 1.425 -0.965 0 C3'-C2'-C1' 100.408 -1.213 . 0.0 '__' . 2.99 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 3' ' ' ' C' . . . . . 0.652 " H2'" ' HD3' ' A' ' 595' ' ' ARG . . . . . . . . 0 O5'--C5' 1.427 -0.838 0 C4'-C3'-C2' 104.177 1.477 . 0.0 OUTLIER . 1.58 . . . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 4' ' ' ' U' . . . . . 0.606 ' O2 ' ' HE2' ' A' ' 602' ' ' LYS . . . . . . . . 0 O5'--C5' 1.424 -0.993 0 C4'-C3'-C2' 104.202 1.502 . 0.0 OUTLIER . 1.15 . . . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 5' ' ' ' U' . . . . . 0.654 ' O4 ' ' HA ' ' A' ' 601' ' ' LEU . . . . . . . . 0 O5'--C5' 1.424 -0.975 0 C3'-C2'-C1' 99.773 -1.919 . 0.0 OUTLIER gamma 1.33 . . . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 6' ' ' ' A' . . . . . 0.407 ' C2 ' " H3'" ' B' ' 5' ' ' ' U' . . . . . . . . 0 O5'--C5' 1.43 -0.643 0 P-O3'-C3' 121.088 1.156 . 0.0 OUTLIER gamma 4.23 . . . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 510' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.775 0 N-CA-C 111.921 -0.472 . . . . 8.88 111.921 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 511' ' ' ALA . . . . . . . . . . . . . . . -81.92 125.52 30.84 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.601 0.239 . . . . 6.64 110.785 -179.592 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 512' ' ' MET . . . . . . . . . . . . . 26.2 ptm -147.51 145.45 29.12 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.307 -0.406 . . . . 6.33 110.401 -179.901 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 513' ' ' ALA . . . . . . . . . . . . . . . 68.38 -77.95 0.05 OUTLIER 'General case' 0 N--CA 1.466 0.338 0 O-C-N 123.993 0.808 . . . . 4.2 111.893 179.755 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 514' ' ' GLN . . . . . . . . . . . . . 46.1 mt-30 -137.36 177.04 8.17 Favored 'General case' 0 C--N 1.309 -1.192 0 CA-C-N 115.327 -0.851 . . . . 2.88 111.028 -178.899 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 515' ' ' ARG . . . . . . . . . . . . . 51.5 mtm180 -75.04 -65.7 0.85 Allowed 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.17 -0.468 . . . . 4.0 110.952 179.381 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 516' ' ' LYS . . . . . . . . . . . . . 73.2 mmtt 55.3 75.34 0.32 Allowed 'General case' 0 N--CA 1.465 0.284 0 CA-C-N 115.802 -0.635 . . . . 1.89 110.566 -178.152 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 517' ' ' GLY . . . . . . . . . . . . . . . -161.78 -75.49 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.36 0 N-CA-C 111.267 -0.733 . . . . 2.04 111.267 178.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 518' ' ' ALA . . . . . . . . . . . . . . . -86.37 51.68 2.29 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.682 0.753 . . . . 1.75 109.237 172.914 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 519' ' ' GLY . . . . . . . . . . . . . . . 139.95 106.0 0.65 Allowed Glycine 0 N--CA 1.443 -0.85 0 CA-C-N 114.833 -1.076 . . . . 0.67 110.653 -171.934 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 520' ' ' ARG . . . . . . . . . . . . . 16.9 mtm-85 -126.64 134.28 50.79 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.077 0.465 . . . . 2.22 110.929 179.026 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 521' ' ' VAL . . . . . 0.757 HG13 HD21 ' A' ' 599' ' ' LEU . 85.9 t -117.74 121.14 66.72 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.828 0 CA-C-N 115.708 -0.678 . . . . 0.32 109.894 165.155 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 522' ' ' VAL . . . . . 0.547 ' HB ' ' O ' ' A' ' 561' ' ' LEU . 27.0 t -120.12 121.97 67.2 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.87 0 N-CA-C 107.725 -1.213 . . . . 0.22 107.725 177.225 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 523' ' ' HIS . . . . . 0.423 ' HE2' ' HB3' ' A' ' 558' ' ' GLN . 37.1 t-80 -105.28 132.23 51.74 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-O 121.268 0.556 . . . . 0.44 111.008 -171.047 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 524' ' ' ILE . . . . . 0.473 HD11 HD22 ' A' ' 561' ' ' LEU . 28.0 mt -113.67 141.3 30.1 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.844 0 N-CA-C 108.594 -0.891 . . . . 0.19 108.594 177.523 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 525' ' ' CYS . . . . . 0.472 ' O ' ' HB2' ' A' ' 526' ' ' ASN . 1.2 p -143.77 166.21 25.52 Favored 'General case' 0 C--N 1.311 -1.075 0 C-N-CA 120.555 -0.458 . . . . 1.17 111.86 -175.586 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 526' ' ' ASN . . . . . 0.472 ' HB2' ' O ' ' A' ' 525' ' ' CYS . 93.9 m-20 85.77 26.47 0.06 Allowed 'General case' 0 N--CA 1.469 0.519 0 O-C-N 124.934 1.396 . . . . 0.26 110.409 178.158 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 527' ' ' LEU . . . . . 0.475 ' HB3' ' SG ' ' A' ' 532' ' ' CYS . 83.6 mt -85.4 124.79 71.2 Favored Pre-proline 0 C--N 1.322 -0.606 0 N-CA-C 108.794 -0.817 . . . . 0.25 108.794 178.9 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 528' ' ' PRO . . . . . 0.418 ' HD3' ' HA ' ' A' ' 527' ' ' LEU . 8.4 Cg_exo -70.5 134.76 27.13 Favored 'Trans proline' 0 N--CA 1.458 -0.606 0 C-N-CA 121.438 1.426 . . . . 0.38 111.861 -178.438 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 529' ' ' GLU . . . . . . . . . . . . . 28.7 tt0 -64.6 130.77 44.89 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.666 -0.697 . . . . 1.6 109.86 178.092 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 530' ' ' GLY . . . . . . . . . . . . . . . 89.95 4.07 72.65 Favored Glycine 0 N--CA 1.447 -0.591 0 C-N-CA 119.999 -1.096 . . . . 0.48 111.22 -173.319 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 531' ' ' SER . . . . . . . . . . . . . 16.6 m -143.9 5.9 1.36 Allowed 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.133 0.492 . . . . 1.08 110.015 -176.324 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 532' ' ' CYS . . . . . 0.475 ' SG ' ' HB3' ' A' ' 527' ' ' LEU . 56.0 m -91.76 88.9 6.86 Favored 'General case' 0 CA--C 1.513 -0.452 0 N-CA-C 109.023 -0.732 . . . . 0.25 109.023 -179.729 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 533' ' ' THR . . . . . 0.496 ' O ' HG23 ' A' ' 537' ' ' VAL . 32.2 p -99.67 152.24 20.3 Favored 'General case' 0 C--N 1.317 -0.839 0 C-N-CA 119.672 -0.811 . . . . 0.35 108.932 -179.458 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 534' ' ' GLU . . . . . 0.504 ' N ' HD11 ' A' ' 552' ' ' LEU . 41.4 mt-10 -65.83 -35.01 79.47 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 108.959 -0.756 . . . . 1.64 108.959 178.074 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 535' ' ' ASN . . . . . . . . . . . . . 6.0 m-20 -63.96 -46.69 83.52 Favored 'General case' 0 C--O 1.213 -0.852 0 CA-C-N 114.76 -1.109 . . . . 1.82 111.582 -178.768 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 536' ' ' ASP . . . . . . . . . . . . . 16.9 m-20 -69.05 -44.92 71.66 Favored 'General case' 0 N--CA 1.472 0.668 0 CA-C-N 118.505 0.593 . . . . 0.61 111.479 -173.645 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 537' ' ' VAL . . . . . 0.496 HG23 ' O ' ' A' ' 533' ' ' THR . 38.5 t -60.07 -47.65 91.06 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.729 0 CA-C-N 115.048 -0.978 . . . . 0.15 109.844 -179.271 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 538' ' ' ILE . . . . . 0.666 HD11 ' CG ' ' A' ' 550' ' ' TYR . 75.5 mt -68.04 -33.78 63.02 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.82 0 CA-C-N 115.015 -0.993 . . . . 0.23 111.331 176.555 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 539' ' ' ASN . . . . . 0.495 ' HA ' HD11 ' A' ' 615' ' ' ILE . 95.2 m-20 -59.01 -26.37 64.49 Favored 'General case' 0 CA--C 1.513 -0.465 0 O-C-N 122.342 -0.224 . . . . 0.25 110.555 176.542 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 540' ' ' LEU . . . . . 0.484 HD11 HD12 ' A' ' 588' ' ' LEU . 85.2 mt -75.0 -41.03 60.29 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 109.865 -0.42 . . . . 0.27 109.865 173.526 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 541' ' ' GLY . . . . . 0.508 ' HA3' HD21 ' A' ' 561' ' ' LEU . . . -67.42 -52.73 29.04 Favored Glycine 0 CA--C 1.524 0.653 0 N-CA-C 115.453 0.941 . . . . 0.19 115.453 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 542' ' ' LEU . . . . . 0.566 ' HA ' ' O ' ' A' ' 545' ' ' GLY . 45.4 mt -56.19 -45.19 99.94 Favored Pre-proline 0 C--N 1.321 -0.669 0 N-CA-C 115.208 1.559 . . . . 0.2 115.208 -167.61 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 543' ' ' PRO . . . . . 0.402 ' HG3' HD13 ' A' ' 615' ' ' ILE . 50.1 Cg_exo -59.9 -26.64 82.91 Favored 'Trans proline' 0 C--N 1.346 0.445 0 C-N-CA 122.036 1.824 . . . . 0.23 113.169 -178.651 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 544' ' ' PHE . . . . . 0.436 ' HB2' ' HE2' ' A' ' 572' ' ' MET . 99.7 m-85 -99.89 -16.81 17.88 Favored 'General case' 0 C--N 1.332 -0.166 0 C-N-CA 120.947 -0.301 . . . . 0.33 111.54 177.753 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 545' ' ' GLY . . . . . 0.566 ' O ' ' HA ' ' A' ' 542' ' ' LEU . . . -178.69 151.87 10.82 Favored Glycine 0 C--O 1.226 -0.394 0 C-N-CA 120.595 -0.812 . . . . 0.44 112.261 179.196 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 546' ' ' LYS . . . . . . . . . . . . . 40.4 ttmt -66.27 128.0 34.41 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.97 0.414 . . . . 2.07 110.688 -178.626 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 547' ' ' VAL . . . . . 0.579 ' HB ' HG11 ' A' ' 608' ' ' VAL . 70.8 t -90.24 116.55 31.79 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-N 115.862 -0.608 . . . . 0.2 110.918 -179.218 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 548' ' ' THR . . . . . . . . . . . . . 26.0 p -95.04 -34.81 12.18 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.049 -0.523 . . . . 0.31 111.876 -178.959 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 549' ' ' ASN . . . . . 0.47 ' HB2' ' HB2' ' A' ' 562' ' ' GLU . 28.6 m-80 -143.35 156.4 44.68 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.214 -0.448 . . . . 1.26 110.366 -177.845 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 550' ' ' TYR . . . . . 0.666 ' CG ' HD11 ' A' ' 538' ' ' ILE . 3.7 p90 -160.55 152.1 19.55 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.117 -0.492 . . . . 0.31 109.909 -177.61 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 551' ' ' ILE . . . . . 0.557 HG23 ' C2 ' ' B' ' 5' ' ' ' U' . 67.0 mt -144.92 127.13 9.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 N-CA-C 108.592 -0.892 . . . . 0.22 108.592 -177.314 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 552' ' ' LEU . . . . . 0.504 HD11 ' N ' ' A' ' 534' ' ' GLU . 21.9 mt -107.23 123.25 48.02 Favored 'General case' 0 C--N 1.318 -0.796 0 C-N-CA 120.159 -0.616 . . . . 0.43 111.197 -178.856 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 553' ' ' MET . . . . . 0.447 ' HE1' ' HB2' ' A' ' 558' ' ' GLN . 9.9 mtp -110.07 79.24 1.19 Allowed 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 108.876 -0.787 . . . . 1.03 108.876 178.745 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 554' ' ' LYS . . . . . 0.469 ' HD2' ' HB2' ' A' ' 532' ' ' CYS . 22.6 mmtp -54.63 -28.76 49.15 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.24 -0.891 . . . . 1.03 112.747 175.112 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 555' ' ' SER . . . . . . . . . . . . . 63.3 p -69.13 -43.55 74.15 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 120.903 0.382 . . . . 0.51 111.169 -173.184 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 556' ' ' THR . . . . . . . . . . . . . 51.1 p -100.76 4.14 42.75 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 112.227 0.454 . . . . 0.45 112.227 -176.149 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 557' ' ' ASN . . . . . . . . . . . . . 81.4 m-20 59.68 43.19 15.9 Favored 'General case' 0 N--CA 1.468 0.456 0 CA-C-O 121.709 0.766 . . . . 1.28 110.141 -175.425 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 558' ' ' GLN . . . . . 0.447 ' HB2' ' HE1' ' A' ' 553' ' ' MET . 79.4 mt-30 -137.03 167.74 20.93 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 114.99 -1.005 . . . . 0.84 109.71 -177.038 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 559' ' ' ALA . . . . . . . . . . . . . . . -159.13 165.06 34.63 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.054 0.454 . . . . 0.16 111.379 176.729 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 560' ' ' PHE . . . . . 0.511 ' HB2' ' HB ' ' A' ' 551' ' ' ILE . 86.3 m-85 -119.59 146.72 45.26 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.226 -0.443 . . . . 0.35 110.89 176.067 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 561' ' ' LEU . . . . . 0.547 ' O ' ' HB ' ' A' ' 522' ' ' VAL . 51.3 tp -136.88 119.31 15.81 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.744 -0.662 . . . . 0.2 110.45 -178.091 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 562' ' ' GLU . . . . . 0.47 ' HB2' ' HB2' ' A' ' 549' ' ' ASN . 0.0 OUTLIER -102.96 136.7 42.3 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.249 0.547 . . . . 2.09 110.212 176.925 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 563' ' ' MET . . . . . 0.565 ' SD ' ' HA ' ' A' ' 569' ' ' ALA . 32.2 mtt -120.54 163.61 17.72 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 115.322 -0.854 . . . . 0.39 109.583 -171.876 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 564' ' ' ALA . . . . . . . . . . . . . . . -62.29 -43.02 99.79 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 118.308 0.504 . . . . 0.5 111.708 -174.355 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 565' ' ' TYR . . . . . . . . . . . . . 64.1 m-85 -136.08 158.87 43.37 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.193 -0.458 . . . . 1.15 110.583 -177.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 566' ' ' THR . . . . . . . . . . . . . 15.4 t -66.29 -26.9 67.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.976 -0.556 . . . . 0.57 110.816 -179.665 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 567' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -56.67 -31.77 64.75 Favored 'General case' 0 C--O 1.231 0.131 0 CA-C-N 116.101 -0.499 . . . . 0.89 110.739 176.158 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 568' ' ' ALA . . . . . 0.656 ' O ' ' HG3' ' A' ' 572' ' ' MET . . . -73.75 -41.91 61.85 Favored 'General case' 0 N--CA 1.449 -0.486 0 CA-C-N 116.124 -0.489 . . . . 0.26 110.075 -179.662 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 569' ' ' ALA . . . . . 0.565 ' HA ' ' SD ' ' A' ' 563' ' ' MET . . . -64.55 -45.34 87.54 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.033 -0.531 . . . . 0.24 111.263 -175.844 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 570' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -66.14 -35.93 81.79 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.17 -0.468 . . . . 1.24 110.202 -179.258 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 571' ' ' ALA . . . . . . . . . . . . . . . -67.46 -43.95 79.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.782 -0.644 . . . . 0.31 110.979 -179.635 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 572' ' ' MET . . . . . 0.656 ' HG3' ' O ' ' A' ' 568' ' ' ALA . 29.1 mtt -67.72 -42.95 81.11 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.469 -0.332 . . . . 0.47 110.82 -178.41 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 573' ' ' VAL . . . . . 0.579 ' O ' ' HG3' ' A' ' 577' ' ' GLN . 79.0 t -58.39 -47.06 88.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 N-CA-C 110.058 -0.349 . . . . 0.34 110.058 179.662 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 574' ' ' GLN . . . . . . . . . . . . . 86.5 mm-40 -61.55 -37.74 84.89 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.418 -0.356 . . . . 2.09 111.217 179.07 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 575' ' ' TYR . . . . . . . . . . . . . 83.5 t80 -68.98 -53.42 20.77 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.262 -0.426 . . . . 0.48 110.96 -178.275 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 576' ' ' TYR . . . . . 0.534 ' HD2' ' O ' ' A' ' 572' ' ' MET . 97.3 m-85 -73.53 -13.41 61.03 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 112.872 0.693 . . . . 0.36 112.872 -174.829 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 577' ' ' GLN . . . . . 0.579 ' HG3' ' O ' ' A' ' 573' ' ' VAL . 89.0 mt-30 -71.77 -42.87 66.65 Favored 'General case' 0 C--N 1.324 -0.506 0 C-N-CA 120.423 -0.511 . . . . 1.89 109.844 172.657 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 578' ' ' GLU . . . . . . . . . . . . . 10.2 mm-40 -88.53 -38.27 15.06 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.009 -0.541 . . . . 2.14 111.031 -178.848 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 579' ' ' LYS . . . . . . . . . . . . . 56.4 mtpt -129.26 87.55 53.45 Favored Pre-proline 0 C--N 1.327 -0.407 0 CA-C-O 120.797 0.332 . . . . 2.46 110.501 176.625 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 580' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_endo -70.51 161.39 46.2 Favored 'Trans proline' 0 N--CA 1.463 -0.277 0 C-N-CA 122.626 2.217 . . . . 0.37 112.227 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 581' ' ' ALA . . . . . 0.449 ' O ' ' HG ' ' A' ' 588' ' ' LEU . . . -92.68 137.25 32.53 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 109.101 -0.703 . . . . 0.27 109.101 177.507 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 582' ' ' ILE . . . . . . . . . . . . . 51.3 mt -104.3 124.16 58.6 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.735 0 CA-C-O 120.886 0.374 . . . . 0.51 110.981 -176.54 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 583' ' ' ILE . . . . . . . . . . . . . 29.5 mm -125.47 111.65 28.15 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 N-CA-C 108.89 -0.781 . . . . 0.51 108.89 173.372 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 584' ' ' ASN . . . . . . . . . . . . . 11.6 m120 57.6 34.42 24.51 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-O 121.407 0.622 . . . . 1.1 110.542 -178.631 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 585' ' ' GLY . . . . . . . . . . . . . . . 84.75 6.0 85.87 Favored Glycine 0 N--CA 1.445 -0.758 0 CA-C-N 115.48 -0.782 . . . . 0.44 113.412 177.558 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 586' ' ' GLU . . . . . . . . . . . . . 37.5 mm-40 -101.24 124.62 47.23 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 117.132 0.466 . . . . 1.79 110.423 177.761 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 587' ' ' LYS . . . . . . . . . . . . . 66.9 mttm -76.42 119.56 20.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.126 -0.488 . . . . 1.67 110.838 173.747 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 588' ' ' LEU . . . . . 0.484 HD12 HD11 ' A' ' 540' ' ' LEU . 46.9 mt -83.38 138.63 33.42 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.234 -0.439 . . . . 0.24 111.023 -178.654 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 589' ' ' LEU . . . . . . . . . . . . . 65.3 tp -113.08 114.77 27.3 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.859 -0.61 . . . . 0.38 110.834 -179.432 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 590' ' ' ILE . . . . . 0.495 HD12 ' CD2' ' A' ' 576' ' ' TYR . 22.7 mt -102.81 125.21 57.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 N-CA-C 110.142 -0.318 . . . . 0.26 110.142 175.084 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 591' ' ' ARG . . . . . . . . . . . . . 61.5 mtp180 -147.38 165.4 30.32 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 109.835 -0.432 . . . . 2.62 109.835 -176.951 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 592' ' ' MET . . . . . . . . . . . . . 62.6 mtt -82.42 143.84 30.9 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 109.691 -0.485 . . . . 0.34 109.691 177.579 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 593' ' ' SER . . . . . . . . . . . . . 47.6 t -85.55 137.8 32.63 Favored 'General case' 0 C--O 1.236 0.382 0 CA-C-O 121.062 0.458 . . . . 1.37 111.412 -176.149 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 594' ' ' THR . . . . . . . . . . . . . 23.2 p -91.23 -16.4 27.7 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 114.843 -1.072 . . . . 0.38 111.914 -179.227 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 595' ' ' ARG . . . . . 0.652 ' HD3' " H2'" ' B' ' 3' ' ' ' C' . 64.5 mtp180 -100.68 -28.03 13.06 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 112.731 0.641 . . . . 2.75 112.731 -168.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 596' ' ' TYR . . . . . . . . . . . . . 90.7 m-85 -127.43 147.64 50.29 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 121.068 0.461 . . . . 0.65 111.685 -177.297 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 597' ' ' LYS . . . . . 0.483 ' N ' ' HD2' ' A' ' 597' ' ' LYS . 11.7 mptt -107.66 -13.9 14.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.607 -0.724 . . . . 2.18 111.828 178.826 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 598' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -143.24 150.77 39.76 Favored 'General case' 0 C--N 1.326 -0.441 0 C-N-CA 120.65 -0.42 . . . . 0.95 110.968 178.7 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 599' ' ' LEU . . . . . 0.757 HD21 HG13 ' A' ' 521' ' ' VAL . 37.9 mt -102.41 122.75 44.91 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.594 -0.73 . . . . 0.45 111.462 177.101 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 600' ' ' GLN . . . . . . . . . . . . . 24.7 tt0 -103.71 123.57 47.27 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.361 -0.836 . . . . 1.52 110.441 178.941 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 601' ' ' LEU . . . . . 0.654 ' HA ' ' O4 ' ' B' ' 5' ' ' ' U' . 54.9 mt -82.98 97.87 8.95 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.942 0.401 . . . . 0.46 111.304 179.849 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 602' ' ' LYS . . . . . 0.606 ' HE2' ' O2 ' ' B' ' 4' ' ' ' U' . 52.2 mtmt -81.82 -16.61 50.29 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.15 0.5 . . . . 1.73 110.298 173.833 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 603' ' ' LYS . . . . . . . . . . . . . 34.4 mmtp -117.99 153.12 51.04 Favored Pre-proline 0 C--N 1.324 -0.541 0 CA-C-N 115.981 -0.554 . . . . 1.69 110.062 -178.452 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 604' ' ' PRO . . . . . . . . . . . . . 29.8 Cg_endo -63.24 148.78 92.74 Favored 'Trans proline' 0 C--N 1.346 0.43 0 C-N-CA 122.707 2.271 . . . . 1.21 112.276 -179.758 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 605' ' ' GLY . . . . . . . . . . . . . . . -117.26 128.86 8.05 Favored Glycine 0 N--CA 1.439 -1.165 0 C-N-CA 120.802 -0.713 . . . . 1.23 112.271 -177.913 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 606' ' ' LYS . . . . . . . . . . . . . 48.3 mtmt -72.14 156.54 39.07 Favored 'General case' 0 C--N 1.317 -0.835 0 N-CA-C 108.85 -0.796 . . . . 3.47 108.85 174.332 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 607' ' ' ASN . . . . . . . . . . . . . 49.0 t30 -58.33 119.97 7.89 Favored 'General case' 0 C--N 1.327 -0.39 0 C-N-CA 120.514 -0.474 . . . . 1.33 109.847 173.823 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 608' ' ' VAL . . . . . 0.603 HG13 HG21 ' A' ' 538' ' ' ILE . 72.7 t -83.19 -21.04 9.06 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.713 0 CA-C-N 115.801 -0.636 . . . . 0.3 110.635 -175.241 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 609' ' ' ALA . . . . . . . . . . . . . . . -62.09 -33.05 73.7 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.303 0.573 . . . . 0.44 110.364 172.829 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 610' ' ' ALA . . . . . . . . . . . . . . . -66.02 -29.66 70.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.808 -0.633 . . . . 0.4 109.868 176.389 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 611' ' ' ILE . . . . . 0.403 ' O ' ' HB2' ' A' ' 614' ' ' ASP . 74.5 mt -70.6 -30.11 41.11 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 115.607 -0.724 . . . . 0.25 109.466 178.602 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 612' ' ' ILE . . . . . 0.443 ' CG1' HD13 ' A' ' 542' ' ' LEU . 69.8 mt -60.92 -39.49 82.21 Favored 'Isoleucine or valine' 0 C--O 1.235 0.296 0 CA-C-O 121.218 0.532 . . . . 0.31 109.721 171.459 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 613' ' ' GLN . . . . . . . . . . . . . 30.5 mm-40 -63.95 -31.51 72.71 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.719 -0.673 . . . . 2.31 110.303 177.326 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 614' ' ' ASP . . . . . 0.403 ' HB2' ' O ' ' A' ' 611' ' ' ILE . 2.8 m-20 -65.6 -45.47 83.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.793 -0.64 . . . . 1.95 110.254 177.214 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 615' ' ' ILE . . . . . 0.495 HD11 ' HA ' ' A' ' 539' ' ' ASN . 85.6 mt -62.26 -46.14 97.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 115.932 -0.577 . . . . 0.35 110.823 178.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 616' ' ' HIS . . . . . . . . . . . . . 48.7 m170 -63.27 -34.59 78.01 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.736 -0.666 . . . . 1.26 110.912 -179.822 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 617' ' ' SER . . . . . . . . . . . . . 64.8 m -69.3 -25.19 64.11 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.315 -0.402 . . . . 1.18 110.721 176.601 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 618' ' ' GLN . . . . . . . . . . . . . 78.6 mt-30 71.17 -73.48 0.1 Allowed 'General case' 0 N--CA 1.465 0.285 0 CA-C-N 115.68 -0.691 . . . . 4.68 111.119 178.491 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 619' ' ' ARG . . . . . . . . . . . . . 80.1 mtp180 59.05 39.77 22.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.223 0.535 . . . . 7.77 110.755 -179.676 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 620' ' ' GLU . . . . . . . . . . . . . 20.9 mm-40 -73.04 134.05 44.46 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.871 -0.604 . . . . 7.92 109.779 178.773 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 621' ' ' ARG . . . . . . . . . . . . . 81.1 mtp180 . . . . . 0 C--O 1.248 1.017 0 CA-C-O 118.752 -0.642 . . . . 11.0 110.367 -177.628 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 1' ' ' ADN . . . . . 0.565 " H3'" " O4'" ' B' ' 2' ' ' ' U' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 2' ' ' ' U' . . . . . 0.565 " O4'" " H3'" ' B' ' 1' ' ' ADN . . . . . . . . 0 O5'--C5' 1.427 -0.82 0 C4'-C3'-C2' 104.218 1.518 . 0.0 '__' . 2.99 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 3' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.932 0 C4'-C3'-C2' 104.59 1.89 . 0.0 OUTLIER gamma 1.58 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 4' ' ' ' U' . . . . . 0.491 " H4'" " C5'" ' B' ' 5' ' ' ' U' . . . . . . . . 0 O5'--C5' 1.425 -0.921 0 C3'-C2'-C1' 100.753 -0.829 . 0.0 OUTLIER gamma 1.15 . . . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 5' ' ' ' U' . . . . . 0.781 " H4'" ' HA ' ' A' ' 553' ' ' MET . . . . . . . . 0 O5'--C5' 1.424 -0.994 0 C4'-C3'-C2' 104.568 1.868 . 0.0 OUTLIER alpha 1.33 . . . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 6' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.428 -0.76 0 C3'-C2'-C1' 100.503 -1.108 . 0.0 OUTLIER gamma 4.23 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 510' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.85 0 N-CA-C 111.768 -0.533 . . . . 8.88 111.768 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 511' ' ' ALA . . . . . . . . . . . . . . . 61.55 34.89 17.63 Favored 'General case' 0 N--CA 1.463 0.222 0 C-N-CA 122.694 0.398 . . . . 6.64 111.433 178.884 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 512' ' ' MET . . . . . . . . . . . . . 49.8 ttm -104.25 -63.95 1.15 Allowed 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.248 -0.433 . . . . 6.33 110.256 179.521 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 513' ' ' ALA . . . . . . . . . . . . . . . -102.61 84.95 2.5 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.213 -0.449 . . . . 4.2 109.909 178.858 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 514' ' ' GLN . . . . . 0.417 ' HB2' ' HE3' ' A' ' 516' ' ' LYS . 47.1 mt-30 -99.88 -15.95 18.19 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.947 -0.57 . . . . 2.88 111.548 -175.88 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 515' ' ' ARG . . . . . . . . . . . . . 68.3 mtp180 65.69 79.72 0.24 Allowed 'General case' 0 N--CA 1.467 0.384 0 O-C-N 123.574 0.546 . . . . 4.0 111.38 -176.526 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 516' ' ' LYS . . . . . 0.417 ' HE3' ' HB2' ' A' ' 514' ' ' GLN . 23.4 mmtp -84.34 -8.24 59.06 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.7 -0.682 . . . . 1.89 111.032 -178.609 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 517' ' ' GLY . . . . . . . . . . . . . . . -60.24 109.31 2.21 Favored Glycine 0 N--CA 1.449 -0.436 0 CA-C-N 115.803 -0.635 . . . . 2.04 112.768 -177.835 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 518' ' ' ALA . . . . . . . . . . . . . . . 58.64 27.68 16.13 Favored 'General case' 0 N--CA 1.464 0.241 0 C-N-CA 123.099 0.56 . . . . 1.75 111.772 178.888 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 519' ' ' GLY . . . . . . . . . . . . . . . -172.57 94.79 0.1 Allowed Glycine 0 N--CA 1.445 -0.735 0 C-N-CA 120.627 -0.796 . . . . 0.67 111.94 -179.884 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 520' ' ' ARG . . . . . . . . . . . . . 8.6 mtm-85 -115.6 135.74 53.77 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 121.075 0.464 . . . . 2.22 110.54 178.552 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 521' ' ' VAL . . . . . 0.648 HG13 HD21 ' A' ' 599' ' ' LEU . 86.2 t -117.36 121.6 68.0 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.007 0 CA-C-N 115.664 -0.698 . . . . 0.32 110.168 169.355 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 522' ' ' VAL . . . . . 0.468 ' HB ' ' O ' ' A' ' 561' ' ' LEU . 23.8 t -120.31 121.03 64.61 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.856 0 N-CA-C 107.724 -1.213 . . . . 0.22 107.724 178.306 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 523' ' ' HIS . . . . . 0.464 ' HB2' ' OG ' ' A' ' 593' ' ' SER . 55.1 t-80 -105.75 134.62 48.58 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-O 121.163 0.506 . . . . 0.44 110.747 -172.962 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 524' ' ' ILE . . . . . 0.482 HD11 HD22 ' A' ' 561' ' ' LEU . 28.1 mt -113.68 140.07 35.97 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.877 0 N-CA-C 108.431 -0.951 . . . . 0.19 108.431 177.488 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 525' ' ' CYS . . . . . 0.539 ' SG ' ' HB3' ' A' ' 589' ' ' LEU . 4.1 p -140.0 166.22 25.23 Favored 'General case' 0 C--N 1.314 -0.943 0 C-N-CA 120.503 -0.479 . . . . 1.17 111.669 -175.921 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 526' ' ' ASN . . . . . 0.486 ' HB2' ' O ' ' A' ' 525' ' ' CYS . 92.9 m-20 86.73 28.0 0.04 OUTLIER 'General case' 0 N--CA 1.471 0.593 0 O-C-N 124.991 1.432 . . . . 0.26 109.984 177.316 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 527' ' ' LEU . . . . . 0.559 ' HB3' ' SG ' ' A' ' 532' ' ' CYS . 81.0 mt -90.1 123.77 65.05 Favored Pre-proline 0 C--N 1.323 -0.57 0 CA-C-N 115.274 -0.875 . . . . 0.25 109.057 177.938 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 528' ' ' PRO . . . . . 0.427 ' HD3' ' HA ' ' A' ' 527' ' ' LEU . 8.3 Cg_exo -73.05 134.55 21.55 Favored 'Trans proline' 0 N--CA 1.46 -0.489 0 C-N-CA 121.733 1.622 . . . . 0.38 111.978 179.773 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 529' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -65.53 129.34 39.4 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 109.348 -0.612 . . . . 1.6 109.348 178.249 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 530' ' ' GLY . . . . . . . . . . . . . . . 94.88 4.2 61.79 Favored Glycine 0 N--CA 1.448 -0.523 0 C-N-CA 120.176 -1.011 . . . . 0.48 110.95 -172.569 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 531' ' ' SER . . . . . . . . . . . . . 64.8 m -150.36 9.81 0.65 Allowed 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.13 0.49 . . . . 1.08 110.309 -178.499 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 532' ' ' CYS . . . . . 0.559 ' SG ' ' HB3' ' A' ' 527' ' ' LEU . 41.4 m -92.21 85.95 5.61 Favored 'General case' 0 CA--C 1.513 -0.449 0 N-CA-C 108.51 -0.922 . . . . 0.25 108.51 177.115 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 533' ' ' THR . . . . . 0.466 ' O ' HG23 ' A' ' 537' ' ' VAL . 28.3 p -96.19 152.91 18.12 Favored 'General case' 0 N--CA 1.441 -0.89 0 C-N-CA 119.601 -0.84 . . . . 0.35 108.848 -178.246 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 534' ' ' GLU . . . . . 0.518 ' HA ' HD11 ' A' ' 552' ' ' LEU . 43.9 mt-10 -65.11 -34.79 79.24 Favored 'General case' 0 C--N 1.317 -0.837 0 N-CA-C 108.671 -0.863 . . . . 1.64 108.671 176.562 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 535' ' ' ASN . . . . . . . . . . . . . 4.6 m-20 -63.94 -48.29 77.11 Favored 'General case' 0 C--O 1.211 -0.964 0 CA-C-N 114.629 -1.169 . . . . 1.82 111.513 -176.68 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 536' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -69.88 -45.28 68.01 Favored 'General case' 0 N--CA 1.475 0.78 0 CA-C-N 118.604 0.638 . . . . 0.61 111.411 -173.878 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 537' ' ' VAL . . . . . 0.466 HG23 ' O ' ' A' ' 533' ' ' THR . 39.2 t -59.77 -47.89 89.64 Favored 'Isoleucine or valine' 0 C--O 1.243 0.712 0 CA-C-O 122.269 1.033 . . . . 0.15 110.039 -179.453 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 538' ' ' ILE . . . . . 0.621 HG21 HG13 ' A' ' 608' ' ' VAL . 72.6 mt -68.51 -32.25 54.54 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.904 0 CA-C-N 115.013 -0.994 . . . . 0.23 111.409 176.129 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 539' ' ' ASN . . . . . 0.473 ' HA ' HD11 ' A' ' 615' ' ' ILE . 94.1 m-20 -57.38 -27.88 62.7 Favored 'General case' 0 CA--C 1.513 -0.479 0 N-CA-C 109.98 -0.378 . . . . 0.25 109.98 175.495 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 540' ' ' LEU . . . . . 0.548 HD11 HD12 ' A' ' 588' ' ' LEU . 76.6 mt -75.35 -41.61 56.19 Favored 'General case' 0 C--N 1.32 -0.675 0 C-N-CA 120.722 -0.391 . . . . 0.27 109.993 175.366 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 541' ' ' GLY . . . . . 0.595 ' HA2' ' SD ' ' A' ' 572' ' ' MET . . . -67.3 -51.87 35.12 Favored Glycine 0 CA--C 1.528 0.851 0 N-CA-C 116.034 1.174 . . . . 0.19 116.034 -179.02 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 542' ' ' LEU . . . . . 0.539 ' HB2' ' CD1' ' A' ' 615' ' ' ILE . 62.1 mt -59.98 -40.91 82.01 Favored Pre-proline 0 C--N 1.318 -0.774 0 N-CA-C 115.443 1.645 . . . . 0.2 115.443 -167.768 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 543' ' ' PRO . . . . . 0.411 ' HG3' HG21 ' A' ' 615' ' ' ILE . 50.3 Cg_exo -60.11 -22.96 71.92 Favored 'Trans proline' 0 CA--C 1.534 0.512 0 C-N-CA 121.787 1.658 . . . . 0.23 113.574 -178.656 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 544' ' ' PHE . . . . . . . . . . . . . 92.6 m-85 -104.41 -13.52 16.05 Favored 'General case' 0 C--O 1.234 0.262 0 O-C-N 122.07 -0.394 . . . . 0.33 111.941 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 545' ' ' GLY . . . . . 0.504 ' O ' ' HA ' ' A' ' 542' ' ' LEU . . . -178.04 -174.63 44.52 Favored Glycine 0 C--O 1.225 -0.453 0 C-N-CA 120.573 -0.822 . . . . 0.44 112.292 -177.29 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 546' ' ' LYS . . . . . . . . . . . . . 63.2 tttp -95.7 122.97 39.03 Favored 'General case' 0 C--N 1.321 -0.659 0 O-C-N 122.304 -0.527 . . . . 2.07 110.107 -177.443 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 547' ' ' VAL . . . . . 0.59 ' HB ' HG11 ' A' ' 608' ' ' VAL . 77.2 t -85.18 114.26 24.98 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-O 120.915 0.388 . . . . 0.2 109.973 175.72 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 548' ' ' THR . . . . . . . . . . . . . 25.0 p -98.04 -35.02 10.57 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.993 -0.548 . . . . 0.31 111.598 179.384 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 549' ' ' ASN . . . . . 0.426 ' HB2' ' CB ' ' A' ' 562' ' ' GLU . 90.8 m-20 -141.87 153.58 44.54 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.082 -0.508 . . . . 1.26 109.751 -178.917 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 550' ' ' TYR . . . . . 0.594 ' CG ' HD11 ' A' ' 538' ' ' ILE . 3.3 p90 -157.03 151.93 25.9 Favored 'General case' 0 C--N 1.318 -0.761 0 N-CA-C 109.451 -0.574 . . . . 0.31 109.451 -178.692 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 551' ' ' ILE . . . . . 0.665 HG23 ' C2 ' ' B' ' 5' ' ' ' U' . 66.7 mt -141.35 123.73 14.67 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 N-CA-C 108.349 -0.982 . . . . 0.22 108.349 -177.4 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 552' ' ' LEU . . . . . 0.518 HD11 ' HA ' ' A' ' 534' ' ' GLU . 19.7 mt -107.23 119.24 38.84 Favored 'General case' 0 C--N 1.315 -0.897 0 C-N-CA 120.192 -0.603 . . . . 0.43 111.449 -177.493 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 553' ' ' MET . . . . . 0.781 ' HA ' " H4'" ' B' ' 5' ' ' ' U' . 22.4 mtp -109.94 79.51 1.22 Allowed 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 108.708 -0.849 . . . . 1.03 108.708 -178.09 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 554' ' ' LYS . . . . . 0.539 ' HD2' ' HB2' ' A' ' 532' ' ' CYS . 20.7 mmtp -53.98 -31.13 49.86 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 114.824 -1.08 . . . . 1.03 112.861 176.062 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 555' ' ' SER . . . . . . . . . . . . . 66.8 p -70.14 -45.34 66.99 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 120.899 0.38 . . . . 0.51 111.63 -172.797 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 556' ' ' THR . . . . . 0.468 ' O ' ' HG3' ' A' ' 558' ' ' GLN . 44.8 p -98.72 6.94 46.62 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.398 -0.365 . . . . 0.45 111.797 -174.508 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 557' ' ' ASN . . . . . . . . . . . . . 18.7 m120 59.95 39.8 19.71 Favored 'General case' 0 C--O 1.237 0.426 0 CA-C-O 121.642 0.734 . . . . 1.28 110.252 -177.828 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 558' ' ' GLN . . . . . 0.468 ' HG3' ' O ' ' A' ' 556' ' ' THR . 41.9 mt-30 -135.36 166.39 23.25 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.128 -0.942 . . . . 0.84 109.972 -176.033 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 559' ' ' ALA . . . . . . . . . . . . . . . -159.1 164.19 35.53 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.922 0.392 . . . . 0.16 111.177 174.807 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 560' ' ' PHE . . . . . 0.559 ' HB2' ' HB ' ' A' ' 551' ' ' ILE . 93.9 m-85 -120.0 148.11 43.96 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.235 -0.439 . . . . 0.35 110.619 176.277 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 561' ' ' LEU . . . . . 0.482 HD22 HD11 ' A' ' 524' ' ' ILE . 50.2 tp -136.9 118.99 15.41 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.769 -0.65 . . . . 0.2 110.047 -178.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 562' ' ' GLU . . . . . 0.426 ' CB ' ' HB2' ' A' ' 549' ' ' ASN . 0.2 OUTLIER -100.93 135.9 41.65 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.234 0.54 . . . . 2.09 109.99 177.586 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 563' ' ' MET . . . . . 0.663 ' SD ' ' HA ' ' A' ' 569' ' ' ALA . 34.0 mtt -124.15 142.37 51.28 Favored 'General case' 0 C--N 1.315 -0.913 0 CA-C-N 115.154 -0.93 . . . . 0.39 108.789 -172.947 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 564' ' ' ALA . . . . . . . . . . . . . . . -59.88 -26.86 66.21 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 112.69 0.626 . . . . 0.5 112.69 -168.683 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 565' ' ' TYR . . . . . . . . . . . . . 89.5 m-85 -141.2 155.7 46.02 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.208 0.528 . . . . 1.15 110.99 179.297 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 566' ' ' THR . . . . . . . . . . . . . 14.7 t -64.82 -26.89 68.53 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.278 -0.873 . . . . 0.57 110.699 -179.207 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 567' ' ' GLU . . . . . 0.425 ' HA ' ' OE1' ' A' ' 570' ' ' GLN . 6.4 pt-20 -57.91 -33.29 68.61 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-N 115.934 -0.575 . . . . 0.89 111.005 177.018 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 568' ' ' ALA . . . . . 0.668 ' O ' ' HG3' ' A' ' 572' ' ' MET . . . -73.78 -43.6 58.45 Favored 'General case' 0 N--CA 1.449 -0.495 0 CA-C-N 115.963 -0.562 . . . . 0.26 110.301 -177.669 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 569' ' ' ALA . . . . . 0.663 ' HA ' ' SD ' ' A' ' 563' ' ' MET . . . -62.02 -45.2 94.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.88 -0.6 . . . . 0.24 111.25 -175.959 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 570' ' ' GLN . . . . . 0.425 ' OE1' ' HA ' ' A' ' 567' ' ' GLU . 4.9 pt20 -67.54 -38.78 84.69 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.265 -0.425 . . . . 1.24 110.835 -178.261 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 571' ' ' ALA . . . . . . . . . . . . . . . -64.64 -44.25 91.06 Favored 'General case' 0 N--CA 1.453 -0.296 0 CA-C-N 116.275 -0.42 . . . . 0.31 111.185 -177.923 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 572' ' ' MET . . . . . 0.668 ' HG3' ' O ' ' A' ' 568' ' ' ALA . 26.1 mtt -68.44 -43.77 76.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.233 -0.439 . . . . 0.47 110.617 -178.24 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 573' ' ' VAL . . . . . 0.694 ' O ' ' HG2' ' A' ' 577' ' ' GLN . 71.6 t -58.68 -46.76 90.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 N-CA-C 110.049 -0.352 . . . . 0.34 110.049 178.629 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 574' ' ' GLN . . . . . . . . . . . . . 99.2 mt-30 -60.97 -37.08 81.19 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.933 0.396 . . . . 2.09 110.971 179.331 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 575' ' ' TYR . . . . . . . . . . . . . 78.3 t80 -69.45 -53.83 17.33 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.205 -0.452 . . . . 0.48 111.167 -178.485 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 576' ' ' TYR . . . . . 0.474 ' CD2' HD12 ' A' ' 590' ' ' ILE . 97.0 m-85 -76.68 -13.29 60.06 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 113.089 0.774 . . . . 0.36 113.089 -173.661 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 577' ' ' GLN . . . . . 0.694 ' HG2' ' O ' ' A' ' 573' ' ' VAL . 82.1 mm-40 -68.28 -42.03 80.13 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 109.275 -0.639 . . . . 1.89 109.275 171.821 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 578' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -88.17 -38.49 15.29 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.893 -0.594 . . . . 2.14 111.467 178.508 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 579' ' ' LYS . . . . . . . . . . . . . 62.9 mttp -130.74 84.39 58.79 Favored Pre-proline 0 C--N 1.327 -0.397 0 CA-C-O 120.7 0.286 . . . . 2.46 110.779 179.525 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 580' ' ' PRO . . . . . . . . . . . . . 48.2 Cg_endo -69.67 161.37 46.16 Favored 'Trans proline' 0 C--O 1.233 0.234 0 C-N-CA 122.845 2.363 . . . . 0.37 112.113 179.232 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 581' ' ' ALA . . . . . 0.411 ' O ' ' HG ' ' A' ' 588' ' ' LEU . . . -92.32 140.33 29.71 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.278 -0.419 . . . . 0.27 109.959 -178.251 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 582' ' ' ILE . . . . . . . . . . . . . 45.1 mt -100.14 124.41 53.59 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.769 0 CA-C-O 120.862 0.363 . . . . 0.51 111.762 -175.15 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 583' ' ' ILE . . . . . 0.417 ' CG1' HD11 ' A' ' 588' ' ' LEU . 33.2 mm -132.14 115.38 26.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 115.841 -0.618 . . . . 0.51 109.368 173.456 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 584' ' ' ASN . . . . . . . . . . . . . 83.1 m-20 56.8 33.35 22.89 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-O 121.093 0.473 . . . . 1.1 110.764 -178.294 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 585' ' ' GLY . . . . . . . . . . . . . . . 83.39 5.54 88.57 Favored Glycine 0 N--CA 1.447 -0.63 0 CA-C-N 115.761 -0.654 . . . . 0.44 113.258 176.827 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 586' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -110.68 127.92 55.49 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 117.025 0.413 . . . . 1.79 110.895 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 587' ' ' LYS . . . . . . . . . . . . . 32.2 mmtp -72.73 123.25 22.92 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.509 -0.768 . . . . 1.67 111.236 179.19 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 588' ' ' LEU . . . . . 0.548 HD12 HD11 ' A' ' 540' ' ' LEU . 47.3 mt -81.6 134.3 35.48 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 120.885 0.374 . . . . 0.24 110.598 178.907 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 589' ' ' LEU . . . . . 0.539 ' HB3' ' SG ' ' A' ' 525' ' ' CYS . 46.4 tp -112.85 113.46 25.55 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.869 -0.605 . . . . 0.38 110.896 -176.667 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 590' ' ' ILE . . . . . 0.474 HD12 ' CD2' ' A' ' 576' ' ' TYR . 17.2 mt -100.76 127.45 53.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.504 -0.316 . . . . 0.26 110.302 177.483 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 591' ' ' ARG . . . . . . . . . . . . . 18.5 mtp180 -147.36 162.61 38.62 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-N 116.407 -0.36 . . . . 2.62 110.595 -177.356 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 592' ' ' MET . . . . . . . . . . . . . 63.9 mtt -83.84 133.34 34.75 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 109.871 -0.418 . . . . 0.34 109.871 176.733 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 593' ' ' SER . . . . . 0.464 ' OG ' ' HB2' ' A' ' 523' ' ' HIS . 69.7 m -77.29 135.31 38.41 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.726 0.774 . . . . 1.37 112.366 -175.141 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 594' ' ' THR . . . . . . . . . . . . . 17.5 p -89.52 -15.89 31.95 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 114.707 -1.133 . . . . 0.38 111.624 -179.591 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 595' ' ' ARG . . . . . . . . . . . . . 60.7 mtp180 -101.65 -28.33 12.56 Favored 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 112.867 0.691 . . . . 2.75 112.867 -170.524 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 596' ' ' TYR . . . . . . . . . . . . . 71.3 m-85 -126.19 141.99 51.7 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.254 0.55 . . . . 0.65 112.225 -175.652 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 597' ' ' LYS . . . . . 0.468 ' N ' ' HD2' ' A' ' 597' ' ' LYS . 0.5 OUTLIER -110.02 -6.35 15.18 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 114.913 -1.04 . . . . 2.18 111.489 177.69 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 598' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -142.0 151.38 42.43 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.033 0.444 . . . . 0.95 110.996 -176.334 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 599' ' ' LEU . . . . . 0.648 HD21 HG13 ' A' ' 521' ' ' VAL . 54.0 mt -123.65 121.19 34.91 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.368 -0.833 . . . . 0.45 110.159 177.642 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 600' ' ' GLN . . . . . . . . . . . . . 35.3 tt0 -111.87 123.94 51.32 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 116.12 -0.491 . . . . 1.52 109.877 177.719 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 601' ' ' LEU . . . . . 0.566 ' HA ' ' O4 ' ' B' ' 5' ' ' ' U' . 48.2 mt -75.9 90.06 2.94 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.973 0.416 . . . . 0.46 110.824 -179.685 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 602' ' ' LYS . . . . . . . . . . . . . 93.9 mttt -73.77 -13.76 61.0 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.866 -0.606 . . . . 1.73 110.538 178.36 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 603' ' ' LYS . . . . . . . . . . . . . 34.7 mmtp -122.41 155.61 61.97 Favored Pre-proline 0 C--N 1.325 -0.491 0 CA-C-N 115.862 -0.608 . . . . 1.69 109.82 -179.64 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 604' ' ' PRO . . . . . . . . . . . . . 19.3 Cg_endo -59.08 141.86 98.67 Favored 'Trans proline' 0 C--N 1.348 0.506 0 C-N-CA 122.832 2.354 . . . . 1.21 112.655 179.688 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 605' ' ' GLY . . . . . . . . . . . . . . . -129.4 117.79 2.49 Favored Glycine 0 N--CA 1.444 -0.797 0 CA-C-N 115.753 -0.658 . . . . 1.23 111.662 -178.774 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 606' ' ' LYS . . . . . . . . . . . . . 22.9 pttm -72.3 167.52 20.24 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.632 0.253 . . . . 3.47 110.561 -179.721 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 607' ' ' ASN . . . . . . . . . . . . . 25.5 t-20 -58.09 130.36 46.25 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.166 0.508 . . . . 1.33 111.007 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 608' ' ' VAL . . . . . 0.621 HG13 HG21 ' A' ' 538' ' ' ILE . 73.6 t -91.46 -23.67 5.77 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 CA-C-N 115.591 -0.731 . . . . 0.3 111.302 -175.084 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 609' ' ' ALA . . . . . . . . . . . . . . . -60.46 -33.2 72.22 Favored 'General case' 0 C--O 1.237 0.414 0 CA-C-O 121.411 0.624 . . . . 0.44 110.99 176.463 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 610' ' ' ALA . . . . . . . . . . . . . . . -63.31 -28.58 70.11 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.813 -0.63 . . . . 0.4 110.35 176.377 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 611' ' ' ILE . . . . . 0.401 ' O ' HG13 ' A' ' 615' ' ' ILE . 76.7 mt -71.67 -29.33 33.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 115.773 -0.648 . . . . 0.25 109.711 178.289 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 612' ' ' ILE . . . . . 0.534 ' CG1' HD13 ' A' ' 542' ' ' LEU . 65.0 mt -60.44 -43.53 94.31 Favored 'Isoleucine or valine' 0 C--O 1.233 0.236 0 N-CA-C 109.561 -0.533 . . . . 0.31 109.561 172.218 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 613' ' ' GLN . . . . . . . . . . . . . 26.1 mm-40 -64.38 -32.25 73.79 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.455 -0.793 . . . . 2.31 109.854 177.207 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 614' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -66.09 -43.75 86.42 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.062 -0.972 . . . . 1.95 110.445 178.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 615' ' ' ILE . . . . . 0.539 ' CD1' ' HB2' ' A' ' 542' ' ' LEU . 85.3 mt -62.69 -47.7 91.64 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 115.981 -0.554 . . . . 0.35 110.736 177.382 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 616' ' ' HIS . . . . . . . . . . . . . 61.8 m170 -64.74 -35.41 80.98 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.448 -0.796 . . . . 1.26 111.226 -178.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 617' ' ' SER . . . . . . . . . . . . . 33.8 t -74.6 -36.09 62.97 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.729 0.3 . . . . 1.18 111.16 179.446 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 618' ' ' GLN . . . . . . . . . . . . . 52.3 mt-30 66.71 15.42 10.12 Favored 'General case' 0 N--CA 1.469 0.504 0 CA-C-N 115.626 -0.715 . . . . 4.68 111.66 179.19 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 619' ' ' ARG . . . . . . . . . . . . . 43.7 mtp-105 -108.53 97.42 7.09 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.988 -0.551 . . . . 7.77 109.889 177.677 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 620' ' ' GLU . . . . . 0.474 ' H ' ' CD ' ' A' ' 620' ' ' GLU . 0.6 OUTLIER -78.82 66.68 4.36 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.685 0.755 . . . . 7.92 110.531 -178.163 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 621' ' ' ARG . . . . . . . . . . . . . 19.0 ttm180 . . . . . 0 C--O 1.249 1.073 0 CA-C-N 115.54 -0.755 . . . . 11.0 110.063 -178.144 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 1' ' ' ADN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 2' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.914 0 C4'-C3'-C2' 103.688 0.988 . 0.0 '__' . 2.99 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 3' ' ' ' C' . . . . . 0.443 " H2'" ' HD2' ' A' ' 595' ' ' ARG . . . . . . . . 0 O5'--C5' 1.425 -0.962 0 C4'-C3'-C2' 104.277 1.577 . 0.0 OUTLIER . 1.58 . . . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 4' ' ' ' U' . . . . . 0.411 " O5'" ' HE3' ' A' ' 553' ' ' MET . . . . . . . . 0 O5'--C5' 1.426 -0.894 0 C3'-C2'-C1' 100.07 -1.589 . 0.0 OUTLIER . 1.15 . . . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 5' ' ' ' U' . . . . . 0.716 " H4'" ' HA ' ' A' ' 553' ' ' MET . . . . . . . . 0 O5'--C5' 1.424 -1.026 0 C4'-C3'-C2' 104.071 1.371 . 0.414 4b . 1.33 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 6' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.813 0 C3'-C2'-C1' 100.277 -1.359 . 0.0 OUTLIER . 4.23 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 510' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.844 0 N-CA-C 112.631 -0.187 . . . . 8.88 112.631 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 511' ' ' ALA . . . . . . . . . . . . . . . -85.69 122.13 29.34 Favored 'General case' 0 C--N 1.328 -0.348 0 O-C-N 122.553 -0.381 . . . . 6.64 111.034 -178.832 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 512' ' ' MET . . . . . . . . . . . . . 1.8 pmm? -80.94 -19.41 44.28 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.15 -0.477 . . . . 6.33 110.303 179.599 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 513' ' ' ALA . . . . . . . . . . . . . . . -139.5 155.67 47.4 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.661 -0.7 . . . . 4.2 109.27 178.597 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 514' ' ' GLN . . . . . . . . . . . . . 68.7 mm-40 66.29 112.9 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.286 0 O-C-N 123.845 0.716 . . . . 2.88 111.47 -177.165 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 515' ' ' ARG . . . . . . . . . . . . . 21.2 mtp180 -70.46 122.17 19.14 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 116.019 -0.537 . . . . 4.0 110.406 -179.784 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 516' ' ' LYS . . . . . . . . . . . . . 41.3 mmtm -137.72 46.03 2.12 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.143 -0.48 . . . . 1.89 110.529 -179.261 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 517' ' ' GLY . . . . . . . . . . . . . . . -103.66 -86.58 1.95 Allowed Glycine 0 N--CA 1.451 -0.31 0 N-CA-C 111.192 -0.763 . . . . 2.04 111.192 175.798 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 518' ' ' ALA . . . . . . . . . . . . . . . -89.0 91.8 8.98 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 109.183 -0.673 . . . . 1.75 109.183 173.064 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 519' ' ' GLY . . . . . . . . . . . . . . . 109.69 103.69 2.82 Favored Glycine 0 N--CA 1.447 -0.607 0 N-CA-C 110.155 -1.178 . . . . 0.67 110.155 -171.86 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 520' ' ' ARG . . . . . 0.736 ' NH1' ' HA ' ' A' ' 566' ' ' THR . 6.0 mtm105 -134.78 137.33 43.3 Favored 'General case' 0 N--CA 1.45 -0.467 0 CA-C-O 121.019 0.437 . . . . 2.22 111.175 -177.571 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 521' ' ' VAL . . . . . 0.846 HG13 HD21 ' A' ' 599' ' ' LEU . 84.8 t -117.11 124.07 72.57 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 CA-C-N 115.67 -0.695 . . . . 0.32 110.9 169.349 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 522' ' ' VAL . . . . . 0.593 ' HB ' ' O ' ' A' ' 561' ' ' LEU . 25.2 t -120.2 121.62 66.22 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 N-CA-C 108.142 -1.058 . . . . 0.22 108.142 173.668 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 523' ' ' HIS . . . . . 0.472 ' HB2' ' OG ' ' A' ' 593' ' ' SER . 47.5 t-80 -105.68 132.59 51.63 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 121.258 0.551 . . . . 0.44 110.842 -173.527 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 524' ' ' ILE . . . . . 0.46 HG23 HG12 ' A' ' 590' ' ' ILE . 29.3 mt -111.11 141.4 26.59 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.931 0 N-CA-C 107.984 -1.117 . . . . 0.19 107.984 176.149 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 525' ' ' CYS . . . . . 0.496 ' SG ' ' HB3' ' A' ' 589' ' ' LEU . 3.2 p -144.53 166.32 25.47 Favored 'General case' 0 C--N 1.309 -1.163 0 C-N-CA 120.226 -0.59 . . . . 1.17 111.787 -176.47 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 526' ' ' ASN . . . . . 0.47 ' HB2' ' O ' ' A' ' 525' ' ' CYS . 92.9 m-20 83.47 31.14 0.07 Allowed 'General case' 0 N--CA 1.465 0.315 0 O-C-N 124.827 1.329 . . . . 0.26 110.335 177.603 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 527' ' ' LEU . . . . . 0.432 ' HA ' ' HD3' ' A' ' 528' ' ' PRO . 80.0 mt -85.43 133.87 41.42 Favored Pre-proline 0 C--N 1.325 -0.481 0 CA-C-N 115.281 -0.872 . . . . 0.25 108.697 175.888 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 528' ' ' PRO . . . . . 0.442 ' HB2' ' HB2' ' A' ' 531' ' ' SER . 6.1 Cg_exo -73.84 134.38 19.83 Favored 'Trans proline' 0 N--CA 1.456 -0.732 0 C-N-CA 121.266 1.311 . . . . 0.38 111.489 -178.636 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 529' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -65.13 135.54 55.63 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.89 -0.596 . . . . 1.6 109.735 178.817 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 530' ' ' GLY . . . . . . . . . . . . . . . 82.27 3.04 90.69 Favored Glycine 0 N--CA 1.448 -0.509 0 C-N-CA 120.443 -0.885 . . . . 0.48 111.795 -173.477 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 531' ' ' SER . . . . . 0.442 ' HB2' ' HB2' ' A' ' 528' ' ' PRO . 48.8 m -142.28 15.08 2.03 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.165 0.507 . . . . 1.08 110.095 -176.161 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 532' ' ' CYS . . . . . . . . . . . . . 57.5 m -92.45 90.65 7.28 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 108.94 -0.763 . . . . 0.25 108.94 179.131 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 533' ' ' THR . . . . . 0.562 ' O ' HG23 ' A' ' 537' ' ' VAL . 29.8 p -98.41 149.13 22.99 Favored 'General case' 0 N--CA 1.445 -0.698 0 N-CA-C 108.765 -0.828 . . . . 0.35 108.765 -179.919 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 534' ' ' GLU . . . . . 0.526 ' N ' HD11 ' A' ' 552' ' ' LEU . 41.3 mt-10 -67.75 -34.54 77.03 Favored 'General case' 0 C--N 1.317 -0.805 0 N-CA-C 109.048 -0.723 . . . . 1.64 109.048 176.537 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 535' ' ' ASN . . . . . . . . . . . . . 26.1 t-20 -62.87 -49.07 76.3 Favored 'General case' 0 N--CA 1.446 -0.652 0 CA-C-N 114.293 -1.321 . . . . 1.82 111.6 -175.524 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 536' ' ' ASP . . . . . . . . . . . . . 17.5 m-20 -70.19 -41.93 73.06 Favored 'General case' 0 N--CA 1.472 0.648 0 CA-C-N 118.338 0.517 . . . . 0.61 111.16 -175.794 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 537' ' ' VAL . . . . . 0.562 HG23 ' O ' ' A' ' 533' ' ' THR . 44.0 t -60.06 -47.95 89.84 Favored 'Isoleucine or valine' 0 C--O 1.242 0.695 0 CA-C-N 115.205 -0.907 . . . . 0.15 109.809 179.898 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 538' ' ' ILE . . . . . 0.659 HD11 ' CG ' ' A' ' 550' ' ' TYR . 54.1 mt -68.54 -34.34 64.85 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 CA-C-N 115.503 -0.771 . . . . 0.23 111.565 176.336 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 539' ' ' ASN . . . . . 0.586 ' HA ' HD11 ' A' ' 615' ' ' ILE . 97.5 m-20 -58.61 -26.39 63.64 Favored 'General case' 0 N--CA 1.467 0.4 0 O-C-N 122.203 -0.31 . . . . 0.25 110.473 177.515 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 540' ' ' LEU . . . . . 0.475 HD11 HD12 ' A' ' 588' ' ' LEU . 93.4 mt -75.62 -41.16 55.09 Favored 'General case' 0 C--N 1.323 -0.572 0 C-N-CA 120.781 -0.367 . . . . 0.27 110.276 173.4 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 541' ' ' GLY . . . . . 0.487 ' HA3' HD21 ' A' ' 561' ' ' LEU . . . -64.87 -52.72 39.5 Favored Glycine 0 CA--C 1.524 0.627 0 N-CA-C 115.589 0.996 . . . . 0.19 115.589 179.657 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 542' ' ' LEU . . . . . 0.548 ' HB2' ' CD1' ' A' ' 615' ' ' ILE . 61.0 mt -58.14 -44.37 99.2 Favored Pre-proline 0 C--N 1.32 -0.677 0 N-CA-C 115.099 1.518 . . . . 0.2 115.099 -167.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 543' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -58.88 -26.68 81.82 Favored 'Trans proline' 0 C--N 1.347 0.486 0 C-N-CA 122.119 1.88 . . . . 0.23 113.492 -179.07 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 544' ' ' PHE . . . . . 0.507 ' HB2' ' HE2' ' A' ' 572' ' ' MET . 97.8 m-85 -101.25 -12.01 19.04 Favored 'General case' 0 C--N 1.331 -0.227 0 O-C-N 122.193 -0.317 . . . . 0.33 111.412 178.661 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 545' ' ' GLY . . . . . 0.546 ' O ' ' HA ' ' A' ' 542' ' ' LEU . . . 174.81 151.7 8.65 Favored Glycine 0 N--CA 1.449 -0.497 0 C-N-CA 120.706 -0.759 . . . . 0.44 112.182 -179.678 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 546' ' ' LYS . . . . . . . . . . . . . 63.1 tttm -66.53 127.44 32.35 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.037 0.446 . . . . 2.07 110.747 -178.416 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 547' ' ' VAL . . . . . 0.572 ' HB ' HG11 ' A' ' 608' ' ' VAL . 70.2 t -87.85 115.82 28.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 115.443 -0.799 . . . . 0.2 110.222 -179.942 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 548' ' ' THR . . . . . . . . . . . . . 22.8 p -97.67 -33.84 11.16 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-N 115.856 -0.611 . . . . 0.31 111.698 -179.645 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 549' ' ' ASN . . . . . 0.467 ' HB2' ' HB2' ' A' ' 562' ' ' GLU . 22.0 m-80 -142.83 149.33 38.45 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 109.966 -0.383 . . . . 1.26 109.966 -178.5 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 550' ' ' TYR . . . . . 0.659 ' CG ' HD11 ' A' ' 538' ' ' ILE . 4.7 p90 -156.37 150.77 25.56 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 116.202 -0.454 . . . . 0.31 109.89 -179.729 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 551' ' ' ILE . . . . . 0.621 HG23 ' C2 ' ' B' ' 5' ' ' ' U' . 69.1 mt -144.74 124.31 6.86 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 N-CA-C 107.922 -1.14 . . . . 0.22 107.922 -175.454 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 552' ' ' LEU . . . . . 0.526 HD11 ' N ' ' A' ' 534' ' ' GLU . 28.9 mt -106.35 117.39 33.92 Favored 'General case' 0 C--N 1.312 -1.038 0 C-N-CA 119.556 -0.858 . . . . 0.43 110.264 -179.758 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 553' ' ' MET . . . . . 0.716 ' HA ' " H4'" ' B' ' 5' ' ' ' U' . 35.5 mtp -98.15 80.78 2.72 Favored 'General case' 0 C--N 1.317 -0.841 0 N-CA-C 108.353 -0.98 . . . . 1.03 108.353 -176.868 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 554' ' ' LYS . . . . . . . . . . . . . 19.8 mmtm -54.17 -29.14 44.5 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 114.785 -1.098 . . . . 1.03 112.793 177.886 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 555' ' ' SER . . . . . . . . . . . . . 67.1 p -69.58 -45.3 68.98 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 111.746 0.276 . . . . 0.51 111.746 -174.008 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 556' ' ' THR . . . . . . . . . . . . . 44.5 p -102.12 8.32 40.78 Favored 'General case' 0 C--O 1.236 0.342 0 N-CA-C 113.052 0.76 . . . . 0.45 113.052 -173.554 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 557' ' ' ASN . . . . . . . . . . . . . 43.5 m-80 60.29 41.24 16.75 Favored 'General case' 0 N--CA 1.473 0.701 0 CA-C-O 121.787 0.804 . . . . 1.28 110.158 -176.427 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 558' ' ' GLN . . . . . 0.431 ' HB3' ' HE2' ' A' ' 523' ' ' HIS . 77.3 mt-30 -136.62 168.44 19.5 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 114.994 -1.003 . . . . 0.84 109.855 -174.86 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 559' ' ' ALA . . . . . 0.409 ' HB1' HD23 ' A' ' 552' ' ' LEU . . . -159.2 166.03 32.31 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.989 0.424 . . . . 0.16 111.491 177.175 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 560' ' ' PHE . . . . . 0.521 ' HB2' ' HB ' ' A' ' 551' ' ' ILE . 86.1 m-85 -120.68 146.66 46.2 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 116.102 -0.499 . . . . 0.35 110.774 176.262 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 561' ' ' LEU . . . . . 0.593 ' O ' ' HB ' ' A' ' 522' ' ' VAL . 46.1 tp -138.49 118.13 13.06 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.896 -0.593 . . . . 0.2 110.351 -179.905 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 562' ' ' GLU . . . . . 0.467 ' HB2' ' HB2' ' A' ' 549' ' ' ASN . 0.0 OUTLIER -105.02 137.63 42.47 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.389 0.614 . . . . 2.09 110.43 178.099 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 563' ' ' MET . . . . . 0.452 ' H ' HH21 ' A' ' 520' ' ' ARG . 2.7 mtt -124.45 151.29 44.71 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 115.077 -0.965 . . . . 0.39 109.309 -171.382 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 564' ' ' ALA . . . . . . . . . . . . . . . -71.2 -17.46 62.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.803 0.335 . . . . 0.5 111.622 -169.194 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 565' ' ' TYR . . . . . . . . . . . . . 84.0 m-85 -138.73 144.16 39.37 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 109.399 -0.593 . . . . 1.15 109.399 178.923 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 566' ' ' THR . . . . . 0.736 ' HA ' ' NH1' ' A' ' 520' ' ' ARG . 5.0 t -67.69 -27.69 67.04 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.243 -0.435 . . . . 0.57 110.392 -178.488 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 567' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -56.31 -31.29 63.54 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-N 115.363 -0.835 . . . . 0.89 110.99 175.524 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 568' ' ' ALA . . . . . 0.714 ' O ' ' HG3' ' A' ' 572' ' ' MET . . . -68.79 -42.21 77.69 Favored 'General case' 0 N--CA 1.449 -0.484 0 CA-C-N 116.07 -0.514 . . . . 0.26 110.245 -176.959 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 569' ' ' ALA . . . . . 0.539 ' CB ' HH12 ' A' ' 520' ' ' ARG . . . -66.1 -45.13 82.27 Favored 'General case' 0 CA--C 1.514 -0.429 0 CA-C-N 116.302 -0.408 . . . . 0.24 111.521 -176.165 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 570' ' ' GLN . . . . . . . . . . . . . 12.9 pt20 -68.04 -35.78 78.82 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.397 -0.365 . . . . 1.24 110.346 -178.699 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 571' ' ' ALA . . . . . . . . . . . . . . . -63.48 -43.64 96.69 Favored 'General case' 0 N--CA 1.453 -0.293 0 CA-C-N 116.395 -0.366 . . . . 0.31 110.502 176.013 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 572' ' ' MET . . . . . 0.714 ' HG3' ' O ' ' A' ' 568' ' ' ALA . 31.1 mtt -66.61 -44.46 82.02 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.433 -0.349 . . . . 0.47 110.504 178.126 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 573' ' ' VAL . . . . . 0.517 HG23 ' O ' ' A' ' 569' ' ' ALA . 76.2 t -59.14 -47.2 90.94 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.299 0 C-N-CA 121.208 -0.197 . . . . 0.34 110.481 179.58 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 574' ' ' GLN . . . . . . . . . . . . . 79.8 mm-40 -61.27 -38.99 88.72 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.969 0.414 . . . . 2.09 110.618 178.017 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 575' ' ' TYR . . . . . . . . . . . . . 86.9 t80 -69.66 -53.9 16.48 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.91 -0.586 . . . . 0.48 111.276 -178.329 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 576' ' ' TYR . . . . . 0.565 ' HA ' ' O ' ' A' ' 579' ' ' LYS . 82.2 m-85 -76.41 -13.66 60.11 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 112.755 0.65 . . . . 0.36 112.755 -174.586 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 577' ' ' GLN . . . . . 0.489 ' HA ' ' OE1' ' A' ' 577' ' ' GLN . 13.2 mm-40 -77.09 -41.65 41.31 Favored 'General case' 0 C--N 1.325 -0.47 0 C-N-CA 120.318 -0.553 . . . . 1.89 110.322 170.708 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 578' ' ' GLU . . . . . . . . . . . . . 28.5 mm-40 -77.39 -37.54 51.81 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.019 0.438 . . . . 2.14 110.283 177.265 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 579' ' ' LYS . . . . . 0.565 ' O ' ' HA ' ' A' ' 576' ' ' TYR . 57.9 mtpt -138.4 96.05 10.01 Favored Pre-proline 0 C--N 1.326 -0.439 0 CA-C-N 116.042 -0.526 . . . . 2.46 110.058 177.769 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 580' ' ' PRO . . . . . . . . . . . . . 38.3 Cg_endo -66.72 159.6 50.42 Favored 'Trans proline' 0 C--O 1.234 0.293 0 C-N-CA 122.069 1.846 . . . . 0.37 111.76 179.206 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 581' ' ' ALA . . . . . 0.417 ' HB2' ' CE1' ' A' ' 576' ' ' TYR . . . -92.02 137.05 32.68 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.367 -0.379 . . . . 0.27 110.115 -177.306 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 582' ' ' ILE . . . . . . . . . . . . . 25.8 mt -100.61 118.5 47.39 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.679 0 CA-C-O 120.922 0.391 . . . . 0.51 111.148 -175.778 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 583' ' ' ILE . . . . . 0.416 ' CG1' HD11 ' A' ' 588' ' ' LEU . 32.0 mm -127.51 113.82 33.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 N-CA-C 109.5 -0.555 . . . . 0.51 109.5 173.321 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 584' ' ' ASN . . . . . 0.484 HD22 ' N ' ' A' ' 584' ' ' ASN . 0.8 OUTLIER 59.65 33.67 22.01 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-O 121.53 0.681 . . . . 1.1 109.991 -177.622 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 585' ' ' GLY . . . . . . . . . . . . . . . 81.28 3.01 90.74 Favored Glycine 0 N--CA 1.445 -0.703 0 CA-C-N 115.223 -0.899 . . . . 0.44 112.955 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 586' ' ' GLU . . . . . . . . . . . . . 10.4 mm-40 -100.54 126.34 46.97 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.123 0.487 . . . . 1.79 111.105 -178.931 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 587' ' ' LYS . . . . . . . . . . . . . 34.0 mmtp -76.82 118.54 19.53 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.111 -0.95 . . . . 1.67 110.82 177.147 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 588' ' ' LEU . . . . . 0.475 HD12 HD11 ' A' ' 540' ' ' LEU . 36.3 mt -86.31 141.12 29.47 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.1 -0.5 . . . . 0.24 111.241 -177.666 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 589' ' ' LEU . . . . . 0.496 ' HB3' ' SG ' ' A' ' 525' ' ' CYS . 58.8 tp -113.6 112.56 23.72 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.796 -0.638 . . . . 0.38 110.803 179.471 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 590' ' ' ILE . . . . . 0.49 HD12 ' CD2' ' A' ' 576' ' ' TYR . 25.4 mt -102.94 121.38 54.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 N-CA-C 110.083 -0.339 . . . . 0.26 110.083 176.254 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 591' ' ' ARG . . . . . . . . . . . . . 15.2 mtp180 -147.19 166.03 28.24 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-N 116.52 -0.309 . . . . 2.62 110.505 -176.743 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 592' ' ' MET . . . . . . . . . . . . . 63.3 mtt -82.71 142.8 31.37 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 110.098 -0.334 . . . . 0.34 110.098 178.731 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 593' ' ' SER . . . . . 0.472 ' OG ' ' HB2' ' A' ' 523' ' ' HIS . 74.1 m -85.84 139.23 31.45 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.618 0.723 . . . . 1.37 112.243 -177.326 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 594' ' ' THR . . . . . . . . . . . . . 18.5 p -90.89 -16.42 28.19 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 114.453 -1.249 . . . . 0.38 112.483 -178.296 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 595' ' ' ARG . . . . . 0.443 ' HD2' " H2'" ' B' ' 3' ' ' ' C' . 99.5 mtt180 -101.63 -29.82 11.71 Favored 'General case' 0 N--CA 1.466 0.344 0 N-CA-C 112.497 0.554 . . . . 2.75 112.497 -169.677 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 596' ' ' TYR . . . . . . . . . . . . . 84.4 m-85 -119.82 150.82 39.81 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.047 0.451 . . . . 0.65 111.546 -174.652 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 597' ' ' LYS . . . . . 0.471 ' N ' ' HD2' ' A' ' 597' ' ' LYS . 0.4 OUTLIER -108.14 -18.86 13.67 Favored 'General case' 0 C--O 1.22 -0.47 0 CA-C-N 115.553 -0.749 . . . . 2.18 111.557 -178.536 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 598' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -143.2 150.09 38.88 Favored 'General case' 0 C--N 1.326 -0.439 0 C-N-CA 120.375 -0.53 . . . . 0.95 111.171 -178.516 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 599' ' ' LEU . . . . . 0.846 HD21 HG13 ' A' ' 521' ' ' VAL . 38.9 mt -101.26 121.21 41.46 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.64 -0.709 . . . . 0.45 110.417 175.722 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 600' ' ' GLN . . . . . . . . . . . . . 51.5 tp60 -108.92 120.56 42.88 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 115.491 -0.777 . . . . 1.52 110.653 -178.668 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 601' ' ' LEU . . . . . . . . . . . . . 57.4 mt -80.17 91.66 5.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.155 0.502 . . . . 0.46 110.284 177.887 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 602' ' ' LYS . . . . . . . . . . . . . 54.7 mtpt -88.79 -11.55 44.59 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.627 -0.715 . . . . 1.73 110.246 179.84 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 603' ' ' LYS . . . . . . . . . . . . . 75.3 mmtt -118.95 145.75 38.63 Favored Pre-proline 0 C--N 1.322 -0.616 0 CA-C-N 115.783 -0.644 . . . . 1.69 109.557 178.082 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 604' ' ' PRO . . . . . . . . . . . . . 46.7 Cg_exo -54.97 141.83 77.59 Favored 'Trans proline' 0 C--N 1.345 0.357 0 C-N-CA 122.953 2.435 . . . . 1.21 112.664 -179.15 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 605' ' ' GLY . . . . . . . . . . . . . . . -132.97 141.35 12.72 Favored Glycine 0 N--CA 1.442 -0.92 0 N-CA-C 111.196 -0.761 . . . . 1.23 111.196 179.391 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 606' ' ' LYS . . . . . 0.444 ' H ' ' HD2' ' A' ' 606' ' ' LYS . 2.1 mptp? -82.53 165.84 19.8 Favored 'General case' 0 C--N 1.318 -0.802 0 N-CA-C 110.084 -0.339 . . . . 3.47 110.084 -179.823 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 607' ' ' ASN . . . . . . . . . . . . . 36.0 t30 -58.03 127.58 32.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.198 0.523 . . . . 1.33 111.588 179.241 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 608' ' ' VAL . . . . . 0.572 HG11 ' HB ' ' A' ' 547' ' ' VAL . 64.8 t -86.83 -24.28 6.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 115.572 -0.74 . . . . 0.3 111.215 -177.347 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 609' ' ' ALA . . . . . . . . . . . . . . . -61.26 -34.73 75.64 Favored 'General case' 0 C--O 1.238 0.498 0 CA-C-O 121.505 0.669 . . . . 0.44 110.677 177.953 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 610' ' ' ALA . . . . . . . . . . . . . . . -61.02 -32.3 71.9 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.43 -0.805 . . . . 0.4 110.187 175.571 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 611' ' ' ILE . . . . . 0.493 ' O ' HG13 ' A' ' 615' ' ' ILE . 71.0 mt -70.62 -32.04 48.2 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-N 115.627 -0.715 . . . . 0.25 109.807 -178.033 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 612' ' ' ILE . . . . . 0.493 HG12 HD22 ' A' ' 542' ' ' LEU . 44.3 mt -60.84 -44.3 97.35 Favored 'Isoleucine or valine' 0 C--O 1.234 0.263 0 CA-C-O 121.221 0.534 . . . . 0.31 109.618 175.138 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 613' ' ' GLN . . . . . . . . . . . . . 74.3 mt-30 -64.76 -36.93 85.89 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.371 -0.832 . . . . 2.31 110.178 178.543 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 614' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -65.17 -39.0 92.33 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.187 -0.915 . . . . 1.95 111.291 178.717 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 615' ' ' ILE . . . . . 0.586 HD11 ' HA ' ' A' ' 539' ' ' ASN . 85.2 mt -63.3 -49.06 84.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.747 0.308 . . . . 0.35 110.939 178.239 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 616' ' ' HIS . . . . . . . . . . . . . 92.4 m-70 -67.31 -27.18 66.95 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.345 -0.389 . . . . 1.26 110.879 -178.267 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 617' ' ' SER . . . . . . . . . . . . . 28.8 t -74.19 -25.5 59.73 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.089 -0.505 . . . . 1.18 111.161 177.82 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 618' ' ' GLN . . . . . . . . . . . . . 78.6 mt-30 -118.74 -79.54 0.6 Allowed 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 112.208 0.447 . . . . 4.68 112.208 -174.045 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 619' ' ' ARG . . . . . . . . . . . . . 63.0 mtm180 -136.8 90.86 2.58 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.35 -0.386 . . . . 7.77 110.93 -173.658 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 620' ' ' GLU . . . . . 0.475 ' HA ' ' CG2' ' A' ' 615' ' ' ILE . 8.9 pt-20 -90.27 150.93 21.73 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.276 -0.42 . . . . 7.92 110.4 178.86 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 621' ' ' ARG . . . . . . . . . . . . . 8.6 tpt180 . . . . . 0 C--O 1.246 0.899 0 CA-C-O 118.568 -0.73 . . . . 11.0 109.681 -178.385 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 1' ' ' ADN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 2' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.835 0 C3'-C2'-C1' 99.861 -1.821 . 0.0 '__' . 2.99 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 3' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.424 -1.021 0 C4'-C3'-C2' 104.009 1.309 . 0.0 OUTLIER '7D dist 2[' 1.58 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 4' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.934 0 C3'-C2'-C1' 99.425 -2.305 . 0.213 4b . 1.15 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 5' ' ' ' U' . . . . . 0.497 " H2'" ' N1 ' ' B' ' 6' ' ' ' A' . . . . . . . . 0 O5'--C5' 1.427 -0.818 0 C4'-C3'-C2' 104.08 1.38 . 0.069 4b . 1.33 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 6' ' ' ' A' . . . . . 0.497 ' N1 ' " H2'" ' B' ' 5' ' ' ' U' . . . . . . . . 0 O5'--C5' 1.424 -0.994 0 O4'-C1'-N19 109.696 1.496 . 0.0 OUTLIER . 4.23 . . . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 510' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.748 0 N-CA-C 112.03 -0.428 . . . . 8.88 112.03 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 511' ' ' ALA . . . . . . . . . . . . . . . -138.57 29.57 2.38 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.063 0.459 . . . . 6.64 110.864 -179.57 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 512' ' ' MET . . . . . . . . . . . . . 15.6 tpt -84.98 147.15 26.85 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.197 -0.456 . . . . 6.33 110.356 -178.838 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 513' ' ' ALA . . . . . . . . . . . . . . . 60.17 49.82 6.98 Favored 'General case' 0 C--O 1.234 0.262 0 O-C-N 123.689 0.618 . . . . 4.2 110.609 -179.463 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 514' ' ' GLN . . . . . 0.464 HE22 ' HA ' ' A' ' 594' ' ' THR . 27.5 mm-40 -123.92 118.8 27.89 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.7 -0.682 . . . . 2.88 111.304 -178.13 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 515' ' ' ARG . . . . . . . . . . . . . 47.2 mtm180 -109.48 126.33 53.4 Favored 'General case' 0 C--N 1.319 -0.741 0 N-CA-C 109.174 -0.676 . . . . 4.0 109.174 171.682 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 516' ' ' LYS . . . . . . . . . . . . . 44.4 mmtm -140.57 46.93 1.78 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.628 0.251 . . . . 1.89 111.156 -176.967 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 517' ' ' GLY . . . . . . . . . . . . . . . -112.61 -82.58 1.19 Allowed Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.697 -0.763 . . . . 2.04 112.182 178.823 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 518' ' ' ALA . . . . . . . . . . . . . . . -86.52 -8.44 57.55 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.598 0.713 . . . . 1.75 110.889 179.375 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 519' ' ' GLY . . . . . . . . . . . . . . . -144.53 116.32 0.94 Allowed Glycine 0 N--CA 1.446 -0.698 0 CA-C-N 114.834 -1.076 . . . . 0.67 110.631 178.65 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 520' ' ' ARG . . . . . . . . . . . . . 11.9 mtm-85 -125.7 133.81 52.01 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 117.288 0.544 . . . . 2.22 110.842 -179.658 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 521' ' ' VAL . . . . . 0.693 HG13 HD21 ' A' ' 599' ' ' LEU . 71.3 t -118.99 122.72 70.03 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.791 0 CA-C-N 115.513 -0.767 . . . . 0.32 110.67 168.407 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 522' ' ' VAL . . . . . 0.496 ' HB ' ' O ' ' A' ' 561' ' ' LEU . 23.0 t -120.27 122.28 67.89 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.837 0 N-CA-C 107.71 -1.219 . . . . 0.22 107.71 175.359 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 523' ' ' HIS . . . . . . . . . . . . . 57.6 t60 -105.06 131.59 52.38 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-O 121.069 0.461 . . . . 0.44 110.383 -172.7 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 524' ' ' ILE . . . . . 0.468 HD11 HD22 ' A' ' 561' ' ' LEU . 31.2 mt -111.04 136.57 46.69 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.906 0 N-CA-C 108.709 -0.849 . . . . 0.19 108.709 178.541 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 525' ' ' CYS . . . . . 0.481 ' O ' ' HB2' ' A' ' 526' ' ' ASN . 0.8 OUTLIER -142.63 164.42 30.17 Favored 'General case' 0 C--N 1.311 -1.077 0 C-N-CA 120.747 -0.381 . . . . 1.17 111.518 -176.442 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 526' ' ' ASN . . . . . 0.481 ' HB2' ' O ' ' A' ' 525' ' ' CYS . 93.6 m-20 84.69 23.58 0.1 Allowed 'General case' 0 N--CA 1.472 0.632 0 O-C-N 124.75 1.281 . . . . 0.26 110.194 178.941 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 527' ' ' LEU . . . . . 0.473 ' HB3' ' SG ' ' A' ' 532' ' ' CYS . 87.1 mt -81.52 123.36 80.99 Favored Pre-proline 0 C--N 1.325 -0.48 0 N-CA-C 108.061 -1.088 . . . . 0.25 108.061 177.31 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 528' ' ' PRO . . . . . 0.408 ' HD3' ' HA ' ' A' ' 527' ' ' LEU . 12.8 Cg_exo -70.41 132.78 22.96 Favored 'Trans proline' 0 N--CA 1.459 -0.519 0 C-N-CA 121.069 1.18 . . . . 0.38 111.729 -177.905 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 529' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -65.39 130.12 42.18 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 109.168 -0.679 . . . . 1.6 109.168 177.154 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 530' ' ' GLY . . . . . . . . . . . . . . . 96.12 3.6 60.28 Favored Glycine 0 N--CA 1.444 -0.781 0 C-N-CA 120.202 -0.999 . . . . 0.48 111.145 -173.507 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 531' ' ' SER . . . . . . . . . . . . . 23.1 t -148.54 10.98 0.86 Allowed 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.363 0.601 . . . . 1.08 109.611 -179.14 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 532' ' ' CYS . . . . . 0.538 ' HB2' ' HD2' ' A' ' 554' ' ' LYS . 85.4 m -92.15 87.94 6.31 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 109.168 -0.679 . . . . 0.25 109.168 -179.6 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 533' ' ' THR . . . . . 0.481 ' O ' HG23 ' A' ' 537' ' ' VAL . 28.0 p -104.21 153.31 21.12 Favored 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 109.05 -0.722 . . . . 0.35 109.05 -179.657 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 534' ' ' GLU . . . . . 0.756 ' HA ' HD11 ' A' ' 552' ' ' LEU . 54.9 mt-10 -64.39 -33.1 75.09 Favored 'General case' 0 C--N 1.319 -0.736 0 N-CA-C 109.263 -0.643 . . . . 1.64 109.263 177.155 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 535' ' ' ASN . . . . . . . . . . . . . 4.9 m-20 -61.78 -49.31 76.9 Favored 'General case' 0 C--O 1.213 -0.852 0 CA-C-N 115.188 -0.914 . . . . 1.82 111.394 178.714 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 536' ' ' ASP . . . . . . . . . . . . . 61.4 m-20 -69.03 -46.1 68.78 Favored 'General case' 0 N--CA 1.475 0.783 0 CA-C-O 121.478 0.656 . . . . 0.61 110.991 -172.037 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 537' ' ' VAL . . . . . 0.481 HG23 ' O ' ' A' ' 533' ' ' THR . 36.3 t -59.86 -48.1 89.0 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 CA-C-N 114.802 -1.09 . . . . 0.15 109.999 -178.318 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 538' ' ' ILE . . . . . 0.55 HG23 HG21 ' A' ' 547' ' ' VAL . 54.7 mt -69.04 -33.79 60.58 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.66 0 CA-C-N 115.5 -0.773 . . . . 0.23 111.853 176.817 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 539' ' ' ASN . . . . . 0.425 ' HA ' HD11 ' A' ' 615' ' ' ILE . 10.5 m120 -57.96 -27.46 63.44 Favored 'General case' 0 CA--C 1.514 -0.407 0 N-CA-C 109.944 -0.391 . . . . 0.25 109.944 176.952 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 540' ' ' LEU . . . . . 0.492 HD11 HD12 ' A' ' 588' ' ' LEU . 90.8 mt -75.64 -41.12 54.99 Favored 'General case' 0 N--CA 1.444 -0.74 0 C-N-CA 120.859 -0.336 . . . . 0.27 110.135 174.474 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 541' ' ' GLY . . . . . 0.547 ' HA2' ' SD ' ' A' ' 572' ' ' MET . . . -68.37 -52.55 25.96 Favored Glycine 0 CA--C 1.525 0.667 0 N-CA-C 115.553 0.981 . . . . 0.19 115.553 -179.063 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 542' ' ' LEU . . . . . 0.475 ' HA ' ' O ' ' A' ' 545' ' ' GLY . 36.4 mt -55.64 -47.36 98.85 Favored Pre-proline 0 C--N 1.321 -0.633 0 N-CA-C 114.836 1.421 . . . . 0.2 114.836 -168.057 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 543' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_exo -58.5 -23.22 63.29 Favored 'Trans proline' 0 CA--C 1.535 0.558 0 C-N-CA 122.029 1.82 . . . . 0.23 113.726 -176.859 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 544' ' ' PHE . . . . . 0.414 ' HB2' ' HE2' ' A' ' 572' ' ' MET . 97.3 m-85 -102.15 -8.55 21.27 Favored 'General case' 0 C--O 1.234 0.267 0 O-C-N 121.867 -0.521 . . . . 0.33 111.342 178.445 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 545' ' ' GLY . . . . . 0.475 ' O ' ' HA ' ' A' ' 542' ' ' LEU . . . 169.66 152.89 8.17 Favored Glycine 0 N--CA 1.449 -0.484 0 C-N-CA 120.904 -0.665 . . . . 0.44 112.167 -178.837 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 546' ' ' LYS . . . . . . . . . . . . . 28.1 tptp -65.66 128.21 35.05 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.241 0.543 . . . . 2.07 111.235 -178.501 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 547' ' ' VAL . . . . . 0.608 ' HB ' HG11 ' A' ' 608' ' ' VAL . 70.0 t -87.69 116.83 30.48 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.684 0 CA-C-N 115.156 -0.929 . . . . 0.2 110.184 177.18 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 548' ' ' THR . . . . . . . . . . . . . 25.0 p -99.71 -34.36 10.22 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.294 -0.412 . . . . 0.31 112.031 179.015 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 549' ' ' ASN . . . . . 0.416 ' HB2' ' CB ' ' A' ' 562' ' ' GLU . 31.8 m-80 -142.39 151.91 42.32 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.906 0.384 . . . . 1.26 110.202 -178.81 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 550' ' ' TYR . . . . . 0.524 ' CG ' HD11 ' A' ' 538' ' ' ILE . 3.1 p90 -160.34 151.09 18.71 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.956 -0.566 . . . . 0.31 109.773 -178.321 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 551' ' ' ILE . . . . . 0.464 HG23 ' C2 ' ' B' ' 5' ' ' ' U' . 33.1 mt -143.42 121.51 6.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 N-CA-C 108.138 -1.06 . . . . 0.22 108.138 -178.035 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 552' ' ' LEU . . . . . 0.756 HD11 ' HA ' ' A' ' 534' ' ' GLU . 21.2 mt -111.67 124.47 52.38 Favored 'General case' 0 C--N 1.32 -0.712 0 C-N-CA 119.794 -0.762 . . . . 0.43 111.617 -176.848 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 553' ' ' MET . . . . . 0.45 ' HG3' " O4'" ' B' ' 5' ' ' ' U' . 4.2 mpp? -112.09 83.73 1.84 Allowed 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 109.018 -0.734 . . . . 1.03 109.018 174.587 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 554' ' ' LYS . . . . . 0.538 ' HD2' ' HB2' ' A' ' 532' ' ' CYS . 4.6 mmtp -53.11 -28.41 25.37 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.393 -0.821 . . . . 1.03 112.201 175.423 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 555' ' ' SER . . . . . . . . . . . . . 71.0 p -69.32 -38.93 78.47 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 111.833 0.308 . . . . 0.51 111.833 -173.463 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 556' ' ' THR . . . . . . . . . . . . . 40.6 p -105.55 7.04 32.73 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 112.419 0.525 . . . . 0.45 112.419 -175.301 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 557' ' ' ASN . . . . . . . . . . . . . 2.6 m-20 59.16 39.12 23.32 Favored 'General case' 0 N--CA 1.468 0.447 0 CA-C-O 121.562 0.696 . . . . 1.28 110.392 -177.57 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 558' ' ' GLN . . . . . . . . . . . . . 23.7 mt-30 -137.63 154.44 49.73 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.185 -0.916 . . . . 0.84 110.056 -174.781 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 559' ' ' ALA . . . . . . . . . . . . . . . -157.27 164.83 37.25 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.3 0.572 . . . . 0.16 111.982 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 560' ' ' PHE . . . . . 0.455 ' HB2' ' HB ' ' A' ' 551' ' ' ILE . 94.6 m-85 -121.18 145.66 47.6 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.281 -0.872 . . . . 0.35 110.609 176.697 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 561' ' ' LEU . . . . . 0.496 ' O ' ' HB ' ' A' ' 522' ' ' VAL . 60.5 tp -138.76 118.93 13.5 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.19 -0.459 . . . . 0.2 110.359 179.796 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 562' ' ' GLU . . . . . 0.416 ' CB ' ' HB2' ' A' ' 549' ' ' ASN . 0.1 OUTLIER -101.99 136.01 42.57 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.261 0.553 . . . . 2.09 109.842 176.471 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 563' ' ' MET . . . . . 0.558 ' SD ' ' HA ' ' A' ' 569' ' ' ALA . 28.2 mtt -122.8 141.26 52.03 Favored 'General case' 0 C--N 1.314 -0.971 0 CA-C-N 115.302 -0.863 . . . . 0.39 108.743 -172.24 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 564' ' ' ALA . . . . . . . . . . . . . . . -66.62 -16.29 64.08 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 112.348 0.499 . . . . 0.5 112.348 -168.644 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 565' ' ' TYR . . . . . 0.472 ' CB ' ' HG2' ' A' ' 567' ' ' GLU . 93.9 m-85 -138.57 142.2 39.23 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.273 -0.421 . . . . 1.15 110.037 -179.121 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 566' ' ' THR . . . . . . . . . . . . . 13.5 t -62.55 -27.27 69.06 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.556 -0.747 . . . . 0.57 110.437 179.278 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 567' ' ' GLU . . . . . 0.472 ' HG2' ' CB ' ' A' ' 565' ' ' TYR . 12.1 pt-20 -55.91 -33.72 64.91 Favored 'General case' 0 C--N 1.333 -0.122 0 CA-C-N 115.628 -0.715 . . . . 0.89 110.834 175.905 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 568' ' ' ALA . . . . . 0.67 ' O ' ' HG3' ' A' ' 572' ' ' MET . . . -73.49 -41.58 62.93 Favored 'General case' 0 N--CA 1.447 -0.579 0 CA-C-N 115.866 -0.606 . . . . 0.26 110.309 -174.826 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 569' ' ' ALA . . . . . 0.558 ' HA ' ' SD ' ' A' ' 563' ' ' MET . . . -64.85 -46.54 81.44 Favored 'General case' 0 N--CA 1.451 -0.402 0 CA-C-N 116.11 -0.496 . . . . 0.24 111.244 -175.173 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 570' ' ' GLN . . . . . . . . . . . . . 4.0 pt20 -69.67 -36.42 76.01 Favored 'General case' 0 C--N 1.326 -0.451 0 C-N-CA 120.714 -0.394 . . . . 1.24 110.784 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 571' ' ' ALA . . . . . . . . . . . . . . . -63.48 -45.67 89.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.567 -0.288 . . . . 0.31 111.225 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 572' ' ' MET . . . . . 0.67 ' HG3' ' O ' ' A' ' 568' ' ' ALA . 27.0 mtt -67.01 -45.0 78.88 Favored 'General case' 0 CA--C 1.516 -0.33 0 CA-C-N 116.537 -0.301 . . . . 0.47 110.989 -178.335 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 573' ' ' VAL . . . . . 0.555 ' O ' ' HG2' ' A' ' 577' ' ' GLN . 93.4 t -58.74 -47.6 88.58 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 C-N-CA 120.793 -0.363 . . . . 0.34 110.221 -179.412 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 574' ' ' GLN . . . . . . . . . . . . . 79.0 mt-30 -63.39 -37.45 87.33 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-O 120.906 0.384 . . . . 2.09 110.959 179.278 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 575' ' ' TYR . . . . . . . . . . . . . 86.3 t80 -68.25 -53.53 23.95 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.268 -0.423 . . . . 0.48 111.113 -179.456 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 576' ' ' TYR . . . . . 0.506 ' HA ' ' O ' ' A' ' 579' ' ' LYS . 80.5 m-85 -73.14 -13.12 61.12 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 112.648 0.61 . . . . 0.36 112.648 -176.527 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 577' ' ' GLN . . . . . 0.555 ' HG2' ' O ' ' A' ' 573' ' ' VAL . 11.6 mm-40 -71.37 -41.98 69.01 Favored 'General case' 0 C--N 1.327 -0.411 0 C-N-CA 120.616 -0.433 . . . . 1.89 110.203 171.165 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 578' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -88.18 -38.97 14.87 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.36 -0.382 . . . . 2.14 111.03 179.905 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 579' ' ' LYS . . . . . 0.506 ' O ' ' HA ' ' A' ' 576' ' ' TYR . 28.0 mtpp -128.95 92.55 39.48 Favored Pre-proline 0 C--N 1.324 -0.501 0 N-CA-C 109.878 -0.416 . . . . 2.46 109.878 176.615 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 580' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo -70.1 160.01 51.1 Favored 'Trans proline' 0 C--O 1.235 0.343 0 C-N-CA 122.292 1.994 . . . . 0.37 112.014 -179.549 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 581' ' ' ALA . . . . . 0.452 ' O ' ' HG ' ' A' ' 588' ' ' LEU . . . -91.51 132.87 35.98 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 109.765 -0.458 . . . . 0.27 109.765 179.549 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 582' ' ' ILE . . . . . . . . . . . . . 34.0 mt -103.45 120.18 53.07 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.752 0 CA-C-O 121.061 0.458 . . . . 0.51 111.343 -175.155 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 583' ' ' ILE . . . . . 0.402 ' CG1' HD11 ' A' ' 588' ' ' LEU . 27.3 mm -128.27 115.09 36.9 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 CA-C-N 115.595 -0.729 . . . . 0.51 109.682 174.528 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 584' ' ' ASN . . . . . . . . . . . . . 4.4 m-20 58.97 33.46 23.04 Favored 'General case' 0 N--CA 1.465 0.316 0 CA-C-O 121.608 0.718 . . . . 1.1 110.45 178.69 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 585' ' ' GLY . . . . . . . . . . . . . . . 85.12 -1.74 88.59 Favored Glycine 0 N--CA 1.445 -0.741 0 CA-C-N 115.073 -0.967 . . . . 0.44 113.707 177.472 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 586' ' ' GLU . . . . . . . . . . . . . 25.9 mt-10 -104.23 127.55 51.87 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 117.497 0.649 . . . . 1.79 111.11 -178.724 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 587' ' ' LYS . . . . . . . . . . . . . 30.0 mmtp -76.52 118.08 18.83 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.117 -0.947 . . . . 1.67 110.928 179.141 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 588' ' ' LEU . . . . . 0.492 HD12 HD11 ' A' ' 540' ' ' LEU . 44.2 mt -81.38 139.82 35.08 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.954 -0.566 . . . . 0.24 111.067 -177.004 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 589' ' ' LEU . . . . . . . . . . . . . 61.3 tp -113.03 113.62 25.71 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.898 -0.592 . . . . 0.38 110.976 -179.573 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 590' ' ' ILE . . . . . 0.443 HD12 ' CE2' ' A' ' 576' ' ' TYR . 24.1 mt -106.08 118.69 54.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 N-CA-C 110.041 -0.355 . . . . 0.26 110.041 175.055 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 591' ' ' ARG . . . . . . . . . . . . . 68.7 mtp180 -145.4 166.03 26.78 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-O 120.757 0.313 . . . . 2.62 110.608 -178.227 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 592' ' ' MET . . . . . . . . . . . . . 61.9 mtt -82.53 142.09 32.11 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.457 -0.338 . . . . 0.34 110.788 -177.191 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 593' ' ' SER . . . . . . . . . . . . . 47.6 t -86.58 137.52 32.43 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.538 0.685 . . . . 1.37 111.887 -174.964 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 594' ' ' THR . . . . . 0.464 ' HA ' HE22 ' A' ' 514' ' ' GLN . 17.0 p -90.95 -12.67 35.28 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 114.697 -1.138 . . . . 0.38 112.206 179.257 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 595' ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 -101.07 -30.95 11.31 Favored 'General case' 0 C--N 1.332 -0.189 0 N-CA-C 112.384 0.513 . . . . 2.75 112.384 -170.838 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 596' ' ' TYR . . . . . 0.452 ' HB3' HG21 ' A' ' 521' ' ' VAL . 47.8 m-85 -118.43 144.66 45.79 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 121.185 0.517 . . . . 0.65 111.614 -176.848 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 597' ' ' LYS . . . . . 0.607 ' N ' ' HD2' ' A' ' 597' ' ' LYS . 6.4 mptt -109.82 -9.94 14.79 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.293 -0.867 . . . . 2.18 110.271 176.315 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 598' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -144.67 150.22 36.98 Favored 'General case' 0 N--CA 1.45 -0.428 0 CA-C-N 116.36 -0.382 . . . . 0.95 110.832 -179.865 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 599' ' ' LEU . . . . . 0.693 HD21 HG13 ' A' ' 521' ' ' VAL . 47.7 mt -111.82 121.4 44.97 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.581 -0.736 . . . . 0.45 110.769 174.536 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 600' ' ' GLN . . . . . . . . . . . . . 27.7 tt0 -113.54 121.98 45.87 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.59 -0.732 . . . . 1.52 110.342 -179.832 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 601' ' ' LEU . . . . . . . . . . . . . 78.5 mt -75.21 90.13 2.56 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.889 0.376 . . . . 0.46 111.245 -179.203 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 602' ' ' LYS . . . . . . . . . . . . . 96.8 mttt -65.09 -35.25 80.55 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 108.856 -0.794 . . . . 1.73 108.856 171.672 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 603' ' ' LYS . . . . . . . . . . . . . 75.3 mmtt -117.8 124.5 28.76 Favored Pre-proline 0 C--N 1.322 -0.62 0 CA-C-N 114.873 -1.058 . . . . 1.69 108.472 173.73 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 604' ' ' PRO . . . . . . . . . . . . . 38.3 Cg_endo -65.37 178.27 2.17 Favored 'Trans proline' 0 C--O 1.233 0.264 0 C-N-CA 123.126 2.55 . . . . 1.21 113.446 -175.481 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 605' ' ' GLY . . . . . . . . . . . . . . . -145.65 154.97 26.27 Favored Glycine 0 N--CA 1.44 -1.051 0 N-CA-C 111.046 -0.822 . . . . 1.23 111.046 -177.285 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 606' ' ' LYS . . . . . . . . . . . . . 60.6 pttt -74.37 175.68 7.45 Favored 'General case' 0 C--N 1.317 -0.817 0 C-N-CA 122.334 0.253 . . . . 3.47 111.143 -178.309 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 607' ' ' ASN . . . . . . . . . . . . . 33.5 t30 -57.72 123.22 14.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.239 0.542 . . . . 1.33 111.523 177.061 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 608' ' ' VAL . . . . . 0.608 HG11 ' HB ' ' A' ' 547' ' ' VAL . 46.2 t -85.59 -20.23 8.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-N 115.644 -0.707 . . . . 0.3 110.914 -177.476 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 609' ' ' ALA . . . . . . . . . . . . . . . -64.5 -34.81 79.09 Favored 'General case' 0 C--O 1.237 0.447 0 CA-C-O 121.533 0.682 . . . . 0.44 110.665 177.669 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 610' ' ' ALA . . . . . . . . . . . . . . . -64.88 -27.74 69.07 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.561 -0.745 . . . . 0.4 110.095 177.367 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 611' ' ' ILE . . . . . 0.459 ' CD1' HD12 ' A' ' 538' ' ' ILE . 74.4 mt -71.68 -29.4 34.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 115.725 -0.671 . . . . 0.25 109.779 177.949 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 612' ' ' ILE . . . . . . . . . . . . . 61.4 mt -60.74 -44.1 96.57 Favored 'Isoleucine or valine' 0 C--O 1.234 0.26 0 N-CA-C 109.554 -0.535 . . . . 0.31 109.554 173.012 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 613' ' ' GLN . . . . . . . . . . . . . 30.8 mm-40 -66.5 -30.64 71.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.344 0.592 . . . . 2.31 109.858 176.757 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 614' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -66.06 -39.43 90.09 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 114.995 -1.002 . . . . 1.95 110.708 -179.377 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 615' ' ' ILE . . . . . 0.428 ' CD1' ' HB2' ' A' ' 542' ' ' LEU . 87.9 mt -64.93 -42.97 96.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.455 . . . . 0.35 110.429 176.505 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 616' ' ' HIS . . . . . . . . . . . . . 36.5 m80 -66.38 -27.04 67.56 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.145 -0.48 . . . . 1.26 111.278 178.949 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 617' ' ' SER . . . . . . . . . . . . . 46.6 t -73.66 -31.49 63.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.199 0.523 . . . . 1.18 109.91 175.391 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 618' ' ' GLN . . . . . . . . . . . . . 49.2 mt-30 -84.88 97.07 9.54 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.808 -0.633 . . . . 4.68 109.996 176.077 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 619' ' ' ARG . . . . . . . . . . . . . 82.7 mtp180 -95.21 87.34 4.82 Favored 'General case' 0 C--N 1.313 -1.011 0 CA-C-N 116.039 -0.528 . . . . 7.77 110.779 -175.138 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 620' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -79.09 51.44 1.16 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.018 -0.537 . . . . 7.92 111.333 -179.818 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 621' ' ' ARG . . . . . . . . . . . . . 96.2 mtt180 . . . . . 0 C--O 1.249 1.034 0 CA-C-O 118.952 -0.547 . . . . 11.0 109.805 179.811 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 1' ' ' ADN . . . . . 0.791 " O2'" H5'' ' B' ' 2' ' ' ' U' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 2' ' ' ' U' . . . . . 0.791 H5'' " O2'" ' B' ' 1' ' ' ADN . . . . . . . . 0 O5'--C5' 1.427 -0.817 0 C3'-C2'-C1' 99.851 -1.832 . 0.0 '__' . 2.99 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 3' ' ' ' C' . . . . . 0.595 ' O2 ' ' HB3' ' A' ' 593' ' ' SER . . . . . . . . 0 O5'--C5' 1.426 -0.873 0 C4'-C3'-C2' 104.116 1.416 . 0.0 OUTLIER . 1.58 . . . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 4' ' ' ' U' . . . . . 0.608 ' O2 ' ' H5 ' ' B' ' 5' ' ' ' U' . . . . . . . . 0 O5'--C5' 1.426 -0.903 0 C3'-C2'-C1' 99.28 -2.467 . 0.0 OUTLIER gamma 1.15 . . . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 5' ' ' ' U' . . . . . 0.608 ' H5 ' ' O2 ' ' B' ' 4' ' ' ' U' . . . . . . . . 0 O5'--C5' 1.425 -0.934 0 O4'-C1'-N19 109.608 1.408 . 0.0 OUTLIER alpha 1.33 . . . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 6' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.424 -1.009 0 C3'-C2'-C1' 100.36 -1.266 . 0.0 OUTLIER . 4.23 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 510' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.803 0 N-CA-C 112.05 -0.42 . . . . 8.88 112.05 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 511' ' ' ALA . . . . . . . . . . . . . . . -110.24 -50.29 2.98 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.777 0.323 . . . . 6.64 110.34 177.043 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 512' ' ' MET . . . . . . . . . . . . . 26.7 ptt? -96.99 -21.22 17.54 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.17 0.51 . . . . 6.33 109.762 176.292 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 513' ' ' ALA . . . . . . . . . . . . . . . -87.71 65.12 8.32 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.634 -0.712 . . . . 4.2 109.424 174.034 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 514' ' ' GLN . . . . . . . . . . . . . 83.1 mm-40 69.77 153.14 0.11 Allowed 'General case' 0 CA--C 1.53 0.186 0 CA-C-N 115.17 -0.923 . . . . 2.88 110.488 -175.039 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 515' ' ' ARG . . . . . . . . . . . . . 95.6 mtt180 -83.76 62.63 7.02 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.116 0.484 . . . . 4.0 110.516 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 516' ' ' LYS . . . . . 0.447 ' HB3' ' HG2' ' A' ' 520' ' ' ARG . 68.3 mmtt -85.99 61.12 6.65 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.25 0.548 . . . . 1.89 111.04 -176.892 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 517' ' ' GLY . . . . . . . . . . . . . . . -128.38 136.85 9.34 Favored Glycine 0 N--CA 1.445 -0.73 0 CA-C-N 115.425 -0.807 . . . . 2.04 111.325 177.486 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 518' ' ' ALA . . . . . . . . . . . . . . . 60.06 43.67 14.11 Favored 'General case' 0 N--CA 1.463 0.179 0 CA-C-O 121.219 0.533 . . . . 1.75 110.762 -178.135 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 519' ' ' GLY . . . . . . . . . . . . . . . 135.24 129.62 2.89 Favored Glycine 0 N--CA 1.447 -0.584 0 CA-C-N 115.608 -0.724 . . . . 0.67 111.385 -177.593 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 520' ' ' ARG . . . . . 0.447 ' HG2' ' HB3' ' A' ' 516' ' ' LYS . 50.0 mtm-85 -134.78 134.66 41.15 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 117.311 0.555 . . . . 2.22 111.243 179.606 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 521' ' ' VAL . . . . . 0.814 HG13 HD21 ' A' ' 599' ' ' LEU . 95.1 t -117.01 121.44 67.8 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.722 0 CA-C-N 115.225 -0.898 . . . . 0.32 110.648 171.252 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 522' ' ' VAL . . . . . 0.454 ' HB ' ' O ' ' A' ' 561' ' ' LEU . 24.2 t -121.63 122.59 67.43 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 N-CA-C 108.565 -0.902 . . . . 0.22 108.565 178.092 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 523' ' ' HIS . . . . . 0.439 ' HB2' ' OG ' ' A' ' 593' ' ' SER . 59.3 t-80 -105.69 135.4 47.18 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.097 0.475 . . . . 0.44 110.578 -175.147 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 524' ' ' ILE . . . . . 0.533 HD11 HD22 ' A' ' 561' ' ' LEU . 33.1 mt -111.2 138.85 37.83 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.801 0 N-CA-C 108.791 -0.818 . . . . 0.19 108.791 177.067 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 525' ' ' CYS . . . . . 0.459 ' O ' ' HB2' ' A' ' 526' ' ' ASN . 0.0 OUTLIER -132.65 159.06 40.68 Favored 'General case' 0 C--N 1.317 -0.843 0 C-N-CA 120.796 -0.362 . . . . 1.17 111.241 -171.922 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 526' ' ' ASN . . . . . 0.459 ' HB2' ' O ' ' A' ' 525' ' ' CYS . 87.4 m-20 86.95 30.67 0.03 OUTLIER 'General case' 0 N--CA 1.471 0.603 0 O-C-N 124.764 1.29 . . . . 0.26 110.924 173.784 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 527' ' ' LEU . . . . . 0.427 ' HA ' ' HD3' ' A' ' 528' ' ' PRO . 80.2 mt -92.86 124.66 57.89 Favored Pre-proline 0 C--N 1.323 -0.583 0 CA-C-N 115.561 -0.745 . . . . 0.25 109.559 177.379 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 528' ' ' PRO . . . . . 0.427 ' HD3' ' HA ' ' A' ' 527' ' ' LEU . 5.7 Cg_exo -74.23 133.68 18.15 Favored 'Trans proline' 0 N--CA 1.458 -0.606 0 C-N-CA 121.695 1.597 . . . . 0.38 111.379 -179.426 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 529' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -66.69 133.23 49.78 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 109.541 -0.54 . . . . 1.6 109.541 177.186 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 530' ' ' GLY . . . . . . . . . . . . . . . 90.42 3.54 71.9 Favored Glycine 0 N--CA 1.446 -0.645 0 N-CA-C 110.33 -1.108 . . . . 0.48 110.33 -171.113 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 531' ' ' SER . . . . . . . . . . . . . 55.5 m -149.55 9.02 0.7 Allowed 'General case' 0 N--CA 1.45 -0.457 0 CA-C-N 115.005 -0.598 . . . . 1.08 110.202 -177.969 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 532' ' ' CYS . . . . . 0.42 ' SG ' ' HB3' ' A' ' 527' ' ' LEU . 59.4 m -89.71 88.03 7.23 Favored 'General case' 0 CA--C 1.51 -0.571 0 N-CA-C 108.133 -1.062 . . . . 0.25 108.133 175.88 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 533' ' ' THR . . . . . 0.449 ' O ' HG23 ' A' ' 537' ' ' VAL . 30.3 p -96.11 150.36 20.59 Favored 'General case' 0 N--CA 1.441 -0.903 0 C-N-CA 119.728 -0.789 . . . . 0.35 109.225 -177.03 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 534' ' ' GLU . . . . . 0.46 ' N ' HD11 ' A' ' 552' ' ' LEU . 29.5 mt-10 -67.25 -33.59 75.64 Favored 'General case' 0 C--N 1.317 -0.818 0 N-CA-C 108.771 -0.826 . . . . 1.64 108.771 177.144 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 535' ' ' ASN . . . . . . . . . . . . . 6.0 m120 -64.47 -49.51 71.11 Favored 'General case' 0 C--O 1.213 -0.817 0 CA-C-N 114.67 -1.15 . . . . 1.82 111.862 -178.507 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 536' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -68.65 -44.59 73.79 Favored 'General case' 0 N--CA 1.474 0.75 0 CA-C-N 118.642 0.655 . . . . 0.61 111.206 -172.637 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 537' ' ' VAL . . . . . 0.462 HG21 HD21 ' A' ' 552' ' ' LEU . 40.4 t -61.11 -48.12 90.47 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.765 0 CA-C-N 114.764 -1.107 . . . . 0.15 110.336 -178.282 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 538' ' ' ILE . . . . . 0.579 HD11 ' CG ' ' A' ' 550' ' ' TYR . 65.8 mt -68.89 -34.33 63.8 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 CA-C-N 115.795 -0.638 . . . . 0.23 111.567 176.314 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 539' ' ' ASN . . . . . 0.502 ' HA ' HD11 ' A' ' 615' ' ' ILE . 93.3 m-20 -57.71 -28.54 63.93 Favored 'General case' 0 CA--C 1.514 -0.413 0 N-CA-C 110.411 -0.218 . . . . 0.25 110.411 178.622 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 540' ' ' LEU . . . . . 0.482 HD11 HD12 ' A' ' 588' ' ' LEU . 76.4 mt -76.99 -41.8 41.39 Favored 'General case' 0 C--N 1.324 -0.524 0 C-N-CA 120.797 -0.361 . . . . 0.27 110.399 174.028 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 541' ' ' GLY . . . . . 0.496 ' CA ' HD21 ' A' ' 561' ' ' LEU . . . -62.36 -52.47 49.08 Favored Glycine 0 CA--C 1.522 0.527 0 N-CA-C 115.47 0.948 . . . . 0.19 115.47 -179.189 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 542' ' ' LEU . . . . . 0.517 ' HB2' ' CD1' ' A' ' 615' ' ' ILE . 57.4 mt -57.05 -44.32 99.72 Favored Pre-proline 0 C--N 1.318 -0.766 0 N-CA-C 114.782 1.401 . . . . 0.2 114.782 -170.148 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 543' ' ' PRO . . . . . 0.431 ' HD2' ' O ' ' A' ' 540' ' ' LEU . 51.0 Cg_exo -58.11 -26.44 75.71 Favored 'Trans proline' 0 C--N 1.349 0.604 0 C-N-CA 122.105 1.87 . . . . 0.23 113.934 -177.143 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 544' ' ' PHE . . . . . 0.43 ' HB2' ' HE2' ' A' ' 572' ' ' MET . 95.7 m-85 -103.95 -6.66 21.05 Favored 'General case' 0 C--O 1.235 0.31 0 O-C-N 121.985 -0.447 . . . . 0.33 111.577 178.926 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 545' ' ' GLY . . . . . 0.487 ' O ' ' HA ' ' A' ' 542' ' ' LEU . . . 169.51 151.84 7.54 Favored Glycine 0 C--O 1.227 -0.312 0 C-N-CA 121.004 -0.617 . . . . 0.44 111.999 -179.401 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 546' ' ' LYS . . . . . . . . . . . . . 87.4 tttt -66.37 131.16 45.46 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.039 0.447 . . . . 2.07 111.08 -177.76 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 547' ' ' VAL . . . . . 0.612 ' HB ' HG11 ' A' ' 608' ' ' VAL . 69.7 t -87.88 116.12 29.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-N 115.595 -0.729 . . . . 0.2 110.784 178.174 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 548' ' ' THR . . . . . . . . . . . . . 23.1 p -93.84 -35.0 12.93 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.105 -0.498 . . . . 0.31 111.839 179.032 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 549' ' ' ASN . . . . . 0.489 ' HB2' ' CB ' ' A' ' 562' ' ' GLU . 90.3 m-20 -142.57 160.4 40.37 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.188 0.518 . . . . 1.26 110.767 178.539 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 550' ' ' TYR . . . . . 0.579 ' CG ' HD11 ' A' ' 538' ' ' ILE . 2.9 p90 -161.22 150.99 16.99 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.22 -0.9 . . . . 0.31 109.158 179.802 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 551' ' ' ILE . . . . . 0.47 HG23 ' C4 ' ' B' ' 5' ' ' ' U' . 77.1 mt -144.39 123.95 7.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 N-CA-C 108.396 -0.965 . . . . 0.22 108.396 -175.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 552' ' ' LEU . . . . . 0.462 HD21 HG21 ' A' ' 537' ' ' VAL . 31.5 mt -107.08 114.97 29.36 Favored 'General case' 0 C--N 1.316 -0.877 0 C-N-CA 120.198 -0.601 . . . . 0.43 110.827 -177.561 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 553' ' ' MET . . . . . 0.4 ' SD ' ' HE2' ' A' ' 560' ' ' PHE . 16.6 mtp -104.44 81.03 1.75 Allowed 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 108.366 -0.976 . . . . 1.03 108.366 -176.53 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 554' ' ' LYS . . . . . 0.404 ' HD2' ' HB2' ' A' ' 532' ' ' CYS . 14.1 mmtm -54.03 -29.24 42.98 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 114.703 -1.135 . . . . 1.03 112.533 177.188 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 555' ' ' SER . . . . . . . . . . . . . 65.4 p -69.16 -45.32 70.33 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.65 0.262 . . . . 0.51 111.671 -171.96 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 556' ' ' THR . . . . . 0.439 ' O ' ' HG3' ' A' ' 558' ' ' GLN . 44.1 p -99.83 6.83 45.32 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 112.352 0.501 . . . . 0.45 112.352 -176.169 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 557' ' ' ASN . . . . . . . . . . . . . 32.3 m-80 60.18 42.26 15.65 Favored 'General case' 0 C--O 1.236 0.38 0 CA-C-O 121.522 0.677 . . . . 1.28 110.175 -176.735 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 558' ' ' GLN . . . . . 0.439 ' HG3' ' O ' ' A' ' 556' ' ' THR . 76.9 mt-30 -139.52 167.18 22.68 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.21 -0.904 . . . . 0.84 110.044 -175.143 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 559' ' ' ALA . . . . . . . . . . . . . . . -158.95 165.88 33.1 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.976 0.417 . . . . 0.16 111.531 177.577 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 560' ' ' PHE . . . . . 0.467 ' HB2' ' HB ' ' A' ' 551' ' ' ILE . 83.8 m-85 -119.54 151.0 39.33 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.172 -0.467 . . . . 0.35 111.269 175.401 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 561' ' ' LEU . . . . . 0.538 HD23 ' HE2' ' A' ' 563' ' ' MET . 54.4 tp -137.46 118.81 14.68 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.252 -0.885 . . . . 0.2 109.78 179.836 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 562' ' ' GLU . . . . . 0.549 ' HB2' HD12 ' A' ' 599' ' ' LEU . 28.6 tt0 -99.93 124.96 45.82 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.417 0.627 . . . . 2.09 110.216 178.624 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 563' ' ' MET . . . . . 0.588 ' SD ' ' HA ' ' A' ' 569' ' ' ALA . 26.9 mtt -111.23 146.66 36.56 Favored 'General case' 0 C--N 1.315 -0.898 0 CA-C-N 114.989 -1.005 . . . . 0.39 109.531 -175.595 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 564' ' ' ALA . . . . . . . . . . . . . . . -66.62 -22.81 66.11 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.792 -0.64 . . . . 0.5 112.554 -170.856 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 565' ' ' TYR . . . . . 0.461 ' HB3' ' HG2' ' A' ' 567' ' ' GLU . 83.1 m-85 -143.32 156.8 44.8 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.005 0.431 . . . . 1.15 110.748 -179.878 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 566' ' ' THR . . . . . . . . . . . . . 12.2 t -68.12 -27.21 66.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.512 -0.767 . . . . 0.57 110.576 -178.597 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 567' ' ' GLU . . . . . 0.461 ' HG2' ' HB3' ' A' ' 565' ' ' TYR . 9.3 pt-20 -55.93 -32.97 64.27 Favored 'General case' 0 N--CA 1.462 0.149 0 CA-C-N 115.861 -0.609 . . . . 0.89 110.986 176.612 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 568' ' ' ALA . . . . . 0.608 ' O ' ' HG3' ' A' ' 572' ' ' MET . . . -73.55 -43.99 58.54 Favored 'General case' 0 N--CA 1.45 -0.431 0 CA-C-N 115.608 -0.724 . . . . 0.26 110.938 -176.525 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 569' ' ' ALA . . . . . 0.588 ' HA ' ' SD ' ' A' ' 563' ' ' MET . . . -64.39 -45.66 86.7 Favored 'General case' 0 CA--C 1.518 -0.258 0 CA-C-N 116.136 -0.484 . . . . 0.24 111.316 -174.871 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 570' ' ' GLN . . . . . . . . . . . . . 12.7 pt20 -67.64 -36.17 80.27 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.242 -0.436 . . . . 1.24 110.747 -179.138 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 571' ' ' ALA . . . . . . . . . . . . . . . -64.4 -45.51 87.28 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.238 -0.437 . . . . 0.31 110.972 179.882 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 572' ' ' MET . . . . . 0.608 ' HG3' ' O ' ' A' ' 568' ' ' ALA . 28.3 mtt -68.95 -43.48 74.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.358 -0.383 . . . . 0.47 111.071 -177.657 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 573' ' ' VAL . . . . . 0.531 HG23 ' O ' ' A' ' 569' ' ' ALA . 87.8 t -59.09 -47.94 88.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 C-N-CA 120.943 -0.303 . . . . 0.34 110.46 -178.903 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 574' ' ' GLN . . . . . . . . . . . . . 75.5 mt-30 -66.73 -37.5 84.79 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.847 0.356 . . . . 2.09 111.029 179.666 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 575' ' ' TYR . . . . . . . . . . . . . 86.9 t80 -68.0 -53.17 27.96 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.282 -0.417 . . . . 0.48 111.109 -178.746 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 576' ' ' TYR . . . . . 0.482 ' CD2' HD12 ' A' ' 590' ' ' ILE . 84.2 m-85 -73.72 -12.64 60.78 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 113.055 0.761 . . . . 0.36 113.055 -176.646 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 577' ' ' GLN . . . . . 0.506 ' HG3' ' O ' ' A' ' 573' ' ' VAL . 25.2 mt-30 -78.98 -33.96 44.64 Favored 'General case' 0 C--N 1.323 -0.56 0 C-N-CA 120.314 -0.554 . . . . 1.89 110.242 172.654 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 578' ' ' GLU . . . . . . . . . . . . . 16.5 mm-40 -88.72 -38.87 14.39 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.798 0.332 . . . . 2.14 110.932 177.013 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 579' ' ' LYS . . . . . 0.428 ' O ' ' HA ' ' A' ' 576' ' ' TYR . 97.5 mttt -132.2 92.47 28.8 Favored Pre-proline 0 C--N 1.327 -0.388 0 N-CA-C 109.648 -0.501 . . . . 2.46 109.648 176.601 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 580' ' ' PRO . . . . . . . . . . . . . 57.5 Cg_endo -72.46 160.4 46.86 Favored 'Trans proline' 0 N--CA 1.462 -0.371 0 C-N-CA 122.661 2.241 . . . . 0.37 112.691 -177.17 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 581' ' ' ALA . . . . . . . . . . . . . . . -93.31 133.33 36.65 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.856 -0.611 . . . . 0.27 109.364 176.776 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 582' ' ' ILE . . . . . . . . . . . . . 55.8 mt -99.95 120.42 49.34 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.816 0 CA-C-O 120.819 0.343 . . . . 0.51 110.755 -176.019 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 583' ' ' ILE . . . . . 0.457 HG13 HD11 ' A' ' 588' ' ' LEU . 32.7 mm -123.11 111.59 30.32 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 116.12 -0.491 . . . . 0.51 109.68 176.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 584' ' ' ASN . . . . . . . . . . . . . 20.8 m120 54.73 37.07 27.69 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-O 121.492 0.663 . . . . 1.1 110.583 -177.8 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 585' ' ' GLY . . . . . . . . . . . . . . . 84.59 2.63 88.77 Favored Glycine 0 N--CA 1.447 -0.614 0 CA-C-N 115.12 -0.946 . . . . 0.44 113.872 176.55 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 586' ' ' GLU . . . . . . . . . . . . . 33.6 mt-10 -111.29 126.96 55.45 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 117.375 0.587 . . . . 1.79 110.917 178.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 587' ' ' LYS . . . . . . . . . . . . . 95.0 mttt -73.83 126.16 29.78 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.447 -0.797 . . . . 1.67 111.384 179.631 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 588' ' ' LEU . . . . . 0.482 HD12 HD11 ' A' ' 540' ' ' LEU . 32.6 mt -80.67 141.27 35.08 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.065 0.459 . . . . 0.24 111.322 -179.843 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 589' ' ' LEU . . . . . . . . . . . . . 58.6 tp -112.54 111.21 21.88 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.594 -0.73 . . . . 0.38 110.352 176.905 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 590' ' ' ILE . . . . . 0.482 HD12 ' CD2' ' A' ' 576' ' ' TYR . 21.8 mt -102.61 120.04 51.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 N-CA-C 109.939 -0.393 . . . . 0.26 109.939 175.68 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 591' ' ' ARG . . . . . . . . . . . . . 76.4 mtt180 -147.5 165.63 29.71 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.996 0.427 . . . . 2.62 110.475 -177.78 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 592' ' ' MET . . . . . . . . . . . . . 62.9 mtt -82.32 136.98 34.92 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.902 -0.59 . . . . 0.34 110.561 -178.161 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 593' ' ' SER . . . . . 0.595 ' HB3' ' O2 ' ' B' ' 3' ' ' ' C' . 18.1 m -81.81 139.09 34.98 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.04 0.448 . . . . 1.37 111.528 -177.428 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 594' ' ' THR . . . . . . . . . . . . . 18.9 p -92.8 -13.51 29.08 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.123 -0.944 . . . . 0.38 113.028 -177.61 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 595' ' ' ARG . . . . . 0.479 ' HD2' " O2'" ' B' ' 3' ' ' ' C' . 68.5 mtt180 -103.14 -29.74 11.14 Favored 'General case' 0 N--CA 1.465 0.287 0 N-CA-C 113.149 0.796 . . . . 2.75 113.149 -170.927 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 596' ' ' TYR . . . . . . . . . . . . . 50.6 m-85 -117.69 146.98 43.35 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 112.471 0.545 . . . . 0.65 112.471 -175.781 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 597' ' ' LYS . . . . . 0.48 ' N ' ' HD2' ' A' ' 597' ' ' LYS . 0.5 OUTLIER -108.44 -12.7 14.98 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.37 -0.832 . . . . 2.18 111.611 178.701 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 598' ' ' GLU . . . . . . . . . . . . . 45.4 tt0 -146.37 149.45 33.8 Favored 'General case' 0 C--N 1.326 -0.441 0 C-N-CA 120.66 -0.416 . . . . 0.95 111.005 178.894 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 599' ' ' LEU . . . . . 0.814 HD21 HG13 ' A' ' 521' ' ' VAL . 72.8 mt -105.54 126.01 51.64 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.448 -0.796 . . . . 0.45 111.238 177.627 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 600' ' ' GLN . . . . . . . . . . . . . 28.5 tt0 -110.19 127.24 54.83 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.878 -0.601 . . . . 1.52 110.305 179.398 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 601' ' ' LEU . . . . . . . . . . . . . 68.4 mt -81.65 94.38 6.94 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.815 0.341 . . . . 0.46 110.817 -179.764 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 602' ' ' LYS . . . . . . . . . . . . . 96.6 mttt -76.31 -15.3 60.02 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.106 0.479 . . . . 1.73 110.56 176.45 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 603' ' ' LYS . . . . . . . . . . . . . 33.6 mmtp -119.5 155.59 54.09 Favored Pre-proline 0 C--N 1.324 -0.511 0 CA-C-N 115.853 -0.612 . . . . 1.69 109.825 179.086 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 604' ' ' PRO . . . . . . . . . . . . . 21.3 Cg_endo -61.31 153.5 65.06 Favored 'Trans proline' 0 C--N 1.346 0.423 0 C-N-CA 122.867 2.378 . . . . 1.21 112.52 178.957 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 605' ' ' GLY . . . . . . . . . . . . . . . -116.44 164.72 12.28 Favored Glycine 0 N--CA 1.435 -1.374 0 C-N-CA 120.909 -0.663 . . . . 1.23 111.928 -179.842 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 606' ' ' LYS . . . . . . . . . . . . . 87.9 mttt -116.64 153.07 32.94 Favored 'General case' 0 C--N 1.307 -1.244 0 N-CA-C 108.391 -0.966 . . . . 3.47 108.391 177.697 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 607' ' ' ASN . . . . . . . . . . . . . 30.3 t30 -56.54 120.84 8.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.266 0.555 . . . . 1.33 111.039 179.219 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 608' ' ' VAL . . . . . 0.612 HG11 ' HB ' ' A' ' 547' ' ' VAL . 92.5 t -89.12 -20.97 6.99 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.684 0 CA-C-N 115.275 -0.875 . . . . 0.3 110.868 -174.121 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 609' ' ' ALA . . . . . . . . . . . . . . . -63.67 -34.52 78.03 Favored 'General case' 0 C--O 1.239 0.503 0 CA-C-O 121.606 0.717 . . . . 0.44 110.027 174.175 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 610' ' ' ALA . . . . . . . . . . . . . . . -65.72 -27.27 68.2 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.431 -0.804 . . . . 0.4 110.017 175.72 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 611' ' ' ILE . . . . . 0.469 ' O ' ' HB3' ' A' ' 614' ' ' ASP . 75.0 mt -72.05 -29.44 32.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 115.792 -0.64 . . . . 0.25 109.904 177.915 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 612' ' ' ILE . . . . . . . . . . . . . 64.4 mt -61.19 -43.93 97.37 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.238 0 N-CA-C 109.519 -0.549 . . . . 0.31 109.519 171.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 613' ' ' GLN . . . . . . . . . . . . . 33.0 mm-40 -62.82 -32.89 74.18 Favored 'General case' 0 N--CA 1.463 0.194 0 CA-C-N 115.926 -0.579 . . . . 2.31 110.241 174.632 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 614' ' ' ASP . . . . . 0.469 ' HB3' ' O ' ' A' ' 611' ' ' ILE . 31.6 t70 -65.5 -44.97 85.36 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.071 -0.968 . . . . 1.95 110.43 179.604 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 615' ' ' ILE . . . . . 0.517 ' CD1' ' HB2' ' A' ' 542' ' ' LEU . 91.6 mt -62.67 -45.52 98.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 115.931 -0.577 . . . . 0.35 110.997 177.953 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 616' ' ' HIS . . . . . . . . . . . . . 34.1 m80 -65.09 -32.73 74.57 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.077 -0.51 . . . . 1.26 111.246 -179.593 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 617' ' ' SER . . . . . . . . . . . . . 22.8 t -71.38 -36.52 71.45 Favored 'General case' 0 N--CA 1.449 -0.476 0 CA-C-N 116.281 -0.418 . . . . 1.18 110.339 179.412 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 618' ' ' GLN . . . . . . . . . . . . . 14.0 mm100 -92.93 -1.9 56.3 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.046 0.451 . . . . 4.68 111.129 -178.053 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 619' ' ' ARG . . . . . . . . . . . . . 59.6 mtp180 61.57 37.75 16.06 Favored 'General case' 0 C--O 1.233 0.213 0 CA-C-N 115.322 -0.854 . . . . 7.77 112.029 176.893 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 620' ' ' GLU . . . . . . . . . . . . . 48.2 mt-10 65.85 146.74 0.04 OUTLIER 'General case' 0 N--CA 1.471 0.589 0 O-C-N 123.722 0.639 . . . . 7.92 112.691 179.039 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 621' ' ' ARG . . . . . . . . . . . . . 24.1 ttm180 . . . . . 0 C--O 1.25 1.1 0 CA-C-N 115.184 -0.917 . . . . 11.0 111.872 174.162 . . . . . . . . 0 0 . 1 . 021 nuclear build full ' B' B ' 1' ' ' ADN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 021 nuclear build full ' B' B ' 2' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.934 0 C4'-C3'-C2' 104.237 1.537 . 0.0 '__' . 2.99 . . . . . . . . . . 0 0 . 1 . 021 nuclear build full ' B' B ' 3' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.939 0 C4'-C3'-C2' 104.032 1.332 . 0.0 OUTLIER . 1.58 . . . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 4' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.807 0 C3'-C2'-C1' 100.147 -1.503 . 0.0 OUTLIER gamma 1.15 . . . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 5' ' ' ' U' . . . . . 0.531 " H4'" ' HA ' ' A' ' 553' ' ' MET . . . . . . . . 0 O5'--C5' 1.425 -0.91 0 C4'-C3'-C2' 104.077 1.377 . 0.0 OUTLIER alpha 1.33 . . . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 6' ' ' ' A' . . . . . 0.526 ' C2 ' " H2'" ' B' ' 5' ' ' ' U' . . . . . . . . 0 O5'--C5' 1.426 -0.88 0 C3'-C2'-C1' 100.761 -0.821 . 0.0 OUTLIER . 4.23 . . . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 510' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.62 0 N-CA-C 111.952 -0.459 . . . . 8.88 111.952 . . . . . . . . . 0 0 . 1 . 021 nuclear build full ' A' A ' 511' ' ' ALA . . . . . . . . . . . . . . . -96.01 100.36 12.04 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.989 0.423 . . . . 6.64 110.466 -179.206 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 512' ' ' MET . . . . . . . . . . . . . 1.7 pmm? -83.64 150.46 25.88 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.928 -0.578 . . . . 6.33 109.991 179.691 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 513' ' ' ALA . . . . . 0.603 ' O ' ' HG2' ' A' ' 516' ' ' LYS . . . 59.3 33.68 22.64 Favored 'General case' 0 C--N 1.332 -0.178 0 O-C-N 123.588 0.555 . . . . 4.2 111.036 178.898 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 514' ' ' GLN . . . . . . . . . . . . . 15.7 mm100 65.72 -76.94 0.04 OUTLIER 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 115.847 -0.615 . . . . 2.88 109.81 -173.135 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 515' ' ' ARG . . . . . . . . . . . . . 64.3 mtp180 -156.47 -69.0 0.11 Allowed 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 108.916 -0.772 . . . . 4.0 108.916 175.693 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 516' ' ' LYS . . . . . 0.603 ' HG2' ' O ' ' A' ' 513' ' ' ALA . 63.2 mmtt 54.11 47.04 24.14 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 115.405 -0.816 . . . . 1.89 110.432 178.934 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 517' ' ' GLY . . . . . . . . . . . . . . . -131.56 128.98 5.52 Favored Glycine 0 N--CA 1.445 -0.713 0 N-CA-C 110.164 -1.174 . . . . 2.04 110.164 175.875 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 518' ' ' ALA . . . . . . . . . . . . . . . 57.55 35.83 26.21 Favored 'General case' 0 C--O 1.232 0.167 0 CA-C-O 121.576 0.703 . . . . 1.75 109.456 -171.159 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 519' ' ' GLY . . . . . . . . . . . . . . . 150.6 113.95 0.64 Allowed Glycine 0 N--CA 1.445 -0.766 0 CA-C-N 115.087 -0.96 . . . . 0.67 111.213 -176.109 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 520' ' ' ARG . . . . . 0.407 HH11 ' HD3' ' A' ' 520' ' ' ARG . 21.6 mtm-85 -122.11 132.99 54.76 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 117.318 0.559 . . . . 2.22 110.676 176.691 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 521' ' ' VAL . . . . . 0.667 HG13 HD21 ' A' ' 599' ' ' LEU . 65.4 t -120.29 126.0 74.8 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 115.636 -0.711 . . . . 0.32 110.772 168.268 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 522' ' ' VAL . . . . . 0.545 ' HB ' ' O ' ' A' ' 561' ' ' LEU . 21.9 t -119.37 121.5 66.64 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.796 0 N-CA-C 107.368 -1.345 . . . . 0.22 107.368 172.452 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 523' ' ' HIS . . . . . . . . . . . . . 39.9 t-80 -106.4 129.91 54.31 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 121.229 0.538 . . . . 0.44 110.884 -172.198 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 524' ' ' ILE . . . . . 0.464 HG23 HG12 ' A' ' 590' ' ' ILE . 32.3 mt -111.11 140.52 30.01 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.918 0 N-CA-C 108.692 -0.855 . . . . 0.19 108.692 179.149 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 525' ' ' CYS . . . . . 0.475 ' O ' ' HB2' ' A' ' 526' ' ' ASN . 4.0 p -140.39 162.75 34.57 Favored 'General case' 0 C--N 1.316 -0.889 0 C-N-CA 120.606 -0.438 . . . . 1.17 111.827 -175.814 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 526' ' ' ASN . . . . . 0.475 ' HB2' ' O ' ' A' ' 525' ' ' CYS . 95.3 m-20 87.62 28.2 0.03 OUTLIER 'General case' 0 N--CA 1.472 0.658 0 O-C-N 124.922 1.389 . . . . 0.26 110.651 177.732 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 527' ' ' LEU . . . . . 0.42 ' HA ' ' HD3' ' A' ' 528' ' ' PRO . 90.0 mt -84.03 125.14 73.47 Favored Pre-proline 0 C--N 1.321 -0.646 0 N-CA-C 108.348 -0.982 . . . . 0.25 108.348 177.118 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 528' ' ' PRO . . . . . 0.42 ' HD3' ' HA ' ' A' ' 527' ' ' LEU . 3.1 Cg_exo -73.5 134.43 20.54 Favored 'Trans proline' 0 N--CA 1.458 -0.6 0 C-N-CA 121.446 1.431 . . . . 0.38 111.678 -178.734 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 529' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -64.61 138.3 58.32 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.029 -0.532 . . . . 1.6 109.568 178.153 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 530' ' ' GLY . . . . . . . . . . . . . . . 85.35 4.72 85.88 Favored Glycine 0 N--CA 1.445 -0.705 0 C-N-CA 120.07 -1.062 . . . . 0.48 111.157 -173.811 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 531' ' ' SER . . . . . . . . . . . . . 50.6 m -150.69 10.22 0.63 Allowed 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.142 0.496 . . . . 1.08 110.292 -176.249 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 532' ' ' CYS . . . . . 0.558 ' HB2' ' HD2' ' A' ' 554' ' ' LYS . 66.6 m -89.77 88.93 7.55 Favored 'General case' 0 N--CA 1.451 -0.417 0 N-CA-C 108.639 -0.874 . . . . 0.25 108.639 178.448 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 533' ' ' THR . . . . . 0.531 ' O ' HG23 ' A' ' 537' ' ' VAL . 72.6 p -102.03 151.1 22.55 Favored 'General case' 0 N--CA 1.443 -0.796 0 N-CA-C 109.018 -0.734 . . . . 0.35 109.018 -178.118 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 534' ' ' GLU . . . . . 0.782 ' HA ' HD11 ' A' ' 552' ' ' LEU . 13.0 mp0 -65.73 -33.78 76.67 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-O 121.472 0.653 . . . . 1.64 109.283 177.838 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 535' ' ' ASN . . . . . . . . . . . . . 64.6 t30 -62.32 -49.3 76.16 Favored 'General case' 0 N--CA 1.447 -0.611 0 CA-C-N 114.599 -1.182 . . . . 1.82 110.911 -176.373 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 536' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -70.42 -42.97 70.91 Favored 'General case' 0 N--CA 1.472 0.635 0 CA-C-O 121.109 0.48 . . . . 0.61 111.808 -173.25 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 537' ' ' VAL . . . . . 0.531 HG23 ' O ' ' A' ' 533' ' ' THR . 34.9 t -59.89 -47.61 90.9 Favored 'Isoleucine or valine' 0 C--O 1.243 0.736 0 CA-C-O 122.14 0.972 . . . . 0.15 109.694 -179.451 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 538' ' ' ILE . . . . . 0.602 HD11 ' CG ' ' A' ' 550' ' ' TYR . 68.0 mt -68.3 -33.1 58.58 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.772 0 CA-C-N 115.056 -0.974 . . . . 0.23 111.323 175.855 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 539' ' ' ASN . . . . . 0.494 ' HA ' HD11 ' A' ' 615' ' ' ILE . 96.9 m-20 -57.46 -28.19 63.13 Favored 'General case' 0 CA--C 1.513 -0.446 0 N-CA-C 110.366 -0.235 . . . . 0.25 110.366 177.279 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 540' ' ' LEU . . . . . 0.555 HD11 HD12 ' A' ' 588' ' ' LEU . 74.0 mt -76.45 -41.52 47.08 Favored 'General case' 0 C--N 1.323 -0.567 0 C-N-CA 120.668 -0.413 . . . . 0.27 110.326 174.421 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 541' ' ' GLY . . . . . 0.502 ' HA3' HD21 ' A' ' 561' ' ' LEU . . . -65.95 -52.63 35.98 Favored Glycine 0 CA--C 1.524 0.651 0 N-CA-C 115.533 0.973 . . . . 0.19 115.533 -179.122 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 542' ' ' LEU . . . . . 0.49 HD23 ' H ' ' A' ' 547' ' ' VAL . 48.4 mt -55.63 -47.05 99.53 Favored Pre-proline 0 C--N 1.32 -0.678 0 N-CA-C 115.007 1.484 . . . . 0.2 115.007 -168.711 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 543' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_exo -58.08 -23.79 62.72 Favored 'Trans proline' 0 C--N 1.348 0.529 0 C-N-CA 122.25 1.966 . . . . 0.23 114.303 -176.058 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 544' ' ' PHE . . . . . . . . . . . . . 99.6 m-85 -101.63 -16.57 16.68 Favored 'General case' 0 C--O 1.233 0.207 0 O-C-N 121.916 -0.49 . . . . 0.33 111.131 177.744 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 545' ' ' GLY . . . . . 0.478 ' O ' ' HA ' ' A' ' 542' ' ' LEU . . . -179.47 152.6 11.19 Favored Glycine 0 N--CA 1.448 -0.507 0 C-N-CA 120.723 -0.751 . . . . 0.44 112.004 -179.22 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 546' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -66.18 129.59 40.32 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 120.989 0.423 . . . . 2.07 110.79 -178.481 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 547' ' ' VAL . . . . . 0.617 ' HB ' HG11 ' A' ' 608' ' ' VAL . 72.8 t -86.08 114.66 26.08 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 CA-C-N 115.63 -0.714 . . . . 0.2 110.117 177.752 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 548' ' ' THR . . . . . . . . . . . . . 25.5 p -92.06 -36.33 13.42 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.14 -0.482 . . . . 0.31 111.363 -179.44 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 549' ' ' ASN . . . . . . . . . . . . . 44.6 m-80 -145.58 156.77 43.9 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.96 -0.564 . . . . 1.26 110.368 178.642 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 550' ' ' TYR . . . . . 0.602 ' CG ' HD11 ' A' ' 538' ' ' ILE . 3.9 p90 -157.3 150.99 24.21 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 116.109 -0.496 . . . . 0.31 109.708 -179.038 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 551' ' ' ILE . . . . . 0.449 ' HB ' ' HB2' ' A' ' 560' ' ' PHE . 52.0 mt -144.05 123.81 8.14 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 N-CA-C 108.04 -1.096 . . . . 0.22 108.04 -179.857 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 552' ' ' LEU . . . . . 0.782 HD11 ' HA ' ' A' ' 534' ' ' GLU . 21.0 mt -108.06 130.47 55.08 Favored 'General case' 0 C--N 1.313 -1.003 0 C-N-CA 119.074 -1.05 . . . . 0.43 110.322 179.988 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 553' ' ' MET . . . . . 0.531 ' HA ' " H4'" ' B' ' 5' ' ' ' U' . 65.7 mtm -109.19 83.31 1.73 Allowed 'General case' 0 C--N 1.318 -0.78 0 N-CA-C 108.695 -0.854 . . . . 1.03 108.695 179.179 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 554' ' ' LYS . . . . . 0.558 ' HD2' ' HB2' ' A' ' 532' ' ' CYS . 20.8 mmtp -53.17 -28.07 24.52 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 114.703 -1.135 . . . . 1.03 112.174 175.948 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 555' ' ' SER . . . . . . . . . . . . . 64.1 p -69.16 -44.09 72.96 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.71 0.29 . . . . 0.51 111.505 -175.869 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 556' ' ' THR . . . . . . . . . . . . . 41.8 p -98.75 4.13 47.69 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 112.372 0.508 . . . . 0.45 112.372 -174.895 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 557' ' ' ASN . . . . . . . . . . . . . 40.2 m-80 58.72 37.86 25.04 Favored 'General case' 0 N--CA 1.467 0.419 0 CA-C-O 121.585 0.707 . . . . 1.28 110.416 -176.657 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 558' ' ' GLN . . . . . . . . . . . . . 26.8 mt-30 -143.65 167.19 22.84 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.224 -0.898 . . . . 0.84 109.193 -176.56 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 559' ' ' ALA . . . . . . . . . . . . . . . -157.77 166.53 32.5 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 112.601 0.593 . . . . 0.16 112.601 -175.475 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 560' ' ' PHE . . . . . 0.449 ' HB2' ' HB ' ' A' ' 551' ' ' ILE . 89.7 m-85 -120.32 143.31 48.44 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.278 -0.874 . . . . 0.35 110.443 177.624 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 561' ' ' LEU . . . . . 0.545 ' O ' ' HB ' ' A' ' 522' ' ' VAL . 61.2 tp -135.83 119.74 17.43 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.999 -0.546 . . . . 0.2 110.34 -178.692 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 562' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -102.51 136.38 42.44 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.152 0.501 . . . . 2.09 110.204 177.317 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 563' ' ' MET . . . . . 0.63 ' SD ' ' HA ' ' A' ' 569' ' ' ALA . 34.9 mtt -120.1 163.43 17.69 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.52 -0.764 . . . . 0.39 109.801 -172.424 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 564' ' ' ALA . . . . . . . . . . . . . . . -62.95 -43.24 99.33 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 118.203 0.456 . . . . 0.5 111.698 -172.6 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 565' ' ' TYR . . . . . . . . . . . . . 89.1 m-85 -135.45 161.99 33.9 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 120.975 0.417 . . . . 1.15 111.148 -179.347 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 566' ' ' THR . . . . . . . . . . . . . 14.1 t -64.7 -27.95 69.26 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-N 115.634 -0.712 . . . . 0.57 110.8 -178.499 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 567' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -58.84 -32.62 69.58 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-N 116.06 -0.518 . . . . 0.89 111.089 178.619 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 568' ' ' ALA . . . . . 0.672 ' O ' ' HG3' ' A' ' 572' ' ' MET . . . -73.79 -41.53 62.25 Favored 'General case' 0 N--CA 1.45 -0.467 0 CA-C-N 116.115 -0.493 . . . . 0.26 110.056 -178.506 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 569' ' ' ALA . . . . . 0.63 ' HA ' ' SD ' ' A' ' 563' ' ' MET . . . -63.32 -46.08 88.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.853 -0.612 . . . . 0.24 111.292 -176.325 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 570' ' ' GLN . . . . . . . . . . . . . 17.0 pt20 -68.24 -36.4 79.4 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.188 -0.46 . . . . 1.24 110.654 -178.265 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 571' ' ' ALA . . . . . . . . . . . . . . . -64.5 -44.77 89.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.124 -0.489 . . . . 0.31 111.133 179.893 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 572' ' ' MET . . . . . 0.672 ' HG3' ' O ' ' A' ' 568' ' ' ALA . 26.1 mtt -69.18 -42.62 75.6 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.539 -0.3 . . . . 0.47 110.805 -178.938 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 573' ' ' VAL . . . . . 0.517 HG23 ' O ' ' A' ' 569' ' ' ALA . 75.1 t -59.38 -46.53 92.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 N-CA-C 110.315 -0.254 . . . . 0.34 110.315 179.199 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 574' ' ' GLN . . . . . 0.421 ' HA ' ' OE1' ' A' ' 574' ' ' GLN . 14.6 mm-40 -61.14 -38.07 85.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.954 0.406 . . . . 2.09 110.722 178.039 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 575' ' ' TYR . . . . . . . . . . . . . 87.9 t80 -69.48 -53.16 20.54 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.761 -0.654 . . . . 0.48 111.366 -178.05 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 576' ' ' TYR . . . . . 0.509 ' CD2' HD12 ' A' ' 590' ' ' ILE . 94.5 m-85 -77.01 -13.79 59.91 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 112.997 0.74 . . . . 0.36 112.997 -174.378 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 577' ' ' GLN . . . . . 0.496 ' HG3' ' O ' ' A' ' 573' ' ' VAL . 48.3 mt-30 -75.03 -32.19 61.52 Favored 'General case' 0 C--N 1.326 -0.435 0 C-N-CA 120.061 -0.656 . . . . 1.89 109.419 171.786 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 578' ' ' GLU . . . . . . . . . . . . . 17.3 mm-40 -89.91 -38.94 13.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.943 -0.572 . . . . 2.14 111.516 176.181 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 579' ' ' LYS . . . . . . . . . . . . . 58.8 mtpt -134.31 85.56 38.2 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 116.719 -0.218 . . . . 2.46 110.864 -179.624 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 580' ' ' PRO . . . . . . . . . . . . . 36.4 Cg_endo -65.71 160.1 45.18 Favored 'Trans proline' 0 C--O 1.233 0.259 0 C-N-CA 122.826 2.351 . . . . 0.37 112.388 178.683 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 581' ' ' ALA . . . . . . . . . . . . . . . -93.04 144.82 24.88 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.352 -0.385 . . . . 0.27 110.195 -179.994 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 582' ' ' ILE . . . . . . . . . . . . . 59.1 mt -101.27 121.82 52.61 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 N-CA-C 111.865 0.32 . . . . 0.51 111.865 -176.937 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 583' ' ' ILE . . . . . 0.455 ' CG1' HD11 ' A' ' 588' ' ' LEU . 30.3 mm -126.78 111.16 25.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 N-CA-C 109.139 -0.689 . . . . 0.51 109.139 170.16 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 584' ' ' ASN . . . . . . . . . . . . . 11.0 m120 56.13 35.77 26.25 Favored 'General case' 0 N--CA 1.464 0.275 0 CA-C-O 121.533 0.682 . . . . 1.1 110.514 -179.387 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 585' ' ' GLY . . . . . . . . . . . . . . . 83.8 6.91 86.53 Favored Glycine 0 N--CA 1.443 -0.849 0 CA-C-N 115.307 -0.861 . . . . 0.44 113.546 177.287 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 586' ' ' GLU . . . . . . . . . . . . . 20.3 mm-40 -101.14 125.07 47.73 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 117.367 0.583 . . . . 1.79 110.593 177.353 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 587' ' ' LYS . . . . . . . . . . . . . 74.0 mmtt -74.56 111.39 9.7 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.679 -0.692 . . . . 1.67 110.51 174.497 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 588' ' ' LEU . . . . . 0.555 HD12 HD11 ' A' ' 540' ' ' LEU . 56.1 mt -78.54 134.4 37.26 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.791 0.329 . . . . 0.24 110.767 -178.957 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 589' ' ' LEU . . . . . 0.453 ' HB3' ' SG ' ' A' ' 525' ' ' CYS . 57.9 tp -112.8 114.24 26.7 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.05 -0.523 . . . . 0.38 110.864 -178.191 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 590' ' ' ILE . . . . . 0.509 HD12 ' CD2' ' A' ' 576' ' ' TYR . 21.6 mt -100.35 120.88 50.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 N-CA-C 109.938 -0.393 . . . . 0.26 109.938 175.847 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 591' ' ' ARG . . . . . . . . . . . . . 69.4 mtp180 -146.89 165.42 29.81 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 109.633 -0.506 . . . . 2.62 109.633 -177.707 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 592' ' ' MET . . . . . 0.483 ' SD ' ' HB1' ' A' ' 513' ' ' ALA . 55.7 mtt -83.01 141.74 31.86 Favored 'General case' 0 C--N 1.319 -0.761 0 C-N-CA 120.911 -0.316 . . . . 0.34 110.54 -178.141 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 593' ' ' SER . . . . . . . . . . . . . 48.3 t -79.22 133.32 36.68 Favored 'General case' 0 C--O 1.239 0.521 0 CA-C-O 121.213 0.53 . . . . 1.37 111.166 -177.845 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 594' ' ' THR . . . . . . . . . . . . . 19.4 p -90.0 -14.95 32.9 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 114.578 -1.192 . . . . 0.38 111.342 179.179 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 595' ' ' ARG . . . . . . . . . . . . . 94.4 mtt180 -100.92 -29.53 12.16 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.758 0.313 . . . . 2.75 111.822 -173.084 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 596' ' ' TYR . . . . . . . . . . . . . 68.5 m-85 -118.87 143.29 47.06 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.424 0.631 . . . . 0.65 112.112 -175.663 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 597' ' ' LYS . . . . . . . . . . . . . 24.6 mmtp -107.5 -21.5 12.88 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 114.873 -1.058 . . . . 2.18 110.16 179.762 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 598' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -142.31 150.87 41.39 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.981 0.419 . . . . 0.95 110.812 -175.89 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 599' ' ' LEU . . . . . 0.667 HD21 HG13 ' A' ' 521' ' ' VAL . 74.0 mt -111.56 121.14 44.37 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.737 -0.665 . . . . 0.45 110.65 177.733 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 600' ' ' GLN . . . . . . . . . . . . . 28.8 tt0 -112.01 114.01 26.64 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.894 -0.593 . . . . 1.52 110.346 179.771 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 601' ' ' LEU . . . . . . . . . . . . . 57.6 mt -72.18 105.98 4.21 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.886 0.374 . . . . 0.46 111.039 179.186 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 602' ' ' LYS . . . . . . . . . . . . . 55.8 mtmt -90.33 -11.05 41.83 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 121.279 0.562 . . . . 1.73 110.069 174.01 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 603' ' ' LYS . . . . . 0.475 ' HE3' ' N3 ' ' B' ' 6' ' ' ' A' . 74.3 mmtt -119.83 148.05 45.53 Favored Pre-proline 0 C--N 1.325 -0.499 0 CA-C-N 115.468 -0.787 . . . . 1.69 109.706 177.605 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 604' ' ' PRO . . . . . . . . . . . . . 40.5 Cg_endo -67.57 149.3 79.57 Favored 'Trans proline' 0 C--N 1.344 0.339 0 C-N-CA 122.517 2.145 . . . . 1.21 112.221 -179.472 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 605' ' ' GLY . . . . . . . . . . . . . . . -114.04 176.94 17.47 Favored Glycine 0 N--CA 1.437 -1.293 0 C-N-CA 120.834 -0.698 . . . . 1.23 111.492 -177.68 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 606' ' ' LYS . . . . . . . . . . . . . 32.8 mmtp -115.15 158.5 22.12 Favored 'General case' 0 C--N 1.307 -1.239 0 N-CA-C 108.684 -0.858 . . . . 3.47 108.684 179.533 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 607' ' ' ASN . . . . . . . . . . . . . 32.0 t30 -57.43 120.61 8.53 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.295 0.569 . . . . 1.33 110.885 176.056 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 608' ' ' VAL . . . . . 0.617 HG11 ' HB ' ' A' ' 547' ' ' VAL . 95.3 t -86.05 -18.44 8.83 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 CA-C-N 115.281 -0.872 . . . . 0.3 111.053 -175.786 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 609' ' ' ALA . . . . . . . . . . . . . . . -63.05 -34.67 78.08 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.291 0.567 . . . . 0.44 110.501 175.625 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 610' ' ' ALA . . . . . . . . . . . . . . . -65.55 -27.31 68.35 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.659 -0.7 . . . . 0.4 110.334 177.168 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 611' ' ' ILE . . . . . 0.441 ' O ' HG13 ' A' ' 615' ' ' ILE . 74.3 mt -71.97 -32.14 43.03 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.466 0 CA-C-N 115.629 -0.714 . . . . 0.25 109.951 178.047 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 612' ' ' ILE . . . . . 0.467 HG12 HD13 ' A' ' 542' ' ' LEU . 63.3 mt -61.11 -44.27 97.96 Favored 'Isoleucine or valine' 0 C--O 1.235 0.298 0 CA-C-O 121.108 0.48 . . . . 0.31 110.1 173.348 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 613' ' ' GLN . . . . . . . . . . . . . 74.8 mt-30 -63.39 -30.28 71.44 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.66 -0.7 . . . . 2.31 109.907 176.331 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 614' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -69.64 -44.52 70.42 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 114.739 -1.119 . . . . 1.95 110.137 -179.035 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 615' ' ' ILE . . . . . 0.494 HD11 ' HA ' ' A' ' 539' ' ' ASN . 88.0 mt -61.34 -48.55 88.38 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.246 0 CA-C-N 115.954 -0.566 . . . . 0.35 110.61 178.675 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 616' ' ' HIS . . . . . . . . . . . . . 14.7 m170 -63.54 -29.06 70.38 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.586 -0.734 . . . . 1.26 111.256 -177.835 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 617' ' ' SER . . . . . . . . . . . . . 11.2 t -69.48 -34.94 75.09 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.167 -0.469 . . . . 1.18 110.202 178.254 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 618' ' ' GLN . . . . . . . . . . . . . 85.8 mm-40 -83.81 -59.19 2.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.018 -0.537 . . . . 4.68 110.81 178.703 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 619' ' ' ARG . . . . . . . . . . . . . 53.4 mtm180 -123.75 106.44 10.51 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.37 -0.377 . . . . 7.77 110.145 -179.777 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 620' ' ' GLU . . . . . . . . . . . . . 42.9 tt0 -88.87 140.58 29.29 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 109.952 -0.388 . . . . 7.92 109.952 174.912 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 621' ' ' ARG . . . . . . . . . . . . . 23.5 mtm180 . . . . . 0 C--O 1.249 1.073 0 CA-C-O 118.368 -0.825 . . . . 11.0 110.114 179.778 . . . . . . . . 0 0 . 1 . 022 nuclear build full ' B' B ' 1' ' ' ADN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 022 nuclear build full ' B' B ' 2' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.953 0 C3'-C2'-C1' 99.523 -2.197 . 0.0 '__' . 2.99 . . . . . . . . . . 0 0 . 1 . 022 nuclear build full ' B' B ' 3' ' ' ' C' . . . . . 0.604 ' O2 ' ' HB3' ' A' ' 593' ' ' SER . . . . . . . . 0 O5'--C5' 1.426 -0.899 0 C4'-C3'-C2' 103.813 1.113 . 0.0 OUTLIER . 1.58 . . . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 4' ' ' ' U' . . . . . 0.44 HO2' ' HE2' ' A' ' 602' ' ' LYS . . . . . . . . 0 O5'--C5' 1.426 -0.901 0 O4'-C1'-N19 110.264 2.064 . 0.0 OUTLIER gamma 1.15 . . . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 5' ' ' ' U' . . . . . 0.587 ' N3 ' HG23 ' A' ' 551' ' ' ILE . . . . . . . . 0 O5'--C5' 1.426 -0.869 0 C4'-C3'-C2' 104.075 1.375 . 0.109 4b . 1.33 . . . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 6' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.941 0 C3'-C2'-C1' 100.643 -0.952 . 0.338 2[ . 4.23 . . . . . . . . . . 0 0 . 1 . 022 nuclear build full ' A' A ' 510' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 2.0 0 N-CA-C 112.664 -0.174 . . . . 8.88 112.664 . . . . . . . . . 0 0 . 1 . 022 nuclear build full ' A' A ' 511' ' ' ALA . . . . . . . . . . . . . . . -86.67 -35.69 19.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.818 0.342 . . . . 6.64 111.095 179.943 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 512' ' ' MET . . . . . . . . . . . . . 23.7 ptt? -89.56 92.68 9.19 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.264 0.554 . . . . 6.33 110.468 179.799 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 513' ' ' ALA . . . . . . . . . . . . . . . 67.8 -175.74 0.2 Allowed 'General case' 0 C--O 1.236 0.345 0 CA-C-N 115.158 -0.928 . . . . 4.2 111.12 -178.26 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 514' ' ' GLN . . . . . 0.452 ' OE1' ' HA ' ' A' ' 594' ' ' THR . 15.4 mm100 72.13 -62.19 0.47 Allowed 'General case' 0 N--CA 1.467 0.377 0 C-N-CA 123.375 0.67 . . . . 2.88 111.421 -178.816 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 515' ' ' ARG . . . . . . . . . . . . . 33.6 mmt180 51.07 48.97 22.1 Favored 'General case' 0 N--CA 1.465 0.298 0 O-C-N 123.546 0.528 . . . . 4.0 111.717 174.514 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 516' ' ' LYS . . . . . . . . . . . . . 40.4 mmtm -91.17 34.21 0.94 Allowed 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.144 -0.48 . . . . 1.89 111.314 -175.583 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 517' ' ' GLY . . . . . . . . . . . . . . . -124.04 19.41 7.32 Favored Glycine 0 N--CA 1.45 -0.428 0 C-N-CA 120.854 -0.688 . . . . 2.04 111.56 175.394 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 518' ' ' ALA . . . . . . . . . . . . . . . -161.99 66.61 0.25 Allowed 'General case' 0 C--N 1.312 -1.062 0 N-CA-C 107.829 -1.174 . . . . 1.75 107.829 179.557 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 519' ' ' GLY . . . . . . . . . . . . . . . 102.1 133.81 8.2 Favored Glycine 0 N--CA 1.44 -1.034 0 N-CA-C 109.286 -1.526 . . . . 0.67 109.286 -164.036 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 520' ' ' ARG . . . . . . . . . . . . . 22.1 mtm-85 -135.55 133.2 38.12 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 117.813 0.806 . . . . 2.22 111.162 179.304 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 521' ' ' VAL . . . . . 0.833 HG13 HD21 ' A' ' 599' ' ' LEU . 90.5 t -117.19 120.29 64.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-N 115.565 -0.743 . . . . 0.32 110.409 172.302 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 522' ' ' VAL . . . . . 0.512 ' HB ' ' O ' ' A' ' 561' ' ' LEU . 21.9 t -121.44 121.78 65.53 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.811 0 N-CA-C 108.255 -1.017 . . . . 0.22 108.255 176.003 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 523' ' ' HIS . . . . . 0.417 ' HD2' ' CE1' ' A' ' 560' ' ' PHE . 59.3 t-80 -105.86 134.05 49.6 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.139 0.495 . . . . 0.44 110.664 -174.559 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 524' ' ' ILE . . . . . 0.487 HG23 HG12 ' A' ' 590' ' ' ILE . 24.9 mt -111.26 137.94 41.7 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.786 0 N-CA-C 108.42 -0.955 . . . . 0.19 108.42 177.748 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 525' ' ' CYS . . . . . 0.406 ' O ' ' HB2' ' A' ' 526' ' ' ASN . 0.0 OUTLIER -132.65 159.48 39.47 Favored 'General case' 0 C--N 1.319 -0.76 0 C-N-CA 120.539 -0.464 . . . . 1.17 111.639 -170.522 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 526' ' ' ASN . . . . . 0.406 ' HB2' ' O ' ' A' ' 525' ' ' CYS . 81.6 m-20 84.58 30.55 0.06 Allowed 'General case' 0 N--CA 1.47 0.554 0 O-C-N 124.768 1.293 . . . . 0.26 111.078 172.683 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 527' ' ' LEU . . . . . 0.418 ' HA ' ' HD3' ' A' ' 528' ' ' PRO . 84.5 mt -84.17 125.59 71.99 Favored Pre-proline 0 C--N 1.324 -0.502 0 CA-C-N 115.878 -0.601 . . . . 0.25 109.681 179.7 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 528' ' ' PRO . . . . . 0.418 ' HD3' ' HA ' ' A' ' 527' ' ' LEU . 3.1 Cg_exo -71.02 134.53 25.51 Favored 'Trans proline' 0 N--CA 1.458 -0.586 0 C-N-CA 121.558 1.505 . . . . 0.38 111.595 -178.136 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 529' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -66.63 138.35 57.38 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 109.449 -0.574 . . . . 1.6 109.449 176.832 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 530' ' ' GLY . . . . . . . . . . . . . . . 84.88 5.41 86.29 Favored Glycine 0 N--CA 1.445 -0.719 0 C-N-CA 119.995 -1.098 . . . . 0.48 110.721 -172.408 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 531' ' ' SER . . . . . . . . . . . . . 26.3 m -150.44 9.51 0.63 Allowed 'General case' 0 N--CA 1.452 -0.366 0 CA-C-O 121.13 0.491 . . . . 1.08 110.248 -175.635 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 532' ' ' CYS . . . . . . . . . . . . . 81.0 m -89.28 87.3 7.08 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 108.993 -0.743 . . . . 0.25 108.993 177.965 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 533' ' ' THR . . . . . 0.574 ' O ' HG23 ' A' ' 537' ' ' VAL . 82.8 p -104.32 149.04 25.7 Favored 'General case' 0 C--N 1.321 -0.66 0 C-N-CA 120.428 -0.509 . . . . 0.35 109.769 -179.809 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 534' ' ' GLU . . . . . 0.553 ' N ' HD11 ' A' ' 552' ' ' LEU . 38.5 mt-10 -67.86 -35.89 79.35 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.913 -0.585 . . . . 1.64 109.972 179.942 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 535' ' ' ASN . . . . . . . . . . . . . 58.7 t30 -59.92 -49.86 76.03 Favored 'General case' 0 C--O 1.217 -0.642 0 CA-C-N 114.915 -1.039 . . . . 1.82 110.937 -176.988 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 536' ' ' ASP . . . . . 0.502 ' HA ' ' ND2' ' A' ' 539' ' ' ASN . 3.3 m-20 -71.99 -40.73 68.35 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-O 121.152 0.501 . . . . 0.61 112.046 -172.64 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 537' ' ' VAL . . . . . 0.574 HG23 ' O ' ' A' ' 533' ' ' THR . 46.9 t -59.37 -48.09 88.31 Favored 'Isoleucine or valine' 0 C--O 1.244 0.807 0 CA-C-O 122.097 0.951 . . . . 0.15 109.651 178.757 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 538' ' ' ILE . . . . . 0.733 HD11 ' CG ' ' A' ' 550' ' ' TYR . 39.0 mt -67.93 -32.43 56.31 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.821 0 CA-C-N 115.157 -0.928 . . . . 0.23 111.203 174.986 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 539' ' ' ASN . . . . . 0.502 ' ND2' ' HA ' ' A' ' 536' ' ' ASP . 96.8 m-20 -56.92 -28.48 62.08 Favored 'General case' 0 CA--C 1.514 -0.42 0 N-CA-C 110.13 -0.322 . . . . 0.25 110.13 176.815 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 540' ' ' LEU . . . . . 0.487 HD11 HD12 ' A' ' 588' ' ' LEU . 94.8 mt -76.11 -41.96 48.62 Favored 'General case' 0 N--CA 1.445 -0.691 0 C-N-CA 120.647 -0.421 . . . . 0.27 110.06 174.696 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 541' ' ' GLY . . . . . 0.653 ' HA3' HD21 ' A' ' 561' ' ' LEU . . . -66.51 -52.58 33.91 Favored Glycine 0 CA--C 1.525 0.665 0 N-CA-C 115.906 1.122 . . . . 0.19 115.906 -178.346 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 542' ' ' LEU . . . . . 0.568 ' HB2' ' CD1' ' A' ' 615' ' ' ILE . 45.2 mt -56.83 -43.64 99.45 Favored Pre-proline 0 C--N 1.32 -0.68 0 N-CA-C 114.945 1.461 . . . . 0.2 114.945 -168.329 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 543' ' ' PRO . . . . . 0.45 ' HG3' HG21 ' A' ' 615' ' ' ILE . 52.0 Cg_exo -59.38 -26.34 81.59 Favored 'Trans proline' 0 C--N 1.35 0.629 0 C-N-CA 121.993 1.796 . . . . 0.23 113.487 -177.891 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 544' ' ' PHE . . . . . . . . . . . . . 94.7 m-85 -99.4 -13.98 19.34 Favored 'General case' 0 C--N 1.33 -0.25 0 O-C-N 122.145 -0.347 . . . . 0.33 111.386 178.24 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 545' ' ' GLY . . . . . 0.545 ' O ' ' HA ' ' A' ' 542' ' ' LEU . . . 176.24 155.84 14.01 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.41 -0.9 . . . . 0.44 112.799 -178.687 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 546' ' ' LYS . . . . . . . . . . . . . 86.9 tttt -65.73 127.34 31.56 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.142 0.496 . . . . 2.07 111.604 -179.681 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 547' ' ' VAL . . . . . 0.586 HG21 HG23 ' A' ' 538' ' ' ILE . 79.4 t -90.38 115.99 30.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 115.5 -0.773 . . . . 0.2 110.811 176.407 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 548' ' ' THR . . . . . . . . . . . . . 21.5 p -92.57 -35.08 13.76 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 112.191 0.441 . . . . 0.31 112.191 178.498 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 549' ' ' ASN . . . . . 0.457 ' OD1' HD11 ' A' ' 601' ' ' LEU . 90.4 m-20 -142.71 162.46 35.4 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.042 0.448 . . . . 1.26 110.991 179.332 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 550' ' ' TYR . . . . . 0.733 ' CG ' HD11 ' A' ' 538' ' ' ILE . 1.7 p90 -160.38 151.06 18.58 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.61 -0.723 . . . . 0.31 109.858 -179.976 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 551' ' ' ILE . . . . . 0.587 HG23 ' N3 ' ' B' ' 5' ' ' ' U' . 60.4 mt -144.2 127.23 11.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 N-CA-C 108.201 -1.036 . . . . 0.22 108.201 -178.234 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 552' ' ' LEU . . . . . 0.553 HD11 ' N ' ' A' ' 534' ' ' GLU . 27.9 mt -106.25 124.43 49.57 Favored 'General case' 0 C--N 1.31 -1.145 0 C-N-CA 119.932 -0.707 . . . . 0.43 110.312 179.279 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 553' ' ' MET . . . . . . . . . . . . . 30.1 mtp -104.63 80.37 1.66 Allowed 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 108.435 -0.95 . . . . 1.03 108.435 -179.88 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 554' ' ' LYS . . . . . . . . . . . . . 26.1 mmtp -53.92 -28.67 38.29 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 114.768 -1.106 . . . . 1.03 112.589 175.557 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 555' ' ' SER . . . . . . . . . . . . . 65.7 p -68.88 -44.85 72.41 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 111.755 0.279 . . . . 0.51 111.755 -174.099 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 556' ' ' THR . . . . . . . . . . . . . 44.4 p -104.78 8.67 34.99 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 112.809 0.67 . . . . 0.45 112.809 -174.166 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 557' ' ' ASN . . . . . . . . . . . . . 18.5 m120 59.94 40.61 18.77 Favored 'General case' 0 N--CA 1.469 0.518 0 CA-C-O 121.597 0.713 . . . . 1.28 110.25 -176.355 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 558' ' ' GLN . . . . . 0.41 ' HB3' ' NE2' ' A' ' 523' ' ' HIS . 77.1 mt-30 -135.45 167.82 20.37 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.091 -0.959 . . . . 0.84 109.412 -175.644 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 559' ' ' ALA . . . . . . . . . . . . . . . -159.14 165.66 33.25 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.115 0.483 . . . . 0.16 111.776 176.462 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 560' ' ' PHE . . . . . 0.54 ' HB2' ' HB ' ' A' ' 551' ' ' ILE . 91.7 m-85 -119.89 148.51 43.4 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.589 -0.732 . . . . 0.35 110.875 176.53 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 561' ' ' LEU . . . . . 0.653 HD21 ' HA3' ' A' ' 541' ' ' GLY . 50.6 tp -137.8 119.58 15.2 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.348 -0.842 . . . . 0.2 110.0 179.809 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 562' ' ' GLU . . . . . 0.588 ' HB2' HD12 ' A' ' 599' ' ' LEU . 30.4 tt0 -99.13 128.08 45.2 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.343 0.592 . . . . 2.09 110.421 179.598 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 563' ' ' MET . . . . . 0.7 ' SD ' ' HA ' ' A' ' 569' ' ' ALA . 36.6 mtt -112.93 152.25 29.56 Favored 'General case' 0 C--N 1.316 -0.864 0 CA-C-N 115.216 -0.902 . . . . 0.39 109.234 -176.684 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 564' ' ' ALA . . . . . . . . . . . . . . . -73.76 -16.64 61.16 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.044 -0.525 . . . . 0.5 111.971 -170.423 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 565' ' ' TYR . . . . . 0.439 ' CB ' ' HG2' ' A' ' 567' ' ' GLU . 72.7 m-85 -143.41 148.05 35.56 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 109.883 -0.414 . . . . 1.15 109.883 -178.797 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 566' ' ' THR . . . . . . . . . . . . . 14.5 t -67.58 -27.38 66.88 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.175 -0.466 . . . . 0.57 110.197 179.147 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 567' ' ' GLU . . . . . 0.439 ' HG2' ' CB ' ' A' ' 565' ' ' TYR . 11.4 pt-20 -58.83 -32.7 69.63 Favored 'General case' 0 CA--C 1.526 0.052 0 CA-C-N 115.737 -0.665 . . . . 0.89 110.704 175.855 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 568' ' ' ALA . . . . . 0.689 ' O ' ' HG3' ' A' ' 572' ' ' MET . . . -74.01 -42.97 59.55 Favored 'General case' 0 N--CA 1.448 -0.528 0 CA-C-N 115.839 -0.619 . . . . 0.26 109.84 -177.866 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 569' ' ' ALA . . . . . 0.7 ' HA ' ' SD ' ' A' ' 563' ' ' MET . . . -62.74 -46.04 89.91 Favored 'General case' 0 N--CA 1.45 -0.459 0 CA-C-N 115.546 -0.752 . . . . 0.24 111.449 -176.135 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 570' ' ' GLN . . . . . 0.477 ' O ' ' HG2' ' A' ' 574' ' ' GLN . 13.5 pt20 -69.12 -36.67 77.75 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.387 -0.37 . . . . 1.24 110.644 -178.012 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 571' ' ' ALA . . . . . . . . . . . . . . . -64.01 -44.16 93.45 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.197 -0.456 . . . . 0.31 111.266 -178.665 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 572' ' ' MET . . . . . 0.689 ' HG3' ' O ' ' A' ' 568' ' ' ALA . 24.7 mtt -68.5 -40.92 80.69 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.356 -0.384 . . . . 0.47 110.291 -179.375 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 573' ' ' VAL . . . . . 0.621 ' O ' ' HG2' ' A' ' 577' ' ' GLN . 85.9 t -59.65 -48.3 87.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 N-CA-C 110.104 -0.332 . . . . 0.34 110.104 178.066 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 574' ' ' GLN . . . . . 0.477 ' HG2' ' O ' ' A' ' 570' ' ' GLN . 12.9 mm-40 -61.63 -37.32 83.55 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.846 0.355 . . . . 2.09 111.056 -179.257 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 575' ' ' TYR . . . . . . . . . . . . . 82.2 t80 -67.98 -51.7 44.28 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.005 -0.543 . . . . 0.48 110.167 -178.617 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 576' ' ' TYR . . . . . 0.553 ' CE2' HD12 ' A' ' 590' ' ' ILE . 58.6 m-85 -76.38 -13.88 60.11 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 112.603 0.594 . . . . 0.36 112.603 -176.636 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 577' ' ' GLN . . . . . 0.621 ' HG2' ' O ' ' A' ' 573' ' ' VAL . 17.4 mm-40 -64.33 -44.03 92.79 Favored 'General case' 0 C--N 1.332 -0.18 0 N-CA-C 109.268 -0.641 . . . . 1.89 109.268 171.024 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 578' ' ' GLU . . . . . . . . . . . . . 14.3 mm-40 -89.37 -38.69 13.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.453 -0.794 . . . . 2.14 111.614 -179.941 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 579' ' ' LYS . . . . . 0.528 ' O ' ' HA ' ' A' ' 576' ' ' TYR . 63.3 mttp -131.02 90.55 39.01 Favored Pre-proline 0 C--N 1.325 -0.498 0 N-CA-C 110.164 -0.31 . . . . 2.46 110.164 178.835 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 580' ' ' PRO . . . . . . . . . . . . . 38.9 Cg_endo -66.63 160.97 43.63 Favored 'Trans proline' 0 C--O 1.234 0.292 0 C-N-CA 122.735 2.29 . . . . 0.37 112.419 -178.634 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 581' ' ' ALA . . . . . 0.531 ' HB2' ' CE1' ' A' ' 576' ' ' TYR . . . -91.01 137.13 32.6 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.183 -0.462 . . . . 0.27 109.919 179.431 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 582' ' ' ILE . . . . . . . . . . . . . 34.9 mt -106.28 119.65 56.03 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 CA-C-O 120.909 0.385 . . . . 0.51 111.906 -173.714 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 583' ' ' ILE . . . . . 0.43 ' CG1' HD11 ' A' ' 588' ' ' LEU . 29.1 mm -124.69 112.37 31.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 115.717 -0.674 . . . . 0.51 109.547 172.112 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 584' ' ' ASN . . . . . . . . . . . . . 95.0 m-20 54.64 41.06 32.19 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 121.645 0.736 . . . . 1.1 110.545 -179.922 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 585' ' ' GLY . . . . . . . . . . . . . . . 81.85 2.02 90.42 Favored Glycine 0 N--CA 1.446 -0.66 0 CA-C-N 114.854 -1.066 . . . . 0.44 113.92 176.174 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 586' ' ' GLU . . . . . . . . . . . . . 51.3 mm-40 -99.74 126.27 45.77 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 117.481 0.641 . . . . 1.79 110.856 -179.665 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 587' ' ' LYS . . . . . . . . . . . . . 72.5 mmtt -75.26 110.24 9.44 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.321 -0.854 . . . . 1.67 110.223 175.544 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 588' ' ' LEU . . . . . 0.487 HD12 HD11 ' A' ' 540' ' ' LEU . 63.0 mt -81.5 137.03 35.63 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 121.028 0.442 . . . . 0.24 110.587 -179.013 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 589' ' ' LEU . . . . . . . . . . . . . 43.8 tp -112.7 112.08 23.34 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.709 -0.678 . . . . 0.38 110.709 -177.93 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 590' ' ' ILE . . . . . 0.553 HD12 ' CE2' ' A' ' 576' ' ' TYR . 15.8 mt -101.84 121.04 52.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 N-CA-C 110.094 -0.336 . . . . 0.26 110.094 176.769 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 591' ' ' ARG . . . . . 0.426 ' HA ' HG22 ' A' ' 573' ' ' VAL . 99.3 mtt180 -147.57 165.16 31.19 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.82 0.343 . . . . 2.62 110.667 -177.818 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 592' ' ' MET . . . . . . . . . . . . . 60.8 mtt -82.29 139.01 34.42 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.135 -0.484 . . . . 0.34 109.789 -179.956 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 593' ' ' SER . . . . . 0.604 ' HB3' ' O2 ' ' B' ' 3' ' ' ' C' . 38.3 m -85.02 139.78 31.51 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.32 0.581 . . . . 1.37 111.912 -176.54 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 594' ' ' THR . . . . . 0.452 ' HA ' ' OE1' ' A' ' 514' ' ' GLN . 18.4 p -91.66 -15.47 28.46 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 114.658 -1.155 . . . . 0.38 112.603 -175.54 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 595' ' ' ARG . . . . . . . . . . . . . 68.9 mtp180 -103.57 -28.03 11.98 Favored 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 120.551 -0.46 . . . . 2.75 112.138 -172.117 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 596' ' ' TYR . . . . . . . . . . . . . 50.8 m-85 -118.25 150.23 39.8 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.164 0.507 . . . . 0.65 111.576 -178.951 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 597' ' ' LYS . . . . . 0.441 ' C ' HG23 ' A' ' 521' ' ' VAL . 7.6 mtmm -107.64 -26.18 10.98 Favored 'General case' 0 C--O 1.219 -0.502 0 CA-C-N 115.369 -0.832 . . . . 2.18 111.305 -178.314 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 598' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -142.65 150.77 40.66 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.87 0.367 . . . . 0.95 110.695 -179.926 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 599' ' ' LEU . . . . . 0.833 HD21 HG13 ' A' ' 521' ' ' VAL . 63.4 mt -95.33 124.19 39.24 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.698 -0.683 . . . . 0.45 111.628 179.816 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 600' ' ' GLN . . . . . . . . . . . . . 20.6 tt0 -103.06 124.19 48.06 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 114.906 -1.043 . . . . 1.52 110.651 -179.827 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 601' ' ' LEU . . . . . 0.457 HD11 ' OD1' ' A' ' 549' ' ' ASN . 86.7 mt -82.49 94.88 7.55 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.587 -0.279 . . . . 0.46 111.028 178.428 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 602' ' ' LYS . . . . . 0.44 ' HE2' HO2' ' B' ' 4' ' ' ' U' . 50.0 mtmt -79.36 -18.91 51.48 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 109.124 -0.695 . . . . 1.73 109.124 169.818 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 603' ' ' LYS . . . . . . . . . . . . . 34.9 mmtp -119.66 130.05 25.05 Favored Pre-proline 0 C--N 1.325 -0.487 0 CA-C-N 115.02 -0.991 . . . . 1.69 108.608 174.254 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 604' ' ' PRO . . . . . . . . . . . . . 33.2 Cg_endo -64.71 169.89 10.8 Favored 'Trans proline' 0 C--O 1.235 0.357 0 C-N-CA 122.631 2.221 . . . . 1.21 112.649 -178.825 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 605' ' ' GLY . . . . . . . . . . . . . . . -138.75 160.64 25.71 Favored Glycine 0 N--CA 1.44 -1.066 0 N-CA-C 110.637 -0.985 . . . . 1.23 110.637 -178.039 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 606' ' ' LYS . . . . . . . . . . . . . 62.7 pttt -94.78 178.66 5.51 Favored 'General case' 0 C--N 1.315 -0.927 0 N-CA-C 109.82 -0.437 . . . . 3.47 109.82 -179.241 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 607' ' ' ASN . . . . . . . . . . . . . 42.1 t30 -58.24 120.66 9.08 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.025 0.441 . . . . 1.33 110.327 174.689 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 608' ' ' VAL . . . . . 0.554 HG11 ' HB ' ' A' ' 547' ' ' VAL . 57.7 t -85.0 -19.91 8.56 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.587 0 CA-C-N 115.846 -0.615 . . . . 0.3 110.551 -176.69 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 609' ' ' ALA . . . . . . . . . . . . . . . -61.69 -31.66 71.81 Favored 'General case' 0 C--O 1.24 0.556 0 CA-C-O 121.455 0.645 . . . . 0.44 110.999 175.523 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 610' ' ' ALA . . . . . . . . . . . . . . . -63.63 -30.01 71.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.685 -0.688 . . . . 0.4 109.816 176.603 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 611' ' ' ILE . . . . . 0.449 ' CD1' HD12 ' A' ' 538' ' ' ILE . 77.5 mt -70.67 -30.69 43.34 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.349 0 CA-C-N 115.325 -0.852 . . . . 0.25 109.851 178.8 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 612' ' ' ILE . . . . . 0.477 ' CG1' HD13 ' A' ' 542' ' ' LEU . 76.0 mt -59.76 -42.71 89.7 Favored 'Isoleucine or valine' 0 C--O 1.235 0.323 0 N-CA-C 109.715 -0.476 . . . . 0.31 109.715 173.558 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 613' ' ' GLN . . . . . 0.475 ' HA ' ' OE1' ' A' ' 613' ' ' GLN . 15.1 mm-40 -65.4 -31.01 71.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.703 -0.681 . . . . 2.31 110.824 176.433 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 614' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -67.71 -43.96 78.82 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.185 -0.461 . . . . 1.95 110.759 177.441 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 615' ' ' ILE . . . . . 0.568 ' CD1' ' HB2' ' A' ' 542' ' ' LEU . 87.1 mt -60.36 -48.92 86.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-O 121.082 0.467 . . . . 0.35 110.683 179.474 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 616' ' ' HIS . . . . . . . . . . . . . 10.6 m-70 -66.24 -26.74 67.5 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.827 -0.624 . . . . 1.26 111.324 179.903 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 617' ' ' SER . . . . . . . . . . . . . 36.7 t -74.2 -36.4 63.98 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.942 0.401 . . . . 1.18 110.447 176.468 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 618' ' ' GLN . . . . . . . . . . . . . 33.2 mm-40 -82.12 -8.02 59.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.297 -0.41 . . . . 4.68 111.066 179.333 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 619' ' ' ARG . . . . . . . . . . . . . 59.2 mtp180 -120.6 -173.63 2.63 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.015 -0.539 . . . . 7.77 110.478 -179.601 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 620' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -133.72 170.49 15.48 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.877 -0.601 . . . . 7.92 109.854 176.788 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 621' ' ' ARG . . . . . . . . . . . . . 73.0 ttt180 . . . . . 0 C--O 1.247 0.966 0 CA-C-O 118.846 -0.597 . . . . 11.0 109.641 177.294 . . . . . . . . 0 0 . 1 . 023 nuclear build full ' B' B ' 1' ' ' ADN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 023 nuclear build full ' B' B ' 2' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.878 0 C4'-C3'-C2' 104.263 1.563 . 0.0 '__' . 2.99 . . . . . . . . . . 0 0 . 1 . 023 nuclear build full ' B' B ' 3' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.944 0 C3'-C2'-C1' 99.821 -1.865 . 0.0 OUTLIER gamma 1.58 . . . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 4' ' ' ' U' . . . . . 0.476 " H1'" ' C5 ' ' B' ' 5' ' ' ' U' . . . . . . . . 0 O5'--C5' 1.425 -0.913 0 C3'-C2'-C1' 99.804 -1.884 . 0.0 OUTLIER . 1.15 . . . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 5' ' ' ' U' . . . . . 0.614 ' C2 ' HG23 ' A' ' 551' ' ' ILE . . . . . . . . 0 O5'--C5' 1.425 -0.964 0 C3'-C2'-C1' 99.658 -2.047 . 0.538 4b . 1.33 . . . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 6' ' ' ' A' . . . . . 0.462 ' H2 ' " O5'" ' B' ' 5' ' ' ' U' . . . . . . . . 0 O5'--C5' 1.427 -0.831 0 C3'-C2'-C1' 100.773 -0.808 . 0.0 OUTLIER . 4.23 . . . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 510' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.723 0 N-CA-C 111.861 -0.496 . . . . 8.88 111.861 . . . . . . . . . 0 0 . 1 . 023 nuclear build full ' A' A ' 511' ' ' ALA . . . . . . . . . . . . . . . 60.6 79.05 0.26 Allowed 'General case' 0 C--O 1.232 0.159 0 CA-C-O 121.065 0.46 . . . . 6.64 111.168 -179.829 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 512' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -74.43 -27.71 60.73 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.148 -0.478 . . . . 6.33 110.167 -179.023 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 513' ' ' ALA . . . . . . . . . . . . . . . -117.54 149.71 40.18 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.959 -0.564 . . . . 4.2 109.929 177.381 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 514' ' ' GLN . . . . . 0.42 HE22 ' HA ' ' A' ' 594' ' ' THR . 28.1 mm-40 69.16 112.3 0.05 OUTLIER 'General case' 0 C--N 1.331 -0.205 0 O-C-N 123.919 0.762 . . . . 2.88 111.913 -179.027 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 515' ' ' ARG . . . . . 0.422 ' HB2' ' HG3' ' A' ' 597' ' ' LYS . 20.7 mmm180 -77.68 98.17 5.37 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.506 -0.77 . . . . 4.0 109.597 176.66 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 516' ' ' LYS . . . . . . . . . . . . . 46.4 mmtm -134.23 47.74 2.39 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.159 0.504 . . . . 1.89 110.659 -179.103 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 517' ' ' GLY . . . . . . . . . . . . . . . -91.85 -106.81 1.55 Allowed Glycine 0 N--CA 1.45 -0.43 0 C-N-CA 120.978 -0.63 . . . . 2.04 111.74 176.632 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 518' ' ' ALA . . . . . . . . . . . . . . . -78.91 -24.17 44.28 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.723 0.773 . . . . 1.75 109.928 176.426 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 519' ' ' GLY . . . . . . . . . . . . . . . -107.09 116.94 5.15 Favored Glycine 0 N--CA 1.445 -0.724 0 CA-C-N 114.479 -1.237 . . . . 0.67 110.51 174.775 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 520' ' ' ARG . . . . . . . . . . . . . 37.8 mtm-85 -134.02 133.79 41.66 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 117.445 0.623 . . . . 2.22 111.068 -178.862 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 521' ' ' VAL . . . . . 0.725 HG13 HD21 ' A' ' 599' ' ' LEU . 89.3 t -117.58 123.31 71.57 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-N 115.632 -0.713 . . . . 0.32 110.876 170.983 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 522' ' ' VAL . . . . . 0.548 ' HB ' ' O ' ' A' ' 561' ' ' LEU . 22.4 t -120.07 122.49 68.57 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.747 0 N-CA-C 107.81 -1.182 . . . . 0.22 107.81 175.228 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 523' ' ' HIS . . . . . . . . . . . . . 43.2 t-80 -105.45 133.33 50.38 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.21 0.528 . . . . 0.44 111.119 -171.791 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 524' ' ' ILE . . . . . 0.489 HG23 HG12 ' A' ' 590' ' ' ILE . 29.9 mt -113.62 141.91 27.97 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.762 0 CA-C-N 115.376 -0.829 . . . . 0.19 108.812 177.735 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 525' ' ' CYS . . . . . 0.546 ' SG ' ' HB3' ' A' ' 589' ' ' LEU . 1.8 p -141.66 164.03 31.31 Favored 'General case' 0 C--N 1.316 -0.874 0 C-N-CA 120.618 -0.433 . . . . 1.17 111.652 -178.47 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 526' ' ' ASN . . . . . 0.445 ' HB2' ' O ' ' A' ' 525' ' ' CYS . 86.7 m-20 88.39 28.95 0.03 OUTLIER 'General case' 0 N--CA 1.471 0.594 0 O-C-N 125.045 1.466 . . . . 0.26 110.552 177.253 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 527' ' ' LEU . . . . . . . . . . . . . 78.7 mt -90.46 124.64 62.2 Favored Pre-proline 0 C--N 1.322 -0.6 0 N-CA-C 108.771 -0.826 . . . . 0.25 108.771 176.553 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 528' ' ' PRO . . . . . . . . . . . . . 5.6 Cg_exo -71.28 133.54 23.01 Favored 'Trans proline' 0 N--CA 1.455 -0.762 0 C-N-CA 121.298 1.332 . . . . 0.38 111.174 -177.267 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 529' ' ' GLU . . . . . . . . . . . . . 45.4 tt0 -66.31 129.74 40.85 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 109.814 -0.439 . . . . 1.6 109.814 177.39 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 530' ' ' GLY . . . . . . . . . . . . . . . 92.01 2.58 68.83 Favored Glycine 0 N--CA 1.447 -0.572 0 N-CA-C 110.397 -1.081 . . . . 0.48 110.397 -171.765 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 531' ' ' SER . . . . . . . . . . . . . 16.1 m -143.36 8.46 1.59 Allowed 'General case' 0 N--CA 1.45 -0.439 0 CA-C-N 115.16 -0.52 . . . . 1.08 109.914 -177.905 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 532' ' ' CYS . . . . . . . . . . . . . 60.8 m -89.79 91.18 8.52 Favored 'General case' 0 CA--C 1.516 -0.345 0 N-CA-C 108.963 -0.754 . . . . 0.25 108.963 179.786 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 533' ' ' THR . . . . . 0.482 ' O ' HG23 ' A' ' 537' ' ' VAL . 68.4 p -101.01 148.73 24.7 Favored 'General case' 0 C--N 1.318 -0.777 0 C-N-CA 120.369 -0.532 . . . . 0.35 110.063 -178.018 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 534' ' ' GLU . . . . . 0.449 ' HA ' HD11 ' A' ' 552' ' ' LEU . 44.9 mt-10 -68.65 -36.04 78.05 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.845 -0.616 . . . . 1.64 110.386 -178.008 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 535' ' ' ASN . . . . . 0.443 ' OD1' HG23 ' A' ' 611' ' ' ILE . 60.7 t30 -64.99 -49.24 71.04 Favored 'General case' 0 C--O 1.216 -0.706 0 CA-C-N 114.987 -1.006 . . . . 1.82 111.206 -174.877 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 536' ' ' ASP . . . . . 0.401 ' HA ' ' OD1' ' A' ' 539' ' ' ASN . 2.9 m-20 -71.23 -39.81 71.46 Favored 'General case' 0 N--CA 1.47 0.556 0 CA-C-O 121.198 0.523 . . . . 0.61 111.59 -170.414 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 537' ' ' VAL . . . . . 0.482 HG23 ' O ' ' A' ' 533' ' ' THR . 49.2 t -59.12 -48.09 87.94 Favored 'Isoleucine or valine' 0 C--O 1.241 0.634 0 CA-C-N 115.294 -0.866 . . . . 0.15 109.531 178.064 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 538' ' ' ILE . . . . . 0.687 HD11 ' CG ' ' A' ' 550' ' ' TYR . 23.7 mt -68.76 -32.86 56.62 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 CA-C-N 115.378 -0.828 . . . . 0.23 111.804 175.241 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 539' ' ' ASN . . . . . 0.47 ' HA ' HD11 ' A' ' 615' ' ' ILE . 13.1 m120 -57.63 -27.83 63.14 Favored 'General case' 0 N--CA 1.466 0.369 0 N-CA-C 110.314 -0.254 . . . . 0.25 110.314 177.794 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 540' ' ' LEU . . . . . 0.431 HD11 HD12 ' A' ' 588' ' ' LEU . 94.5 mt -76.65 -42.39 42.15 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 120.926 0.393 . . . . 0.27 110.012 173.679 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 541' ' ' GLY . . . . . 0.51 ' HA2' ' SD ' ' A' ' 572' ' ' MET . . . -64.94 -52.64 40.02 Favored Glycine 0 CA--C 1.522 0.502 0 N-CA-C 115.475 0.95 . . . . 0.19 115.475 -178.678 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 542' ' ' LEU . . . . . 0.49 ' HB2' ' CD1' ' A' ' 615' ' ' ILE . 35.7 mt -56.37 -44.65 99.82 Favored Pre-proline 0 CA--C 1.54 0.576 0 N-CA-C 114.796 1.406 . . . . 0.2 114.796 -169.392 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 543' ' ' PRO . . . . . . . . . . . . . 35.6 Cg_exo -61.38 -27.03 82.24 Favored 'Trans proline' 0 C--N 1.348 0.542 0 C-N-CA 122.041 1.827 . . . . 0.23 113.689 -177.641 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 544' ' ' PHE . . . . . 0.46 ' HB2' ' HE2' ' A' ' 572' ' ' MET . 97.0 m-85 -98.4 -8.94 26.0 Favored 'General case' 0 C--N 1.33 -0.254 0 O-C-N 122.21 -0.306 . . . . 0.33 111.193 178.769 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 545' ' ' GLY . . . . . 0.471 ' O ' ' HA ' ' A' ' 542' ' ' LEU . . . 168.79 152.12 7.55 Favored Glycine 0 N--CA 1.448 -0.527 0 C-N-CA 120.819 -0.705 . . . . 0.44 111.945 -178.064 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 546' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -66.35 130.87 44.67 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-O 121.156 0.503 . . . . 2.07 111.618 -177.778 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 547' ' ' VAL . . . . . 0.623 HG21 HG23 ' A' ' 538' ' ' ILE . 80.2 t -90.42 116.74 32.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 115.562 -0.745 . . . . 0.2 110.684 177.674 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 548' ' ' THR . . . . . . . . . . . . . 21.2 p -94.94 -35.29 12.06 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.098 -0.501 . . . . 0.31 111.923 177.392 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 549' ' ' ASN . . . . . 0.46 ' HB2' ' HB3' ' A' ' 562' ' ' GLU . 34.8 m-80 -144.4 157.95 43.99 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.852 0.358 . . . . 1.26 110.965 -179.782 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 550' ' ' TYR . . . . . 0.687 ' CG ' HD11 ' A' ' 538' ' ' ILE . 3.3 p90 -162.04 152.7 17.46 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.864 -0.607 . . . . 0.31 109.707 -178.092 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 551' ' ' ILE . . . . . 0.614 HG23 ' C2 ' ' B' ' 5' ' ' ' U' . 64.8 mt -143.64 129.73 16.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 N-CA-C 108.621 -0.881 . . . . 0.22 108.621 -178.299 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 552' ' ' LEU . . . . . 0.449 HD11 ' HA ' ' A' ' 534' ' ' GLU . 22.9 mt -107.13 118.75 37.53 Favored 'General case' 0 C--N 1.315 -0.896 0 C-N-CA 120.475 -0.49 . . . . 0.43 110.317 179.904 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 553' ' ' MET . . . . . 0.548 ' HA ' " H4'" ' B' ' 5' ' ' ' U' . 63.8 mtm -108.87 82.29 1.58 Allowed 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 122.029 0.919 . . . . 1.03 109.193 -179.01 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 554' ' ' LYS . . . . . . . . . . . . . 12.0 mmtp -52.96 -27.84 20.86 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 113.828 -1.533 . . . . 1.03 112.622 176.375 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 555' ' ' SER . . . . . . . . . . . . . 63.9 p -69.21 -46.0 68.48 Favored 'General case' 0 N--CA 1.448 -0.554 0 CA-C-O 120.84 0.352 . . . . 0.51 111.259 -173.888 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 556' ' ' THR . . . . . . . . . . . . . 44.8 p -99.68 8.32 44.44 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 112.425 0.528 . . . . 0.45 112.425 -175.647 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 557' ' ' ASN . . . . . . . . . . . . . 4.7 m-20 59.8 39.91 20.12 Favored 'General case' 0 N--CA 1.468 0.44 0 CA-C-O 121.863 0.839 . . . . 1.28 110.11 -178.085 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 558' ' ' GLN . . . . . . . . . . . . . 99.1 mt-30 -142.02 168.05 20.67 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.024 -0.989 . . . . 0.84 110.363 -174.274 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 559' ' ' ALA . . . . . . . . . . . . . . . -157.65 165.99 34.02 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.151 0.5 . . . . 0.16 111.412 -179.376 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 560' ' ' PHE . . . . . 0.51 ' HB2' ' HB ' ' A' ' 551' ' ' ILE . 79.5 m-85 -119.56 149.47 41.87 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.825 -0.625 . . . . 0.35 110.663 177.955 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 561' ' ' LEU . . . . . 0.548 ' O ' ' HB ' ' A' ' 522' ' ' VAL . 54.1 tp -141.08 119.1 11.9 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.782 -0.645 . . . . 0.2 110.261 -179.759 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 562' ' ' GLU . . . . . 0.538 ' HB2' HD12 ' A' ' 599' ' ' LEU . 32.0 tt0 -100.38 123.33 44.46 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.474 0.654 . . . . 2.09 110.158 176.667 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 563' ' ' MET . . . . . 0.786 ' SD ' ' HA ' ' A' ' 569' ' ' ALA . 22.5 mtt -107.21 148.57 28.75 Favored 'General case' 0 C--N 1.315 -0.921 0 CA-C-N 114.84 -1.073 . . . . 0.39 108.775 -178.659 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 564' ' ' ALA . . . . . . . . . . . . . . . -59.99 -26.13 65.8 Favored 'General case' 0 N--CA 1.463 0.195 0 N-CA-C 112.966 0.728 . . . . 0.5 112.966 -168.307 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 565' ' ' TYR . . . . . . . . . . . . . 84.8 m-85 -143.19 160.92 39.55 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 110.401 -0.222 . . . . 1.15 110.401 179.19 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 566' ' ' THR . . . . . . . . . . . . . 7.4 t -68.11 -27.07 66.15 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.43 -0.35 . . . . 0.57 110.251 -179.465 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 567' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -59.38 -33.07 70.74 Favored 'General case' 0 C--N 1.334 -0.106 0 CA-C-N 115.846 -0.616 . . . . 0.89 110.825 178.07 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 568' ' ' ALA . . . . . 0.673 ' O ' ' HG3' ' A' ' 572' ' ' MET . . . -73.76 -41.7 62.1 Favored 'General case' 0 N--CA 1.449 -0.478 0 CA-C-N 115.893 -0.594 . . . . 0.26 109.788 179.963 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 569' ' ' ALA . . . . . 0.786 ' HA ' ' SD ' ' A' ' 563' ' ' MET . . . -63.53 -45.78 89.01 Favored 'General case' 0 CA--C 1.518 -0.286 0 CA-C-N 115.619 -0.719 . . . . 0.24 111.493 -176.299 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 570' ' ' GLN . . . . . . . . . . . . . 18.6 pt20 -68.34 -36.85 79.87 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.141 -0.481 . . . . 1.24 110.695 -178.276 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 571' ' ' ALA . . . . . . . . . . . . . . . -64.05 -43.2 96.26 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.24 -0.436 . . . . 0.31 111.15 -178.949 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 572' ' ' MET . . . . . 0.673 ' HG3' ' O ' ' A' ' 568' ' ' ALA . 23.5 mtt -70.39 -43.32 70.32 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.479 -0.328 . . . . 0.47 111.097 -179.493 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 573' ' ' VAL . . . . . 0.534 HG23 ' O ' ' A' ' 569' ' ' ALA . 77.8 t -60.05 -47.76 90.59 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.169 0 CA-C-O 120.846 0.355 . . . . 0.34 110.53 -179.341 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 574' ' ' GLN . . . . . . . . . . . . . 78.3 mm-40 -64.59 -35.55 81.37 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.267 -0.424 . . . . 2.09 110.715 179.31 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 575' ' ' TYR . . . . . . . . . . . . . 70.8 t80 -67.82 -52.02 41.83 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.192 -0.458 . . . . 0.48 110.794 -179.011 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 576' ' ' TYR . . . . . 0.607 ' CE1' ' HB2' ' A' ' 581' ' ' ALA . 57.7 m-85 -76.83 -14.22 59.92 Favored 'General case' 0 N--CA 1.466 0.342 0 N-CA-C 113.41 0.893 . . . . 0.36 113.41 -175.833 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 577' ' ' GLN . . . . . 0.444 ' HG3' ' O ' ' A' ' 573' ' ' VAL . 86.6 mt-30 -72.73 -38.12 67.54 Favored 'General case' 0 C--N 1.319 -0.726 0 C-N-CA 119.793 -0.763 . . . . 1.89 109.744 172.341 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 578' ' ' GLU . . . . . . . . . . . . . 11.3 mm-40 -86.71 -38.18 17.22 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.944 -0.571 . . . . 2.14 110.943 177.424 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 579' ' ' LYS . . . . . 0.525 ' O ' ' HA ' ' A' ' 576' ' ' TYR . 96.1 mttt -132.83 89.73 34.07 Favored Pre-proline 0 C--N 1.327 -0.377 0 N-CA-C 109.99 -0.374 . . . . 2.46 109.99 177.693 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 580' ' ' PRO . . . . . . . . . . . . . 37.6 Cg_endo -66.0 159.28 49.99 Favored 'Trans proline' 0 C--O 1.234 0.315 0 C-N-CA 122.507 2.138 . . . . 0.37 112.681 -176.601 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 581' ' ' ALA . . . . . 0.607 ' HB2' ' CE1' ' A' ' 576' ' ' TYR . . . -91.82 136.04 33.45 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.017 -0.538 . . . . 0.27 110.124 179.398 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 582' ' ' ILE . . . . . . . . . . . . . 54.2 mt -99.36 120.75 49.14 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.681 0 CA-C-O 120.835 0.35 . . . . 0.51 111.841 -175.258 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 583' ' ' ILE . . . . . 0.459 HG13 HD11 ' A' ' 588' ' ' LEU . 28.6 mm -125.15 111.26 27.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-N 116.02 -0.536 . . . . 0.51 109.931 171.429 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 584' ' ' ASN . . . . . . . . . . . . . 3.5 m-20 56.83 36.05 27.16 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.448 0.642 . . . . 1.1 110.889 176.076 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 585' ' ' GLY . . . . . . . . . . . . . . . 86.09 0.03 87.29 Favored Glycine 0 N--CA 1.448 -0.529 0 CA-C-N 115.231 -0.895 . . . . 0.44 113.589 179.989 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 586' ' ' GLU . . . . . . . . . . . . . 51.0 mm-40 -100.94 126.16 47.57 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 117.256 0.528 . . . . 1.79 110.984 179.926 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 587' ' ' LYS . . . . . . . . . . . . . 46.9 mmtm -77.32 111.21 12.74 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.578 -0.737 . . . . 1.67 110.719 175.115 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 588' ' ' LEU . . . . . 0.459 HD11 HG13 ' A' ' 583' ' ' ILE . 31.1 mt -75.71 141.54 42.65 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.154 0.502 . . . . 0.24 111.169 -178.261 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 589' ' ' LEU . . . . . 0.546 ' HB3' ' SG ' ' A' ' 525' ' ' CYS . 60.4 tp -112.4 111.55 22.48 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.413 -0.812 . . . . 0.38 110.009 176.049 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 590' ' ' ILE . . . . . 0.525 HD12 ' CD2' ' A' ' 576' ' ' TYR . 17.1 mt -103.28 118.98 51.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 N-CA-C 109.66 -0.496 . . . . 0.26 109.66 175.659 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 591' ' ' ARG . . . . . . . . . . . . . 50.9 mtp180 -144.23 165.99 26.31 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.424 -0.353 . . . . 2.62 110.543 -177.345 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 592' ' ' MET . . . . . . . . . . . . . 56.2 mtt -81.06 140.89 34.84 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.36 -0.382 . . . . 0.34 110.25 -179.28 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 593' ' ' SER . . . . . . . . . . . . . 40.5 t -84.58 132.77 34.47 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.517 0.675 . . . . 1.37 111.41 -176.018 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 594' ' ' THR . . . . . 0.42 ' HA ' HE22 ' A' ' 514' ' ' GLN . 19.5 p -90.88 -12.76 35.21 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-N 114.279 -1.328 . . . . 0.38 111.252 178.293 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 595' ' ' ARG . . . . . . . . . . . . . 60.2 mtp180 -101.22 -29.58 12.02 Favored 'General case' 0 C--N 1.332 -0.169 0 N-CA-C 112.839 0.681 . . . . 2.75 112.839 -170.662 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 596' ' ' TYR . . . . . 0.434 ' C ' ' HD2' ' A' ' 597' ' ' LYS . 70.0 m-85 -123.79 151.81 42.92 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.218 0.532 . . . . 0.65 112.248 -176.204 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 597' ' ' LYS . . . . . 0.579 ' N ' ' HD2' ' A' ' 597' ' ' LYS . 0.1 OUTLIER -109.26 -22.03 12.27 Favored 'General case' 0 C--O 1.223 -0.291 0 CA-C-N 115.137 -0.938 . . . . 2.18 111.679 -177.698 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 598' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -147.13 150.51 35.12 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.013 0.435 . . . . 0.95 111.195 179.749 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 599' ' ' LEU . . . . . 0.725 HD21 HG13 ' A' ' 521' ' ' VAL . 70.6 mt -104.23 127.41 51.85 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.52 -0.764 . . . . 0.45 111.436 177.674 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 600' ' ' GLN . . . . . . . . . . . . . 24.6 tt0 -113.76 133.53 55.32 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.119 -0.946 . . . . 1.52 110.143 179.123 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 601' ' ' LEU . . . . . . . . . . . . . 53.1 mt -88.46 96.23 10.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.095 0.474 . . . . 0.46 111.464 -178.951 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 602' ' ' LYS . . . . . . . . . . . . . 14.2 mmmm -80.93 -10.95 59.66 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.999 -0.546 . . . . 1.73 110.376 174.717 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 603' ' ' LYS . . . . . . . . . . . . . 30.5 mmtp -127.57 148.8 68.18 Favored Pre-proline 0 C--N 1.326 -0.455 0 CA-C-N 115.613 -0.721 . . . . 1.69 109.71 -179.203 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 604' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_endo -76.67 153.32 33.93 Favored 'Trans proline' 0 C--N 1.343 0.289 0 C-N-CA 122.804 2.336 . . . . 1.21 112.586 179.297 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 605' ' ' GLY . . . . . . . . . . . . . . . -135.58 -175.83 14.04 Favored Glycine 0 N--CA 1.444 -0.83 0 C-N-CA 121.37 -0.443 . . . . 1.23 112.233 -179.024 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 606' ' ' LYS . . . . . . . . . . . . . 39.9 mmtm -95.72 160.84 14.29 Favored 'General case' 0 C--N 1.316 -0.863 0 N-CA-C 109.397 -0.594 . . . . 3.47 109.397 179.6 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 607' ' ' ASN . . . . . . . . . . . . . 27.6 t30 -62.23 121.8 14.03 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.94 0.4 . . . . 1.33 110.707 174.485 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 608' ' ' VAL . . . . . 0.514 HG11 ' HB ' ' A' ' 547' ' ' VAL . 60.8 t -72.91 -22.91 20.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-N 115.815 -0.63 . . . . 0.3 111.079 -175.777 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 609' ' ' ALA . . . . . . . . . . . . . . . -65.9 -36.09 82.43 Favored 'General case' 0 C--O 1.239 0.545 0 CA-C-O 121.39 0.614 . . . . 0.44 110.466 176.031 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 610' ' ' ALA . . . . . . . . . . . . . . . -64.21 -29.68 70.77 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.7 -0.682 . . . . 0.4 109.926 176.258 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 611' ' ' ILE . . . . . 0.53 ' CD1' HD12 ' A' ' 538' ' ' ILE . 64.7 mt -69.22 -32.9 55.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-N 115.481 -0.781 . . . . 0.25 109.874 179.663 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 612' ' ' ILE . . . . . 0.46 HG12 HD13 ' A' ' 542' ' ' LEU . 61.9 mt -60.23 -42.19 89.5 Favored 'Isoleucine or valine' 0 C--O 1.232 0.179 0 CA-C-O 121.234 0.54 . . . . 0.31 109.6 173.528 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 613' ' ' GLN . . . . . . . . . . . . . 82.7 mt-30 -62.63 -38.65 91.05 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.577 -0.738 . . . . 2.31 109.857 177.629 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 614' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -65.37 -42.57 92.58 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 114.829 -1.078 . . . . 1.95 110.851 179.591 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 615' ' ' ILE . . . . . 0.49 ' CD1' ' HB2' ' A' ' 542' ' ' LEU . 82.7 mt -60.46 -41.6 88.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.462 -0.336 . . . . 0.35 110.829 178.492 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 616' ' ' HIS . . . . . . . . . . . . . 54.0 m80 -65.33 -28.38 69.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.453 -0.339 . . . . 1.26 110.96 179.211 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 617' ' ' SER . . . . . . . . . . . . . 20.0 m -75.76 -37.51 59.2 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.084 0.468 . . . . 1.18 110.477 174.929 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 618' ' ' GLN . . . . . . . . . . . . . 37.2 mt-30 -76.36 -61.09 2.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.711 -0.677 . . . . 4.68 111.776 -177.044 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 619' ' ' ARG . . . . . . . . . . . . . 79.5 mtm180 67.6 116.38 0.03 OUTLIER 'General case' 0 C--O 1.235 0.33 0 C-N-CA 123.103 0.561 . . . . 7.77 111.216 -178.109 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 620' ' ' GLU . . . . . 0.414 ' HG2' ' N ' ' A' ' 621' ' ' ARG . 35.0 tt0 -60.36 157.45 13.76 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.891 -0.595 . . . . 7.92 110.947 179.967 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 621' ' ' ARG . . . . . 0.414 ' N ' ' HG2' ' A' ' 620' ' ' GLU . 99.3 mtt180 . . . . . 0 C--O 1.248 0.989 0 CA-C-O 118.512 -0.756 . . . . 11.0 110.858 178.914 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 1' ' ' ADN . . . . . 0.851 " H4'" " O5'" ' B' ' 2' ' ' ' U' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 2' ' ' ' U' . . . . . 0.851 " O5'" " H4'" ' B' ' 1' ' ' ADN . . . . . . . . 0 O5'--C5' 1.425 -0.929 0 C4'-C3'-O3' 113.932 1.282 OUTLIER-EPSILON 0.0 '__' . 2.99 . . . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 3' ' ' ' C' . . . . . 0.82 " H2'" ' HD2' ' A' ' 595' ' ' ARG . . . . . . . . 0 O5'--C5' 1.426 -0.899 0 P-O3'-C3' 122.861 2.634 . 0.0 OUTLIER epsilon-1 1.58 . . . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 4' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.933 0 C3'-C2'-C1' 100.103 -1.552 . 0.0 OUTLIER . 1.15 . . . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 5' ' ' ' U' . . . . . 0.689 " H4'" ' HA ' ' A' ' 553' ' ' MET . . . . . . . . 0 O5'--C5' 1.425 -0.943 0 O4'-C1'-N19 109.682 1.482 . 0.0 OUTLIER gamma 1.33 . . . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 6' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.908 0 C3'-C2'-C1' 100.65 -0.945 . 0.0 OUTLIER . 4.23 . . . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 510' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.89 0 N-CA-C 112.166 -0.374 . . . . 8.88 112.166 . . . . . . . . . 0 0 . 1 . 024 nuclear build full ' A' A ' 511' ' ' ALA . . . . . . . . . . . . . . . 54.19 41.1 32.16 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-O 121.049 0.452 . . . . 6.64 111.325 179.562 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 512' ' ' MET . . . . . . . . . . . . . 49.2 tpp -69.0 -57.17 5.81 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.951 -0.568 . . . . 6.33 111.04 -178.148 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 513' ' ' ALA . . . . . 0.662 ' O ' ' HG2' ' A' ' 516' ' ' LYS . . . -126.38 61.34 1.3 Allowed 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.188 -0.46 . . . . 4.2 110.69 -178.259 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 514' ' ' GLN . . . . . . . . . . . . . 92.3 mt-30 63.19 -85.85 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.587 -0.733 . . . . 2.88 110.912 -177.418 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 515' ' ' ARG . . . . . . . . . . . . . 39.4 mmt180 -144.65 65.8 1.27 Allowed 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 110.268 -0.271 . . . . 4.0 110.268 178.899 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 516' ' ' LYS . . . . . 0.662 ' HG2' ' O ' ' A' ' 513' ' ' ALA . 67.3 mmtt -119.19 51.85 1.11 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.033 0.444 . . . . 1.89 110.183 178.564 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 517' ' ' GLY . . . . . . . . . . . . . . . -106.69 -95.35 2.4 Favored Glycine 0 N--CA 1.446 -0.642 0 C-N-CA 120.777 -0.725 . . . . 2.04 111.451 177.768 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 518' ' ' ALA . . . . . . . . . . . . . . . -84.47 74.64 10.35 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 109.28 -0.637 . . . . 1.75 109.28 174.899 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 519' ' ' GLY . . . . . . . . . . . . . . . 123.32 107.26 1.83 Allowed Glycine 0 N--CA 1.445 -0.762 0 N-CA-C 110.865 -0.894 . . . . 0.67 110.865 -172.763 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 520' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -126.3 132.65 51.6 Favored 'General case' 0 C--N 1.323 -0.55 0 C-N-CA 120.101 -0.64 . . . . 2.22 110.233 -179.962 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 521' ' ' VAL . . . . . 0.661 ' HB ' ' OG ' ' A' ' 593' ' ' SER . 57.4 t -117.53 124.32 72.9 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.01 0 CA-C-N 115.736 -0.666 . . . . 0.32 109.939 168.77 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 522' ' ' VAL . . . . . 0.437 HG11 ' CE ' ' A' ' 563' ' ' MET . 25.4 t -119.79 122.92 69.9 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.04 0 N-CA-C 106.922 -1.51 . . . . 0.22 106.922 174.302 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 523' ' ' HIS . . . . . . . . . . . . . 25.0 t60 -103.85 133.4 48.89 Favored 'General case' 0 C--N 1.318 -0.787 0 O-C-N 121.722 -0.611 . . . . 0.44 110.417 -169.687 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 524' ' ' ILE . . . . . 0.509 HD11 HD22 ' A' ' 561' ' ' LEU . 29.5 mt -111.07 136.54 46.81 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.834 0 CA-C-N 115.297 -0.865 . . . . 0.19 109.101 -179.328 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 525' ' ' CYS . . . . . 0.436 ' O ' ' HB2' ' A' ' 526' ' ' ASN . 42.4 t -133.71 160.28 38.02 Favored 'General case' 0 C--N 1.315 -0.913 0 C-N-CA 121.13 -0.228 . . . . 1.17 110.797 -175.06 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 526' ' ' ASN . . . . . 0.48 ' HB2' ' HA ' ' A' ' 588' ' ' LEU . 77.2 m-20 86.9 28.83 0.04 OUTLIER 'General case' 0 N--CA 1.469 0.49 0 O-C-N 124.674 1.234 . . . . 0.26 110.674 173.506 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 527' ' ' LEU . . . . . 0.468 ' HB3' ' SG ' ' A' ' 532' ' ' CYS . 82.1 mt -84.98 124.85 71.91 Favored Pre-proline 0 C--N 1.325 -0.489 0 N-CA-C 109.296 -0.631 . . . . 0.25 109.296 178.118 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 528' ' ' PRO . . . . . 0.424 ' HD3' ' HA ' ' A' ' 527' ' ' LEU . 12.2 Cg_exo -68.8 134.57 30.43 Favored 'Trans proline' 0 N--CA 1.461 -0.407 0 C-N-CA 121.861 1.707 . . . . 0.38 111.786 -178.692 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 529' ' ' GLU . . . . . . . . . . . . . 28.1 tt0 -65.79 136.4 56.15 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 109.454 -0.573 . . . . 1.6 109.454 178.602 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 530' ' ' GLY . . . . . . . . . . . . . . . 86.83 4.39 82.43 Favored Glycine 0 N--CA 1.446 -0.635 0 C-N-CA 120.006 -1.093 . . . . 0.48 111.501 -175.441 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 531' ' ' SER . . . . . . . . . . . . . 63.1 m -150.08 14.29 0.8 Allowed 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.262 0.553 . . . . 1.08 110.265 -176.913 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 532' ' ' CYS . . . . . 0.554 ' HB2' ' HD2' ' A' ' 554' ' ' LYS . 76.3 m -89.7 84.22 6.29 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 108.964 -0.754 . . . . 0.25 108.964 177.631 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 533' ' ' THR . . . . . 0.623 ' O ' HG23 ' A' ' 537' ' ' VAL . 74.5 p -99.39 148.31 24.34 Favored 'General case' 0 N--CA 1.444 -0.732 0 C-N-CA 119.869 -0.732 . . . . 0.35 109.266 -178.618 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 534' ' ' GLU . . . . . 0.585 ' HA ' HD11 ' A' ' 552' ' ' LEU . 36.9 mt-10 -67.67 -34.76 77.57 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-O 121.642 0.734 . . . . 1.64 109.42 -179.553 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 535' ' ' ASN . . . . . . . . . . . . . 10.2 t30 -61.87 -48.54 80.04 Favored 'General case' 0 N--CA 1.443 -0.791 0 CA-C-N 114.205 -1.361 . . . . 1.82 110.981 -176.678 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 536' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -71.05 -40.88 71.4 Favored 'General case' 0 N--CA 1.473 0.676 0 CA-C-O 121.146 0.498 . . . . 0.61 111.29 -176.091 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 537' ' ' VAL . . . . . 0.623 HG23 ' O ' ' A' ' 533' ' ' THR . 48.2 t -59.52 -48.14 88.36 Favored 'Isoleucine or valine' 0 C--O 1.242 0.66 0 CA-C-O 122.118 0.961 . . . . 0.15 109.701 179.158 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 538' ' ' ILE . . . . . 0.731 HG23 HG21 ' A' ' 547' ' ' VAL . 40.5 mt -68.68 -32.59 55.63 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.719 0 CA-C-N 115.246 -0.888 . . . . 0.23 111.671 175.197 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 539' ' ' ASN . . . . . 0.454 ' HA ' HD11 ' A' ' 615' ' ' ILE . 11.3 m120 -57.49 -26.79 61.81 Favored 'General case' 0 N--CA 1.469 0.498 0 N-CA-C 110.077 -0.342 . . . . 0.25 110.077 176.113 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 540' ' ' LEU . . . . . 0.553 ' HB3' ' OH ' ' A' ' 576' ' ' TYR . 87.9 mt -75.97 -43.07 46.33 Favored 'General case' 0 N--CA 1.448 -0.549 0 N-CA-C 109.82 -0.437 . . . . 0.27 109.82 174.269 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 541' ' ' GLY . . . . . 0.478 ' HA2' ' SD ' ' A' ' 572' ' ' MET . . . -65.69 -51.48 46.74 Favored Glycine 0 CA--C 1.526 0.725 0 N-CA-C 115.322 0.889 . . . . 0.19 115.322 -179.119 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 542' ' ' LEU . . . . . 0.48 ' HA ' ' O ' ' A' ' 545' ' ' GLY . 56.3 mt -57.12 -46.5 99.85 Favored Pre-proline 0 C--N 1.322 -0.616 0 N-CA-C 114.906 1.447 . . . . 0.2 114.906 -168.286 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 543' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -58.92 -26.67 82.02 Favored 'Trans proline' 0 C--N 1.349 0.562 0 C-N-CA 122.042 1.828 . . . . 0.23 113.514 -176.792 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 544' ' ' PHE . . . . . 0.502 ' HB2' ' HE2' ' A' ' 572' ' ' MET . 76.7 m-85 -98.01 -16.35 19.68 Favored 'General case' 0 C--N 1.33 -0.27 0 C-N-CA 120.69 -0.404 . . . . 0.33 110.826 178.939 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 545' ' ' GLY . . . . . 0.48 ' O ' ' HA ' ' A' ' 542' ' ' LEU . . . 173.59 161.26 23.47 Favored Glycine 0 C--O 1.226 -0.344 0 C-N-CA 120.763 -0.732 . . . . 0.44 112.281 178.62 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 546' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -67.78 133.59 49.51 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.112 0.482 . . . . 2.07 111.325 -177.181 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 547' ' ' VAL . . . . . 0.731 HG21 HG23 ' A' ' 538' ' ' ILE . 73.0 t -87.95 116.09 29.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 CA-C-N 115.41 -0.814 . . . . 0.2 110.347 175.379 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 548' ' ' THR . . . . . . . . . . . . . 22.8 p -91.49 -35.5 14.28 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.327 -0.397 . . . . 0.31 111.632 179.23 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 549' ' ' ASN . . . . . . . . . . . . . 83.0 m-20 -143.97 152.9 41.68 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.916 0.389 . . . . 1.26 111.16 178.419 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 550' ' ' TYR . . . . . 0.708 ' CG ' HD11 ' A' ' 538' ' ' ILE . 1.6 p90 -151.41 149.94 29.87 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.638 -0.71 . . . . 0.31 109.843 176.901 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 551' ' ' ILE . . . . . 0.491 ' HB ' ' HB2' ' A' ' 560' ' ' PHE . 52.6 mt -146.37 124.0 4.09 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.51 0 N-CA-C 107.977 -1.12 . . . . 0.22 107.977 -178.98 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 552' ' ' LEU . . . . . 0.585 HD11 ' HA ' ' A' ' 534' ' ' GLU . 34.9 mt -108.19 126.78 53.19 Favored 'General case' 0 C--N 1.31 -1.141 0 C-N-CA 119.472 -0.891 . . . . 0.43 110.479 -179.76 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 553' ' ' MET . . . . . 0.689 ' HA ' " H4'" ' B' ' 5' ' ' ' U' . 71.0 mtm -108.94 82.03 1.54 Allowed 'General case' 0 C--N 1.32 -0.708 0 N-CA-C 108.211 -1.033 . . . . 1.03 108.211 176.924 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 554' ' ' LYS . . . . . 0.554 ' HD2' ' HB2' ' A' ' 532' ' ' CYS . 15.2 mmtm -53.32 -29.63 34.77 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 114.623 -1.171 . . . . 1.03 112.682 177.802 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 555' ' ' SER . . . . . . . . . . . . . 62.6 p -69.99 -42.19 73.41 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 120.678 0.275 . . . . 0.51 111.619 -175.029 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 556' ' ' THR . . . . . . . . . . . . . 43.4 p -98.38 4.8 48.54 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 112.199 0.444 . . . . 0.45 112.199 -175.517 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 557' ' ' ASN . . . . . . . . . . . . . 20.3 m120 59.55 39.28 21.75 Favored 'General case' 0 C--O 1.238 0.462 0 CA-C-O 121.314 0.578 . . . . 1.28 110.581 -177.718 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 558' ' ' GLN . . . . . . . . . . . . . 80.3 mt-30 -140.08 166.29 25.06 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.573 -0.74 . . . . 0.84 110.247 -176.147 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 559' ' ' ALA . . . . . 0.402 ' HB1' HD23 ' A' ' 552' ' ' LEU . . . -157.31 165.41 35.91 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 121.421 0.629 . . . . 0.16 112.303 -179.102 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 560' ' ' PHE . . . . . 0.491 ' HB2' ' HB ' ' A' ' 551' ' ' ILE . 95.4 m-85 -120.28 141.29 50.12 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.021 -0.99 . . . . 0.35 110.052 178.527 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 561' ' ' LEU . . . . . 0.509 HD22 HD11 ' A' ' 524' ' ' ILE . 64.4 tp -138.34 119.65 14.73 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.911 -0.586 . . . . 0.2 110.033 -179.706 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 562' ' ' GLU . . . . . 0.424 ' HB2' HD12 ' A' ' 599' ' ' LEU . 43.6 tt0 -100.46 130.86 46.6 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 121.603 0.716 . . . . 2.09 110.596 173.986 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 563' ' ' MET . . . . . 0.752 ' SD ' ' HA ' ' A' ' 569' ' ' ALA . 30.7 mtt -110.94 144.94 39.22 Favored 'General case' 0 C--N 1.314 -0.961 0 CA-C-N 114.419 -1.264 . . . . 0.39 108.452 -179.584 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 564' ' ' ALA . . . . . . . . . . . . . . . -58.8 -28.66 66.2 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 112.97 0.73 . . . . 0.5 112.97 -166.492 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 565' ' ' TYR . . . . . 0.413 ' CB ' ' HG2' ' A' ' 567' ' ' GLU . 91.9 m-85 -138.84 161.74 36.51 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.811 0.339 . . . . 1.15 110.388 179.685 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 566' ' ' THR . . . . . 0.615 ' HB ' ' O ' ' A' ' 516' ' ' LYS . 10.1 t -67.43 -28.23 67.72 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.035 -0.53 . . . . 0.57 110.248 179.096 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 567' ' ' GLU . . . . . 0.472 ' HA ' ' OE1' ' A' ' 570' ' ' GLN . 8.2 pt-20 -58.64 -33.22 69.82 Favored 'General case' 0 C--O 1.231 0.088 0 CA-C-N 115.783 -0.644 . . . . 0.89 111.039 177.542 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 568' ' ' ALA . . . . . 0.656 ' O ' ' HG3' ' A' ' 572' ' ' MET . . . -74.21 -43.64 56.35 Favored 'General case' 0 N--CA 1.449 -0.511 0 CA-C-N 116.08 -0.509 . . . . 0.26 110.013 -178.665 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 569' ' ' ALA . . . . . 0.752 ' HA ' ' SD ' ' A' ' 563' ' ' MET . . . -63.26 -45.28 92.25 Favored 'General case' 0 N--CA 1.454 -0.234 0 CA-C-N 115.759 -0.655 . . . . 0.24 111.324 -176.224 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 570' ' ' GLN . . . . . 0.472 ' OE1' ' HA ' ' A' ' 567' ' ' GLU . 4.9 pt20 -67.32 -36.09 80.76 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.066 -0.515 . . . . 1.24 110.882 -179.052 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 571' ' ' ALA . . . . . . . . . . . . . . . -66.68 -45.56 78.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.393 -0.367 . . . . 0.31 111.222 -178.952 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 572' ' ' MET . . . . . 0.656 ' HG3' ' O ' ' A' ' 568' ' ' ALA . 20.9 mtt -68.53 -43.53 76.52 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.514 -0.312 . . . . 0.47 111.034 -176.621 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 573' ' ' VAL . . . . . 0.692 ' O ' ' HG2' ' A' ' 577' ' ' GLN . 70.4 t -59.08 -46.66 91.73 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.152 0 N-CA-C 110.261 -0.274 . . . . 0.34 110.261 179.342 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 574' ' ' GLN . . . . . . . . . . . . . 15.6 mm100 -61.56 -36.85 81.81 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.004 -0.544 . . . . 2.09 111.008 178.361 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 575' ' ' TYR . . . . . 0.487 ' CE2' ' HE3' ' A' ' 579' ' ' LYS . 70.6 t80 -64.6 -51.97 59.95 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.879 -0.6 . . . . 0.48 110.649 -179.326 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 576' ' ' TYR . . . . . 0.729 ' CE2' HD12 ' A' ' 590' ' ' ILE . 68.1 m-85 -72.64 -14.13 61.52 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 112.751 0.648 . . . . 0.36 112.751 -176.771 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 577' ' ' GLN . . . . . 0.692 ' HG2' ' O ' ' A' ' 573' ' ' VAL . 84.4 mm-40 -67.89 -42.43 81.23 Favored 'General case' 0 C--N 1.326 -0.425 0 C-N-CA 120.469 -0.492 . . . . 1.89 109.908 173.066 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 578' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -90.47 -38.65 13.11 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.153 -0.476 . . . . 2.14 111.505 178.907 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 579' ' ' LYS . . . . . 0.523 ' O ' ' HA ' ' A' ' 576' ' ' TYR . 52.2 mtmt -132.21 93.98 24.77 Favored Pre-proline 0 C--N 1.327 -0.403 0 N-CA-C 110.043 -0.355 . . . . 2.46 110.043 176.762 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 580' ' ' PRO . . . . . . . . . . . . . 57.3 Cg_endo -71.4 161.13 46.56 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.857 2.371 . . . . 0.37 112.242 -178.937 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 581' ' ' ALA . . . . . 0.603 ' HB2' ' CE1' ' A' ' 576' ' ' TYR . . . -90.53 128.94 36.71 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 109.722 -0.473 . . . . 0.27 109.722 178.872 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 582' ' ' ILE . . . . . . . . . . . . . 53.5 mt -103.08 119.58 51.71 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.8 0 CA-C-O 121.018 0.437 . . . . 0.51 111.094 -175.341 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 583' ' ' ILE . . . . . 0.419 HG13 HD11 ' A' ' 588' ' ' LEU . 32.0 mm -124.38 117.8 51.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 N-CA-C 109.27 -0.641 . . . . 0.51 109.27 176.669 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 584' ' ' ASN . . . . . . . . . . . . . 3.5 m-20 59.97 33.42 21.42 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-O 121.326 0.584 . . . . 1.1 110.278 -179.469 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 585' ' ' GLY . . . . . . . . . . . . . . . 79.17 3.88 88.61 Favored Glycine 0 N--CA 1.447 -0.598 0 CA-C-N 115.511 -0.768 . . . . 0.44 113.161 179.288 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 586' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -109.8 127.56 54.74 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.066 0.46 . . . . 1.79 110.806 -179.855 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 587' ' ' LYS . . . . . . . . . . . . . 53.4 mttp -75.72 124.89 28.02 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.519 -0.764 . . . . 1.67 111.412 -178.432 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 588' ' ' LEU . . . . . 0.511 HD12 HD11 ' A' ' 540' ' ' LEU . 60.0 mt -83.21 140.46 32.54 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.83 -0.623 . . . . 0.24 110.978 179.702 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 589' ' ' LEU . . . . . . . . . . . . . 55.9 tp -112.41 111.16 21.8 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.814 -0.63 . . . . 0.38 109.991 179.005 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 590' ' ' ILE . . . . . 0.729 HD12 ' CE2' ' A' ' 576' ' ' TYR . 16.3 mt -102.51 128.23 55.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-O 120.75 0.309 . . . . 0.26 110.24 176.657 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 591' ' ' ARG . . . . . . . . . . . . . 19.7 mtp180 -145.84 164.14 32.85 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.94 -0.573 . . . . 2.62 109.939 -176.055 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 592' ' ' MET . . . . . 0.442 ' SD ' ' HB1' ' A' ' 513' ' ' ALA . 60.8 mtt -82.28 148.77 28.17 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 120.949 0.404 . . . . 0.34 110.586 179.481 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 593' ' ' SER . . . . . 0.661 ' OG ' ' HB ' ' A' ' 521' ' ' VAL . 76.1 p -82.66 132.62 35.18 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.964 -0.562 . . . . 1.37 111.359 -175.016 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 594' ' ' THR . . . . . . . . . . . . . 18.9 p -90.99 -21.97 21.03 Favored 'General case' 0 C--N 1.315 -0.9 0 CA-C-N 115.548 -0.751 . . . . 0.38 111.46 176.194 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 595' ' ' ARG . . . . . 0.82 ' HD2' " H2'" ' B' ' 3' ' ' ' C' . 94.1 mtt180 -103.99 -31.32 9.78 Favored 'General case' 0 CA--C 1.534 0.331 0 N-CA-C 113.525 0.935 . . . . 2.75 113.525 -167.718 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 596' ' ' TYR . . . . . . . . . . . . . 67.6 m-85 -124.41 142.47 51.28 Favored 'General case' 0 N--CA 1.467 0.384 0 O-C-N 121.997 -0.439 . . . . 0.65 111.827 -176.774 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 597' ' ' LYS . . . . . 0.449 ' N ' ' HD2' ' A' ' 597' ' ' LYS . 8.5 mptt -109.15 -7.43 15.31 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.817 -0.628 . . . . 2.18 112.37 179.738 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 598' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -143.8 150.51 38.64 Favored 'General case' 0 C--N 1.328 -0.368 0 C-N-CA 120.414 -0.514 . . . . 0.95 110.735 -178.19 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 599' ' ' LEU . . . . . 0.554 HD21 HG13 ' A' ' 521' ' ' VAL . 33.5 mt -108.11 121.49 44.94 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.557 -0.747 . . . . 0.45 111.172 176.649 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 600' ' ' GLN . . . . . . . . . . . . . 28.6 tt0 -106.51 126.9 52.84 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.21 -0.905 . . . . 1.52 109.746 178.714 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 601' ' ' LEU . . . . . . . . . . . . . 94.1 mt -91.23 89.12 7.18 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.149 0.5 . . . . 0.46 111.226 -176.019 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 602' ' ' LYS . . . . . . . . . . . . . 45.2 mtpt -79.04 -19.01 52.5 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.256 0.551 . . . . 1.73 110.088 177.176 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 603' ' ' LYS . . . . . . . . . . . . . 34.3 mmtp -115.87 152.52 47.59 Favored Pre-proline 0 C--N 1.324 -0.535 0 CA-C-N 115.733 -0.667 . . . . 1.69 109.983 179.629 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 604' ' ' PRO . . . . . . . . . . . . . 11.4 Cg_endo -55.41 131.83 48.55 Favored 'Trans proline' 0 C--N 1.344 0.318 0 C-N-CA 122.881 2.388 . . . . 1.21 112.224 178.883 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 605' ' ' GLY . . . . . . . . . . . . . . . 173.78 75.91 0.05 OUTLIER Glycine 0 N--CA 1.445 -0.723 0 N-CA-C 111.31 -0.716 . . . . 1.23 111.31 -177.899 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 606' ' ' LYS . . . . . . . . . . . . . 58.4 pttt -117.09 -30.72 5.58 Favored 'General case' 0 C--N 1.324 -0.508 0 C-N-CA 120.847 -0.341 . . . . 3.47 111.845 -174.791 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 607' ' ' ASN . . . . . . . . . . . . . 40.2 t-20 -80.75 119.19 23.02 Favored 'General case' 0 C--N 1.329 -0.309 0 C-N-CA 119.456 -0.898 . . . . 1.33 109.957 -178.818 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 608' ' ' VAL . . . . . 0.555 HG11 ' HB ' ' A' ' 547' ' ' VAL . 97.9 t -127.03 -5.44 4.58 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.815 0 CA-C-O 121.962 0.887 . . . . 0.3 108.834 174.781 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 609' ' ' ALA . . . . . . . . . . . . . . . -70.04 -44.12 69.86 Favored 'General case' 0 C--O 1.236 0.358 0 CA-C-N 115.089 -0.96 . . . . 0.44 110.446 178.106 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 610' ' ' ALA . . . . . . . . . . . . . . . -61.11 -29.7 69.92 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.166 -0.925 . . . . 0.4 110.55 -179.317 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 611' ' ' ILE . . . . . 0.574 ' CD1' HD12 ' A' ' 538' ' ' ILE . 72.4 mt -71.41 -34.29 52.94 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.501 0 CA-C-N 115.576 -0.738 . . . . 0.25 109.927 -178.624 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 612' ' ' ILE . . . . . 0.442 HG12 HD13 ' A' ' 542' ' ' LEU . 65.7 mt -60.68 -43.21 94.46 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.174 0 N-CA-C 109.725 -0.472 . . . . 0.31 109.725 174.055 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 613' ' ' GLN . . . . . . . . . . . . . 24.8 mm-40 -66.48 -35.26 79.82 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.837 -0.62 . . . . 2.31 109.8 179.917 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 614' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -65.98 -40.22 91.01 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 114.978 -1.01 . . . . 1.95 110.475 -179.872 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 615' ' ' ILE . . . . . 0.469 HG13 ' O ' ' A' ' 611' ' ' ILE . 87.4 mt -59.64 -42.2 87.63 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.227 0 CA-C-N 116.4 -0.364 . . . . 0.35 110.425 176.652 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 616' ' ' HIS . . . . . . . . . . . . . 56.0 m80 -65.88 -26.68 67.74 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.408 -0.36 . . . . 1.26 110.914 178.562 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 617' ' ' SER . . . . . . . . . . . . . 15.2 m -74.72 -29.47 61.19 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.92 0.39 . . . . 1.18 110.738 176.013 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 618' ' ' GLN . . . . . . . . . . . . . 31.2 mm-40 -92.24 -67.93 0.83 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.136 -0.484 . . . . 4.68 111.328 -177.759 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 619' ' ' ARG . . . . . . . . . . . . . 29.6 mtm-85 60.36 80.3 0.21 Allowed 'General case' 0 C--O 1.234 0.256 0 CA-C-N 115.722 -0.672 . . . . 7.77 111.172 -178.13 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 620' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -72.95 88.64 1.37 Allowed 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.069 0.461 . . . . 7.92 110.234 177.56 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 621' ' ' ARG . . . . . . . . . . . . . 29.3 mmm180 . . . . . 0 C--O 1.244 0.771 0 CA-C-O 118.523 -0.751 . . . . 11.0 109.503 177.828 . . . . . . . . 0 0 . 1 . 025 nuclear build full ' B' B ' 1' ' ' ADN . . . . . 0.451 " H2'" ' C6 ' ' B' ' 2' ' ' ' U' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 2' ' ' ' U' . . . . . 0.451 ' C6 ' " H2'" ' B' ' 1' ' ' ADN . . . . . . . . 0 O5'--C5' 1.426 -0.844 0 C3'-C2'-C1' 99.634 -2.074 . 0.0 '__' . 2.99 . . . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 3' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.939 0 C4'-C3'-C2' 104.09 1.39 . 0.0 OUTLIER . 1.58 . . . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 4' ' ' ' U' . . . . . 0.424 " H1'" ' C5 ' ' B' ' 5' ' ' ' U' . . . . . . . . 0 O5'--C5' 1.427 -0.837 0 C4'-C3'-C2' 103.881 1.181 . 0.0 OUTLIER gamma 1.15 . . . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 5' ' ' ' U' . . . . . 0.596 ' C2 ' HG23 ' A' ' 551' ' ' ILE . . . . . . . . 0 O5'--C5' 1.423 -1.044 0 C3'-C2'-C1' 99.245 -2.506 . 0.459 4b . 1.33 . . . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 6' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.928 0 C3'-C2'-C1' 100.567 -1.036 . 0.0 OUTLIER gamma 4.23 . . . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 510' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.776 0 N-CA-C 111.94 -0.464 . . . . 8.88 111.94 . . . . . . . . . 0 0 . 1 . 025 nuclear build full ' A' A ' 511' ' ' ALA . . . . . . . . . . . . . . . -132.42 48.42 2.42 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.161 0.505 . . . . 6.64 110.401 179.481 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 512' ' ' MET . . . . . . . . . . . . . 44.1 tpp -92.09 -27.49 17.73 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.01 -0.541 . . . . 6.33 110.87 -178.77 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 513' ' ' ALA . . . . . . . . . . . . . . . -101.08 46.42 0.94 Allowed 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.052 0.453 . . . . 4.2 111.123 -177.191 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 514' ' ' GLN . . . . . 0.459 ' HB3' ' HD3' ' A' ' 516' ' ' LYS . 12.1 mm100 -75.36 113.72 13.06 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.269 -0.423 . . . . 2.88 110.422 -179.877 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 515' ' ' ARG . . . . . . . . . . . . . 85.4 mtt180 -82.18 90.71 6.61 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.844 -0.617 . . . . 4.0 110.197 -179.325 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 516' ' ' LYS . . . . . 0.469 ' HE2' ' SD ' ' A' ' 592' ' ' MET . 25.8 mmmt -96.03 9.19 41.61 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.978 -0.555 . . . . 1.89 110.214 -176.644 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 517' ' ' GLY . . . . . . . . . . . . . . . -90.5 127.0 8.6 Favored Glycine 0 N--CA 1.447 -0.605 0 C-N-CA 120.794 -0.717 . . . . 2.04 111.915 179.894 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 518' ' ' ALA . . . . . . . . . . . . . . . 56.21 42.55 27.93 Favored 'General case' 0 C--O 1.23 0.077 0 CA-C-O 121.309 0.576 . . . . 1.75 110.325 -177.695 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 519' ' ' GLY . . . . . . . . . . . . . . . 158.47 114.63 0.4 Allowed Glycine 0 N--CA 1.444 -0.778 0 CA-C-N 115.316 -0.856 . . . . 0.67 111.064 -176.916 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 520' ' ' ARG . . . . . . . . . . . . . 49.0 mtm-85 -133.76 134.82 43.4 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.31 0.576 . . . . 2.22 111.031 179.078 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 521' ' ' VAL . . . . . 0.652 HG13 HD21 ' A' ' 599' ' ' LEU . 91.4 t -115.65 122.7 69.98 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.872 0 CA-C-N 115.145 -0.934 . . . . 0.32 110.349 170.465 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 522' ' ' VAL . . . . . 0.535 ' HB ' ' O ' ' A' ' 561' ' ' LEU . 22.3 t -120.66 121.2 64.74 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.732 0 N-CA-C 107.672 -1.233 . . . . 0.22 107.672 174.113 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 523' ' ' HIS . . . . . . . . . . . . . 40.7 t-80 -106.31 130.13 54.2 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-O 121.058 0.456 . . . . 0.44 110.12 -173.765 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 524' ' ' ILE . . . . . 0.496 HD11 HD22 ' A' ' 561' ' ' LEU . 31.5 mt -111.17 136.04 48.47 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.999 0 N-CA-C 108.717 -0.845 . . . . 0.19 108.717 178.621 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 525' ' ' CYS . . . . . 0.507 ' O ' ' HB2' ' A' ' 526' ' ' ASN . 1.8 p -139.03 166.61 24.06 Favored 'General case' 0 C--N 1.311 -1.092 0 C-N-CA 120.684 -0.406 . . . . 1.17 111.3 -173.764 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 526' ' ' ASN . . . . . 0.507 ' HB2' ' O ' ' A' ' 525' ' ' CYS . 95.5 m-20 87.39 28.25 0.03 OUTLIER 'General case' 0 N--CA 1.468 0.462 0 O-C-N 124.983 1.427 . . . . 0.26 110.291 178.041 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 527' ' ' LEU . . . . . 0.431 ' HA ' ' HD3' ' A' ' 528' ' ' PRO . 81.3 mt -87.49 125.58 64.96 Favored Pre-proline 0 N--CA 1.449 -0.524 0 CA-C-N 115.207 -0.906 . . . . 0.25 108.86 177.036 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 528' ' ' PRO . . . . . 0.431 ' HD3' ' HA ' ' A' ' 527' ' ' LEU . 6.9 Cg_exo -70.56 134.6 26.64 Favored 'Trans proline' 0 N--CA 1.46 -0.499 0 C-N-CA 121.727 1.618 . . . . 0.38 111.566 -178.873 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 529' ' ' GLU . . . . . . . . . . . . . 52.9 tt0 -66.06 133.82 51.56 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.155 -0.475 . . . . 1.6 109.721 178.782 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 530' ' ' GLY . . . . . . . . . . . . . . . 87.64 3.55 80.73 Favored Glycine 0 N--CA 1.446 -0.639 0 C-N-CA 120.305 -0.95 . . . . 0.48 111.13 -173.382 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 531' ' ' SER . . . . . . . . . . . . . 57.3 m -149.05 17.86 0.97 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.005 0.431 . . . . 1.08 110.73 -177.167 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 532' ' ' CYS . . . . . 0.414 ' HB2' ' HD2' ' A' ' 554' ' ' LYS . 57.3 m -92.02 95.2 9.65 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 108.921 -0.77 . . . . 0.25 108.921 177.0 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 533' ' ' THR . . . . . 0.563 ' O ' HG23 ' A' ' 537' ' ' VAL . 81.1 p -106.92 150.2 26.68 Favored 'General case' 0 C--N 1.322 -0.609 0 C-N-CA 120.372 -0.531 . . . . 0.35 110.114 -177.737 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 534' ' ' GLU . . . . . 0.569 ' N ' HD11 ' A' ' 552' ' ' LEU . 37.2 mt-10 -67.48 -35.84 79.94 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.354 0.597 . . . . 1.64 110.065 -178.93 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 535' ' ' ASN . . . . . . . . . . . . . 54.9 t30 -63.21 -48.55 77.83 Favored 'General case' 0 C--O 1.215 -0.754 0 CA-C-N 114.847 -1.069 . . . . 1.82 111.232 -173.737 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 536' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -70.66 -40.9 72.73 Favored 'General case' 0 N--CA 1.469 0.478 0 CA-C-O 121.207 0.527 . . . . 0.61 111.438 -173.701 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 537' ' ' VAL . . . . . 0.563 HG23 ' O ' ' A' ' 533' ' ' THR . 38.3 t -59.77 -47.92 89.53 Favored 'Isoleucine or valine' 0 C--O 1.241 0.656 0 CA-C-O 122.149 0.976 . . . . 0.15 109.575 179.2 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 538' ' ' ILE . . . . . 0.617 HD11 ' CG ' ' A' ' 550' ' ' TYR . 66.6 mt -68.43 -33.28 59.36 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.728 0 CA-C-N 114.936 -1.029 . . . . 0.23 111.364 175.799 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 539' ' ' ASN . . . . . 0.535 ' HA ' HD11 ' A' ' 615' ' ' ILE . 11.1 m120 -57.35 -27.73 62.52 Favored 'General case' 0 CA--C 1.51 -0.56 0 N-CA-C 110.08 -0.341 . . . . 0.25 110.08 177.108 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 540' ' ' LEU . . . . . 0.66 HD11 HD12 ' A' ' 588' ' ' LEU . 40.5 mt -76.62 -41.42 46.05 Favored 'General case' 0 C--N 1.321 -0.638 0 C-N-CA 120.704 -0.398 . . . . 0.27 110.37 174.433 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 541' ' ' GLY . . . . . 0.496 ' HA3' HD21 ' A' ' 561' ' ' LEU . . . -64.57 -51.2 54.21 Favored Glycine 0 CA--C 1.527 0.801 0 N-CA-C 115.814 1.086 . . . . 0.19 115.814 -179.753 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 542' ' ' LEU . . . . . 0.508 HD13 ' CG1' ' A' ' 612' ' ' ILE . 54.7 mt -62.08 -42.73 83.33 Favored Pre-proline 0 C--N 1.319 -0.749 0 N-CA-C 115.448 1.647 . . . . 0.2 115.448 -168.326 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 543' ' ' PRO . . . . . 0.4 ' HG3' HG21 ' A' ' 615' ' ' ILE . 50.7 Cg_exo -60.18 -26.73 83.3 Favored 'Trans proline' 0 CA--C 1.531 0.329 0 C-N-CA 121.547 1.498 . . . . 0.23 113.362 -178.12 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 544' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -102.47 -15.09 16.58 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 112.148 0.425 . . . . 0.33 112.148 -179.555 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 545' ' ' GLY . . . . . 0.442 ' O ' ' HA ' ' A' ' 542' ' ' LEU . . . -171.59 -175.53 39.99 Favored Glycine 0 C--O 1.224 -0.476 0 C-N-CA 120.089 -1.053 . . . . 0.44 112.599 -177.074 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 546' ' ' LYS . . . . . . . . . . . . . 25.1 ttmm -94.99 122.74 37.95 Favored 'General case' 0 C--N 1.318 -0.775 0 N-CA-C 109.854 -0.425 . . . . 2.07 109.854 -178.152 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 547' ' ' VAL . . . . . 0.589 ' HB ' HG11 ' A' ' 608' ' ' VAL . 83.1 t -88.96 113.46 25.62 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.63 0 CA-C-O 121.316 0.579 . . . . 0.2 110.271 175.289 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 548' ' ' THR . . . . . . . . . . . . . 21.4 p -98.35 -34.97 10.46 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-N 115.536 -0.756 . . . . 0.31 111.544 177.975 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 549' ' ' ASN . . . . . 0.458 ' HB2' ' HB3' ' A' ' 562' ' ' GLU . 7.0 m-20 -140.5 150.59 43.94 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.011 -0.541 . . . . 1.26 110.324 -178.657 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 550' ' ' TYR . . . . . 0.617 ' CG ' HD11 ' A' ' 538' ' ' ILE . 1.2 p90 -151.82 150.78 30.51 Favored 'General case' 0 C--N 1.317 -0.827 0 CA-C-N 115.449 -0.796 . . . . 0.31 109.008 179.348 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 551' ' ' ILE . . . . . 0.596 HG23 ' C2 ' ' B' ' 5' ' ' ' U' . 47.8 mt -144.4 123.38 6.8 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 N-CA-C 108.246 -1.02 . . . . 0.22 108.246 -176.529 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 552' ' ' LEU . . . . . 0.569 HD11 ' N ' ' A' ' 534' ' ' GLU . 23.8 mt -107.56 122.28 46.35 Favored 'General case' 0 C--N 1.317 -0.846 0 C-N-CA 120.117 -0.633 . . . . 0.43 109.954 -179.475 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 553' ' ' MET . . . . . 0.541 ' HA ' " H4'" ' B' ' 5' ' ' ' U' . 53.6 mtm -109.0 82.49 1.6 Allowed 'General case' 0 C--N 1.316 -0.867 0 N-CA-C 108.592 -0.892 . . . . 1.03 108.592 179.529 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 554' ' ' LYS . . . . . 0.414 ' HD2' ' HB2' ' A' ' 532' ' ' CYS . 24.7 mmtp -54.08 -29.96 46.48 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 114.483 -1.235 . . . . 1.03 112.643 178.212 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 555' ' ' SER . . . . . . . . . . . . . 61.2 p -69.99 -41.39 74.46 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 120.808 0.337 . . . . 0.51 111.031 -174.925 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 556' ' ' THR . . . . . . . . . . . . . 71.6 p -98.08 3.85 49.23 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 112.304 0.483 . . . . 0.45 112.304 -177.3 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 557' ' ' ASN . . . . . . . . . . . . . 3.5 m-20 58.74 38.72 24.83 Favored 'General case' 0 N--CA 1.47 0.57 0 CA-C-O 121.563 0.697 . . . . 1.28 110.367 -178.868 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 558' ' ' GLN . . . . . . . . . . . . . 42.6 mt-30 -142.04 168.05 20.68 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.303 -0.862 . . . . 0.84 110.154 -176.682 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 559' ' ' ALA . . . . . 0.426 ' HB1' HD23 ' A' ' 552' ' ' LEU . . . -156.94 165.1 37.12 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.118 0.485 . . . . 0.16 111.686 -176.932 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 560' ' ' PHE . . . . . 0.437 ' HB2' ' HB ' ' A' ' 551' ' ' ILE . 85.1 m-85 -120.98 149.91 41.94 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.875 -0.602 . . . . 0.35 111.337 176.737 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 561' ' ' LEU . . . . . 0.535 ' O ' ' HB ' ' A' ' 522' ' ' VAL . 51.4 tp -137.22 120.44 16.79 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.289 -0.869 . . . . 0.2 109.897 -178.845 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 562' ' ' GLU . . . . . 0.458 ' HB3' ' HB2' ' A' ' 549' ' ' ASN . 31.3 tt0 -98.94 132.86 43.94 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.345 0.593 . . . . 2.09 110.612 179.031 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 563' ' ' MET . . . . . 0.624 ' SD ' ' HA ' ' A' ' 569' ' ' ALA . 39.0 mtt -118.78 152.85 35.43 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 114.943 -1.026 . . . . 0.39 109.142 -177.418 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 564' ' ' ALA . . . . . . . . . . . . . . . -76.83 -20.06 56.8 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.333 -0.394 . . . . 0.5 111.86 -169.212 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 565' ' ' TYR . . . . . 0.424 ' HB3' ' HG2' ' A' ' 567' ' ' GLU . 91.5 m-85 -141.7 151.86 43.35 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.388 -0.369 . . . . 1.15 110.383 179.917 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 566' ' ' THR . . . . . . . . . . . . . 15.0 t -67.76 -27.63 66.94 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-N 115.686 -0.688 . . . . 0.57 110.454 -178.671 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 567' ' ' GLU . . . . . 0.424 ' HG2' ' HB3' ' A' ' 565' ' ' TYR . 7.7 pt-20 -58.77 -31.81 68.71 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-N 116.005 -0.543 . . . . 0.89 111.343 176.011 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 568' ' ' ALA . . . . . 0.653 ' O ' ' HG3' ' A' ' 572' ' ' MET . . . -72.97 -42.56 63.23 Favored 'General case' 0 N--CA 1.449 -0.488 0 CA-C-N 116.278 -0.419 . . . . 0.26 110.22 -177.653 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 569' ' ' ALA . . . . . 0.624 ' HA ' ' SD ' ' A' ' 563' ' ' MET . . . -64.09 -45.9 86.63 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.925 -0.579 . . . . 0.24 111.535 -175.908 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 570' ' ' GLN . . . . . . . . . . . . . 3.8 pt20 -69.11 -36.1 77.16 Favored 'General case' 0 C--N 1.328 -0.338 0 C-N-CA 120.697 -0.401 . . . . 1.24 110.707 -178.346 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 571' ' ' ALA . . . . . . . . . . . . . . . -64.39 -44.11 92.36 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.241 -0.436 . . . . 0.31 111.06 -179.777 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 572' ' ' MET . . . . . 0.653 ' HG3' ' O ' ' A' ' 568' ' ' ALA . 28.4 mtt -67.82 -41.49 82.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.439 -0.346 . . . . 0.47 110.506 -179.207 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 573' ' ' VAL . . . . . 0.534 HG23 ' O ' ' A' ' 569' ' ' ALA . 82.0 t -58.54 -45.96 90.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 N-CA-C 110.039 -0.356 . . . . 0.34 110.039 177.817 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 574' ' ' GLN . . . . . . . . . . . . . 15.3 mm-40 -60.98 -40.3 92.92 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.39 -0.368 . . . . 2.09 110.989 178.463 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 575' ' ' TYR . . . . . . . . . . . . . 76.5 t80 -68.0 -53.03 29.02 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 116.057 -0.52 . . . . 0.48 110.928 -177.685 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 576' ' ' TYR . . . . . 0.471 ' CD2' HD12 ' A' ' 590' ' ' ILE . 93.2 m-85 -75.04 -12.61 60.36 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 112.971 0.73 . . . . 0.36 112.971 -174.96 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 577' ' ' GLN . . . . . 0.473 ' HA ' ' OE1' ' A' ' 577' ' ' GLN . 12.4 mm-40 -74.22 -41.42 61.4 Favored 'General case' 0 C--N 1.323 -0.557 0 C-N-CA 120.282 -0.567 . . . . 1.89 110.173 171.261 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 578' ' ' GLU . . . . . . . . . . . . . 48.6 mt-10 -87.39 -37.75 16.78 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.353 -0.385 . . . . 2.14 111.318 179.329 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 579' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -133.21 85.4 44.83 Favored Pre-proline 0 C--N 1.326 -0.424 0 CA-C-O 120.765 0.317 . . . . 2.46 110.269 176.898 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 580' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo -70.12 161.89 44.3 Favored 'Trans proline' 0 C--O 1.236 0.38 0 C-N-CA 123.147 2.564 . . . . 0.37 112.759 -179.793 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 581' ' ' ALA . . . . . . . . . . . . . . . -92.85 137.9 31.96 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.03 -0.532 . . . . 0.27 110.353 -178.924 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 582' ' ' ILE . . . . . . . . . . . . . 65.5 mt -98.94 122.03 50.2 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.682 0 CA-C-O 120.945 0.403 . . . . 0.51 111.116 -177.344 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 583' ' ' ILE . . . . . 0.606 HG13 HD11 ' A' ' 588' ' ' LEU . 28.5 mm -126.89 112.29 28.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 115.979 -0.555 . . . . 0.51 109.908 175.296 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 584' ' ' ASN . . . . . . . . . . . . . 20.1 m120 53.73 39.71 30.59 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-O 121.482 0.658 . . . . 1.1 111.03 -179.483 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 585' ' ' GLY . . . . . . . . . . . . . . . 84.62 0.12 89.24 Favored Glycine 0 N--CA 1.445 -0.737 0 CA-C-N 114.958 -1.019 . . . . 0.44 113.926 175.149 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 586' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -114.63 127.75 55.94 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 117.263 0.531 . . . . 1.79 111.005 -179.89 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 587' ' ' LYS . . . . . . . . . . . . . 96.3 mttt -73.3 130.13 39.53 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.723 -0.671 . . . . 1.67 111.327 179.548 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 588' ' ' LEU . . . . . 0.66 HD12 HD11 ' A' ' 540' ' ' LEU . 33.5 mt -85.54 141.2 30.04 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.011 -0.541 . . . . 0.24 111.032 179.689 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 589' ' ' LEU . . . . . 0.417 ' HB3' ' SG ' ' A' ' 525' ' ' CYS . 61.1 tp -112.7 112.41 23.91 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.825 -0.625 . . . . 0.38 110.486 178.213 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 590' ' ' ILE . . . . . 0.471 HD12 ' CD2' ' A' ' 576' ' ' TYR . 23.5 mt -99.89 120.21 48.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 N-CA-C 109.899 -0.408 . . . . 0.26 109.899 175.217 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 591' ' ' ARG . . . . . . . . . . . . . 58.1 mtp180 -147.46 165.36 30.51 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.242 -0.436 . . . . 2.62 110.332 -176.643 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 592' ' ' MET . . . . . 0.469 ' SD ' ' HE2' ' A' ' 516' ' ' LYS . 52.0 mtt -83.29 139.44 33.07 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 109.73 -0.47 . . . . 0.34 109.73 179.473 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 593' ' ' SER . . . . . . . . . . . . . 37.7 t -78.46 139.98 38.67 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.365 0.602 . . . . 1.37 110.965 -178.473 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 594' ' ' THR . . . . . . . . . . . . . 21.0 p -90.21 -13.02 36.34 Favored 'General case' 0 C--N 1.316 -0.875 0 CA-C-N 114.934 -1.03 . . . . 0.38 111.493 -178.98 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 595' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -101.73 -27.46 13.03 Favored 'General case' 0 C--O 1.234 0.26 0 N-CA-C 113.055 0.761 . . . . 2.75 113.055 -169.671 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 596' ' ' TYR . . . . . . . . . . . . . 98.3 m-85 -129.04 148.24 50.98 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 112.411 0.523 . . . . 0.65 112.411 -175.227 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 597' ' ' LYS . . . . . . . . . . . . . 9.2 mptt -108.81 -8.72 15.28 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.326 -0.852 . . . . 2.18 111.574 176.456 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 598' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -142.85 150.47 39.94 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.135 0.493 . . . . 0.95 111.258 -177.752 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 599' ' ' LEU . . . . . 0.652 HD21 HG13 ' A' ' 521' ' ' VAL . 81.6 mt -115.34 123.65 49.26 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.288 -0.869 . . . . 0.45 110.683 176.584 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 600' ' ' GLN . . . . . . . . . . . . . 22.6 tt0 -113.87 121.98 45.64 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.305 -0.407 . . . . 1.52 110.459 179.468 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 601' ' ' LEU . . . . . 0.45 ' HG ' ' ND2' ' A' ' 549' ' ' ASN . 80.5 mt -72.46 100.64 2.75 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.864 0.364 . . . . 0.46 111.188 178.954 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 602' ' ' LYS . . . . . . . . . . . . . 94.3 mttt -83.01 -14.91 53.08 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.489 0.661 . . . . 1.73 109.474 171.352 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 603' ' ' LYS . . . . . . . . . . . . . 34.9 mmtp -123.15 135.18 25.66 Favored Pre-proline 0 C--N 1.322 -0.615 0 CA-C-N 115.146 -0.933 . . . . 1.69 108.793 175.446 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 604' ' ' PRO . . . . . . . . . . . . . 21.6 Cg_endo -61.42 158.5 35.76 Favored 'Trans proline' 0 C--O 1.236 0.396 0 C-N-CA 122.564 2.176 . . . . 1.21 112.537 -177.724 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 605' ' ' GLY . . . . . . . . . . . . . . . -122.75 143.2 15.17 Favored Glycine 0 N--CA 1.438 -1.179 0 C-N-CA 120.91 -0.662 . . . . 1.23 111.532 -176.939 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 606' ' ' LYS . . . . . . . . . . . . . 33.7 mmtp -81.19 165.59 21.38 Favored 'General case' 0 C--N 1.314 -0.947 0 N-CA-C 108.947 -0.76 . . . . 3.47 108.947 178.292 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 607' ' ' ASN . . . . . . . . . . . . . 28.0 t-20 -57.98 120.22 8.15 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.258 0.552 . . . . 1.33 110.752 175.623 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 608' ' ' VAL . . . . . 0.589 HG11 ' HB ' ' A' ' 547' ' ' VAL . 72.5 t -86.45 -20.35 7.86 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-N 115.498 -0.773 . . . . 0.3 111.002 -176.204 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 609' ' ' ALA . . . . . . . . . . . . . . . -61.35 -32.56 72.46 Favored 'General case' 0 C--O 1.238 0.491 0 CA-C-O 121.333 0.587 . . . . 0.44 111.097 177.396 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 610' ' ' ALA . . . . . . . . . . . . . . . -64.96 -27.59 68.94 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.968 -0.56 . . . . 0.4 110.204 177.217 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 611' ' ' ILE . . . . . 0.439 ' O ' HG13 ' A' ' 615' ' ' ILE . 76.0 mt -71.54 -30.47 39.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-N 115.798 -0.637 . . . . 0.25 110.107 178.401 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 612' ' ' ILE . . . . . 0.508 ' CG1' HD13 ' A' ' 542' ' ' LEU . 61.4 mt -60.47 -43.71 94.81 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.247 0 N-CA-C 109.55 -0.537 . . . . 0.31 109.55 171.993 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 613' ' ' GLN . . . . . . . . . . . . . 72.7 mt-30 -62.62 -33.9 75.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.559 -0.746 . . . . 2.31 110.158 177.465 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 614' ' ' ASP . . . . . . . . . . . . . 23.4 t70 -65.97 -44.8 83.88 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.234 -0.894 . . . . 1.95 110.607 179.374 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 615' ' ' ILE . . . . . 0.535 HD11 ' HA ' ' A' ' 539' ' ' ASN . 83.9 mt -62.1 -47.41 93.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 115.881 -0.6 . . . . 0.35 110.768 -179.989 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 616' ' ' HIS . . . . . . . . . . . . . 30.9 m80 -63.47 -31.42 72.57 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.008 -0.542 . . . . 1.26 111.214 -179.452 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 617' ' ' SER . . . . . . . . . . . . . 64.2 m -75.11 -26.23 59.09 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.659 -0.246 . . . . 1.18 110.658 176.038 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 618' ' ' GLN . . . . . 0.444 ' C ' ' HD2' ' A' ' 619' ' ' ARG . 85.6 mm-40 68.92 -68.77 0.17 Allowed 'General case' 0 N--CA 1.467 0.416 0 C-N-CA 123.61 0.764 . . . . 4.68 110.465 -175.427 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 619' ' ' ARG . . . . . 0.444 ' HD2' ' C ' ' A' ' 618' ' ' GLN . 7.4 mpt_? -123.98 145.64 49.04 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 109.176 -0.676 . . . . 7.77 109.176 175.029 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 620' ' ' GLU . . . . . . . . . . . . . 29.9 tt0 62.21 78.29 0.3 Allowed 'General case' 0 C--N 1.327 -0.397 0 O-C-N 123.757 0.661 . . . . 7.92 110.759 179.365 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 621' ' ' ARG . . . . . 0.407 ' OXT' ' HG3' ' A' ' 621' ' ' ARG . 10.2 ptp180 . . . . . 0 C--O 1.249 1.028 0 CA-C-O 118.504 -0.76 . . . . 11.0 110.419 178.023 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 520' ' ' ARG . . . . . . . . . . . . . 13.3 mtm-85 . . . . . 0 N--CA 1.453 -0.287 0 CA-C-O 121.005 0.431 . . . . 2.22 110.44 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 521' ' ' VAL . . . . . 0.694 HG13 HD21 ' A' ' 599' ' ' LEU . 94.8 t -116.77 121.01 66.75 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.703 0 CA-C-N 115.913 -0.585 . . . . 0.32 110.038 167.731 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 522' ' ' VAL . . . . . 0.617 ' HB ' ' O ' ' A' ' 561' ' ' LEU . 28.3 t -120.3 121.32 65.37 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.882 0 N-CA-C 107.639 -1.245 . . . . 0.22 107.639 175.457 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 523' ' ' HIS . . . . . . . . . . . . . 45.1 t-80 -105.57 130.44 53.62 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-O 121.176 0.512 . . . . 0.44 110.651 -172.65 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 524' ' ' ILE . . . . . 0.417 HG12 HG12 ' A' ' 590' ' ' ILE . 27.5 mt -111.23 142.43 23.66 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.882 0 N-CA-C 108.223 -1.029 . . . . 0.19 108.223 176.759 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 525' ' ' CYS . . . . . 0.475 ' O ' ' HB2' ' A' ' 526' ' ' ASN . 1.3 p -143.29 166.05 25.79 Favored 'General case' 0 C--N 1.313 -1.004 0 C-N-CA 120.325 -0.55 . . . . 1.17 111.526 -176.748 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 526' ' ' ASN . . . . . 0.475 ' HB2' ' O ' ' A' ' 525' ' ' CYS . 86.5 m-20 87.38 27.32 0.04 OUTLIER 'General case' 0 N--CA 1.467 0.385 0 O-C-N 125.154 1.533 . . . . 0.26 110.042 179.135 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 527' ' ' LEU . . . . . 0.444 ' HA ' ' HD3' ' A' ' 528' ' ' PRO . 80.5 mt -92.22 123.27 63.0 Favored Pre-proline 0 C--N 1.327 -0.412 0 CA-C-N 115.247 -0.888 . . . . 0.25 109.027 177.206 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 528' ' ' PRO . . . . . 0.444 ' HD3' ' HA ' ' A' ' 527' ' ' LEU . 3.2 Cg_exo -74.19 135.25 20.44 Favored 'Trans proline' 0 N--CA 1.46 -0.499 0 C-N-CA 121.829 1.686 . . . . 0.38 111.973 -177.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 529' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -64.34 129.31 39.44 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 109.37 -0.604 . . . . 1.6 109.37 174.619 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 530' ' ' GLY . . . . . . . . . . . . . . . 93.65 4.29 63.89 Favored Glycine 0 N--CA 1.445 -0.763 0 C-N-CA 120.211 -0.995 . . . . 0.48 110.639 -171.888 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 531' ' ' SER . . . . . . . . . . . . . 48.0 m -149.19 7.65 0.7 Allowed 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.23 -0.485 . . . . 1.08 110.223 -179.119 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 532' ' ' CYS . . . . . 0.537 ' HB2' ' HD2' ' A' ' 554' ' ' LYS . 66.8 m -89.27 86.54 6.86 Favored 'General case' 0 CA--C 1.515 -0.375 0 N-CA-C 108.789 -0.819 . . . . 0.25 108.789 177.254 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 533' ' ' THR . . . . . 0.525 ' O ' HG23 ' A' ' 537' ' ' VAL . 72.4 p -98.03 147.45 24.51 Favored 'General case' 0 N--CA 1.442 -0.851 0 C-N-CA 119.999 -0.68 . . . . 0.35 109.787 -178.066 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 534' ' ' GLU . . . . . 0.665 ' HA ' HD11 ' A' ' 552' ' ' LEU . 35.2 mt-10 -68.55 -36.15 78.41 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.55 0.69 . . . . 1.64 110.279 -177.207 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 535' ' ' ASN . . . . . . . . . . . . . 4.7 t-20 -66.0 -46.73 76.92 Favored 'General case' 0 C--O 1.216 -0.68 0 CA-C-N 114.602 -1.181 . . . . 1.82 110.833 -175.376 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 536' ' ' ASP . . . . . 0.44 ' HA ' ' OD1' ' A' ' 539' ' ' ASN . 1.3 m-20 -71.31 -41.79 69.44 Favored 'General case' 0 N--CA 1.474 0.75 0 CA-C-O 121.112 0.482 . . . . 0.61 111.893 -172.137 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 537' ' ' VAL . . . . . 0.525 HG23 ' O ' ' A' ' 533' ' ' THR . 45.8 t -58.97 -46.52 91.49 Favored 'Isoleucine or valine' 0 C--O 1.242 0.686 0 CA-C-O 122.267 1.032 . . . . 0.15 109.335 178.344 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 538' ' ' ILE . . . . . 0.641 HD11 ' CG ' ' A' ' 550' ' ' TYR . 27.6 mt -67.85 -32.37 56.18 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.789 0 CA-C-N 114.914 -1.039 . . . . 0.23 111.398 174.592 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 539' ' ' ASN . . . . . 0.484 ' HA ' HD11 ' A' ' 615' ' ' ILE . 11.1 m120 -57.69 -28.21 63.6 Favored 'General case' 0 CA--C 1.513 -0.474 0 N-CA-C 110.427 -0.212 . . . . 0.25 110.427 177.422 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 540' ' ' LEU . . . . . 0.454 HD11 HD12 ' A' ' 588' ' ' LEU . 83.4 mt -75.79 -42.64 49.51 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 109.613 -0.514 . . . . 0.27 109.613 173.91 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 541' ' ' GLY . . . . . 0.442 ' CA ' HD21 ' A' ' 561' ' ' LEU . . . -64.44 -52.75 40.7 Favored Glycine 0 CA--C 1.525 0.709 0 N-CA-C 115.714 1.046 . . . . 0.19 115.714 -178.678 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 542' ' ' LEU . . . . . 0.507 ' HA ' ' O ' ' A' ' 545' ' ' GLY . 42.5 mt -57.63 -46.15 99.78 Favored Pre-proline 0 C--N 1.32 -0.68 0 N-CA-C 115.056 1.502 . . . . 0.2 115.056 -168.386 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 543' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_exo -60.1 -26.12 81.64 Favored 'Trans proline' 0 C--N 1.347 0.459 0 C-N-CA 122.059 1.84 . . . . 0.23 113.603 -177.592 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 544' ' ' PHE . . . . . 0.456 ' HB2' ' HE2' ' A' ' 572' ' ' MET . 94.0 m-85 -98.6 -14.78 19.74 Favored 'General case' 0 C--N 1.331 -0.221 0 O-C-N 121.848 -0.533 . . . . 0.33 111.145 177.682 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 545' ' ' GLY . . . . . 0.507 ' O ' ' HA ' ' A' ' 542' ' ' LEU . . . 176.27 152.71 9.86 Favored Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.893 -0.67 . . . . 0.44 111.973 179.744 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 546' ' ' LYS . . . . . . . . . . . . . 7.0 ttpm? -66.31 129.34 39.51 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.024 0.44 . . . . 2.07 111.0 -178.113 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 547' ' ' VAL . . . . . 0.625 HG21 HG23 ' A' ' 538' ' ' ILE . 69.0 t -86.35 116.24 28.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 115.744 -0.662 . . . . 0.2 110.897 179.631 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 548' ' ' THR . . . . . . . . . . . . . 23.5 p -92.83 -36.18 12.99 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.992 -0.549 . . . . 0.31 111.725 179.742 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 549' ' ' ASN . . . . . 0.517 ' HB2' ' CB ' ' A' ' 562' ' ' GLU . 19.6 m120 -143.33 156.19 44.64 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.142 -0.481 . . . . 1.26 110.259 -178.25 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 550' ' ' TYR . . . . . 0.641 ' CG ' HD11 ' A' ' 538' ' ' ILE . 3.3 p90 -161.31 150.59 16.49 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 116.11 -0.496 . . . . 0.31 109.816 178.553 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 551' ' ' ILE . . . . . 0.453 ' HB ' ' HB2' ' A' ' 560' ' ' PHE . 48.0 mt -144.42 123.3 6.68 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 N-CA-C 108.261 -1.015 . . . . 0.22 108.261 -175.778 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 552' ' ' LEU . . . . . 0.665 HD11 ' HA ' ' A' ' 534' ' ' GLU . 30.4 mt -108.78 120.45 42.52 Favored 'General case' 0 C--N 1.315 -0.892 0 C-N-CA 119.72 -0.792 . . . . 0.43 110.314 -179.038 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 553' ' ' MET . . . . . . . . . . . . . 64.4 mtm -108.16 82.81 1.69 Allowed 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 108.545 -0.909 . . . . 1.03 108.545 -179.115 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 554' ' ' LYS . . . . . 0.537 ' HD2' ' HB2' ' A' ' 532' ' ' CYS . 11.7 mmtm -53.35 -27.9 26.07 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 114.367 -1.288 . . . . 1.03 112.122 176.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 555' ' ' SER . . . . . . . . . . . . . 65.3 p -69.59 -42.6 74.22 Favored 'General case' 0 N--CA 1.448 -0.526 0 CA-C-O 120.684 0.278 . . . . 0.51 111.518 -174.311 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 556' ' ' THR . . . . . 0.429 ' O ' ' HG3' ' A' ' 558' ' ' GLN . 40.7 p -99.23 5.63 46.61 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 112.535 0.568 . . . . 0.45 112.535 -177.419 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 557' ' ' ASN . . . . . . . . . . . . . 38.1 m-80 59.24 39.12 23.04 Favored 'General case' 0 N--CA 1.471 0.581 0 CA-C-O 121.778 0.799 . . . . 1.28 110.217 -177.411 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 558' ' ' GLN . . . . . 0.429 ' HG3' ' O ' ' A' ' 556' ' ' THR . 76.7 mt-30 -141.21 166.61 24.3 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.033 -0.985 . . . . 0.84 109.873 -175.118 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 559' ' ' ALA . . . . . 0.438 ' HB1' HD23 ' A' ' 552' ' ' LEU . . . -157.39 165.82 34.73 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.351 0.596 . . . . 0.16 111.87 -178.5 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 560' ' ' PHE . . . . . 0.453 ' HB2' ' HB ' ' A' ' 551' ' ' ILE . 90.2 m-85 -120.68 143.76 48.55 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 115.445 -0.798 . . . . 0.35 110.422 176.286 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 561' ' ' LEU . . . . . 0.617 ' O ' ' HB ' ' A' ' 522' ' ' VAL . 64.5 tp -134.52 118.13 16.96 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.052 -0.522 . . . . 0.2 109.913 179.18 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 562' ' ' GLU . . . . . 0.517 ' CB ' ' HB2' ' A' ' 549' ' ' ASN . 0.2 OUTLIER -102.74 136.52 42.42 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.804 -0.635 . . . . 2.09 110.02 179.345 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 563' ' ' MET . . . . . 0.623 ' SD ' ' HA ' ' A' ' 569' ' ' ALA . 31.7 mtt -122.32 163.93 18.82 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 115.525 -0.761 . . . . 0.39 109.839 -169.759 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 564' ' ' ALA . . . . . . . . . . . . . . . -68.23 -41.08 81.77 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.0 0.429 . . . . 0.5 111.368 -173.351 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 565' ' ' TYR . . . . . . . . . . . . . 97.5 m-85 -132.49 146.95 52.32 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.994 -0.548 . . . . 1.15 110.659 -179.009 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 566' ' ' THR . . . . . . . . . . . . . 14.0 t -58.36 -27.38 64.15 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.188 -0.914 . . . . 0.57 111.13 -179.708 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 567' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -59.68 -31.84 69.94 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.031 -0.531 . . . . 0.89 111.367 177.438 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 568' ' ' ALA . . . . . 0.647 ' O ' ' HG3' ' A' ' 572' ' ' MET . . . -73.23 -37.65 66.3 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 109.792 -0.448 . . . . 0.26 109.792 -179.251 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 569' ' ' ALA . . . . . 0.623 ' HA ' ' SD ' ' A' ' 563' ' ' MET . . . -64.06 -45.34 89.19 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.602 -0.727 . . . . 0.24 110.821 -177.333 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 570' ' ' GLN . . . . . 0.609 ' O ' ' HG2' ' A' ' 574' ' ' GLN . 12.2 pt20 -68.91 -38.31 79.51 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.747 -0.661 . . . . 1.24 110.307 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 571' ' ' ALA . . . . . . . . . . . . . . . -62.53 -43.63 98.33 Favored 'General case' 0 N--CA 1.454 -0.229 0 CA-C-N 116.251 -0.431 . . . . 0.31 111.239 -178.389 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 572' ' ' MET . . . . . 0.647 ' HG3' ' O ' ' A' ' 568' ' ' ALA . 36.1 mtt -65.79 -44.29 86.19 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.495 -0.321 . . . . 0.47 110.343 179.569 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 573' ' ' VAL . . . . . 0.618 ' O ' ' HG3' ' A' ' 577' ' ' GLN . 92.8 t -58.9 -46.77 91.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.515 -0.312 . . . . 0.34 110.233 179.244 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 574' ' ' GLN . . . . . 0.609 ' HG2' ' O ' ' A' ' 570' ' ' GLN . 28.8 mm-40 -61.33 -38.48 87.04 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.344 -0.389 . . . . 2.09 110.758 -179.745 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 575' ' ' TYR . . . . . . . . . . . . . 87.0 t80 -68.91 -52.77 25.87 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.967 -0.56 . . . . 0.48 110.869 -178.453 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 576' ' ' TYR . . . . . 0.553 ' HA ' ' O ' ' A' ' 579' ' ' LYS . 58.7 m-85 -71.86 -13.31 61.63 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 112.725 0.639 . . . . 0.36 112.725 -176.355 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 577' ' ' GLN . . . . . 0.618 ' HG3' ' O ' ' A' ' 573' ' ' VAL . 92.4 mt-30 -67.31 -42.7 83.22 Favored 'General case' 0 C--N 1.326 -0.44 0 C-N-CA 120.458 -0.497 . . . . 1.89 109.995 171.822 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 578' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -91.54 -38.63 12.39 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.125 -0.488 . . . . 2.14 111.229 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 579' ' ' LYS . . . . . 0.553 ' O ' ' HA ' ' A' ' 576' ' ' TYR . 29.9 mtpp -127.84 91.72 44.35 Favored Pre-proline 0 C--N 1.327 -0.379 0 N-CA-C 109.883 -0.414 . . . . 2.46 109.883 175.666 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 580' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.49 160.63 49.05 Favored 'Trans proline' 0 C--O 1.234 0.311 0 C-N-CA 122.717 2.278 . . . . 0.37 112.694 -177.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 581' ' ' ALA . . . . . 0.455 ' HB2' ' CE1' ' A' ' 576' ' ' TYR . . . -91.76 127.95 37.41 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 109.028 -0.73 . . . . 0.27 109.028 175.92 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 582' ' ' ILE . . . . . . . . . . . . . 54.8 mt -101.46 121.69 52.68 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.814 0 CA-C-O 120.971 0.415 . . . . 0.51 111.226 -173.862 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 583' ' ' ILE . . . . . 0.407 HG13 HD11 ' A' ' 588' ' ' LEU . 33.2 mm -126.77 116.61 45.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 115.644 -0.707 . . . . 0.51 109.1 176.034 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 584' ' ' ASN . . . . . . . . . . . . . 3.3 m-20 59.15 32.6 22.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.309 0.576 . . . . 1.1 110.246 -179.115 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 585' ' ' GLY . . . . . . . . . . . . . . . 78.91 5.95 88.74 Favored Glycine 0 N--CA 1.445 -0.723 0 CA-C-N 115.629 -0.714 . . . . 0.44 112.975 179.076 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 586' ' ' GLU . . . . . . . . . . . . . 27.1 mt-10 -108.21 127.3 53.71 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 122.533 -0.392 . . . . 1.79 110.47 178.623 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 587' ' ' LYS . . . . . . . . . . . . . 38.1 mmtm -71.42 123.52 22.54 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.598 -0.728 . . . . 1.67 110.615 179.326 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 588' ' ' LEU . . . . . 0.454 HD12 HD11 ' A' ' 540' ' ' LEU . 61.5 mt -79.29 138.27 37.68 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 120.878 0.37 . . . . 0.24 110.787 177.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 589' ' ' LEU . . . . . 0.404 ' HB3' ' SG ' ' A' ' 525' ' ' CYS . 49.7 tp -112.58 112.53 24.13 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.858 -0.61 . . . . 0.38 110.267 177.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 590' ' ' ILE . . . . . 0.45 HD12 ' CD2' ' A' ' 576' ' ' TYR . 17.3 mt -100.11 129.1 51.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 N-CA-C 109.811 -0.44 . . . . 0.26 109.811 175.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 591' ' ' ARG . . . . . . . . . . . . . 12.9 mmm180 -147.02 159.03 44.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.37 -0.377 . . . . 2.62 110.655 -175.792 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 592' ' ' MET . . . . . . . . . . . . . 63.2 mtt -82.34 128.41 34.19 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 109.213 -0.662 . . . . 0.34 109.213 175.217 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 593' ' ' SER . . . . . . . . . . . . . 46.7 t -69.63 135.74 50.31 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.412 0.625 . . . . 1.37 111.365 -176.472 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 594' ' ' THR . . . . . . . . . . . . . 19.0 p -89.95 -12.66 38.12 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 114.814 -1.085 . . . . 0.38 111.567 -178.832 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 595' ' ' ARG . . . . . . . . . . . . . 95.3 mtt180 -103.43 -30.77 10.36 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 112.626 0.602 . . . . 2.75 112.626 -172.031 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 596' ' ' TYR . . . . . . . . . . . . . 86.2 m-85 -122.89 151.05 42.12 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.194 0.521 . . . . 0.65 111.967 -174.733 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 597' ' ' LYS . . . . . 0.568 ' N ' ' HD2' ' A' ' 597' ' ' LYS . 6.1 mptt -108.05 -24.13 11.71 Favored 'General case' 0 C--O 1.219 -0.514 0 CA-C-N 115.373 -0.83 . . . . 2.18 111.534 -177.366 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 598' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -141.9 150.84 42.04 Favored 'General case' 0 C--N 1.326 -0.444 0 C-N-CA 120.513 -0.475 . . . . 0.95 111.423 -177.024 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 599' ' ' LEU . . . . . 0.694 HD21 HG13 ' A' ' 521' ' ' VAL . 84.9 mt -108.89 125.69 52.27 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.247 -0.888 . . . . 0.45 110.852 176.597 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 600' ' ' GLN . . . . . . . . . . . . . 30.2 tt0 -114.58 125.29 53.61 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.959 -0.564 . . . . 1.52 109.933 177.624 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 601' ' ' LEU . . . . . . . . . . . . . 50.9 mt -75.37 98.61 3.9 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.147 0.498 . . . . 0.46 111.341 -177.843 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 602' ' ' LYS . . . . . . . . . . . . . 95.0 mttt -79.84 -23.72 41.81 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.605 0.717 . . . . 1.73 109.251 173.364 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 603' ' ' LYS . . . . . . . . . . . . . 34.1 mmtp . . . . . 0 C--N 1.324 -0.521 0 CA-C-N 114.95 -1.023 . . . . 1.69 109.123 176.379 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 607' ' ' ASN . . . . . . . . . . . . . 35.2 t30 . . . . . 0 C--O 1.232 0.165 0 CA-C-O 121.121 0.486 . . . . 1.33 111.053 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 608' ' ' VAL . . . . . 0.552 HG11 ' HB ' ' A' ' 547' ' ' VAL . 93.5 t -77.42 -26.76 15.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 115.688 -0.687 . . . . 0.3 111.406 -176.929 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 609' ' ' ALA . . . . . . . . . . . . . . . -62.83 -35.19 79.11 Favored 'General case' 0 C--O 1.239 0.52 0 CA-C-O 121.586 0.708 . . . . 0.44 110.761 176.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 610' ' ' ALA . . . . . . . . . . . . . . . -64.48 -27.56 69.06 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.515 -0.766 . . . . 0.4 110.028 177.229 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 611' ' ' ILE . . . . . 0.481 ' CD1' HD12 ' A' ' 538' ' ' ILE . 71.4 mt -70.63 -30.29 41.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 115.674 -0.694 . . . . 0.25 109.655 178.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 612' ' ' ILE . . . . . 0.506 ' CG1' HD13 ' A' ' 542' ' ' LEU . 60.6 mt -60.84 -43.45 95.57 Favored 'Isoleucine or valine' 0 C--O 1.234 0.251 0 N-CA-C 109.636 -0.505 . . . . 0.31 109.636 172.379 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 613' ' ' GLN . . . . . . . . . . . . . 80.7 mm-40 -63.21 -33.26 75.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.696 -0.684 . . . . 2.31 110.357 176.413 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 614' ' ' ASP . . . . . . . . . . . . . 21.1 m-20 -65.64 -41.87 92.11 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.788 -0.642 . . . . 1.95 110.817 177.408 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 615' ' ' ILE . . . . . 0.484 HD11 ' HA ' ' A' ' 539' ' ' ASN . 85.0 mt -63.34 -46.5 95.34 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-O 120.989 0.424 . . . . 0.35 110.563 178.667 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 616' ' ' HIS . . . . . . . . . . . . . 13.6 m-70 -63.29 -33.21 75.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.812 -0.631 . . . . 1.26 110.83 178.183 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 617' ' ' SER . . . . . . . . . . . . . 69.0 m . . . . . 0 N--CA 1.451 -0.38 0 CA-C-N 116.304 -0.407 . . . . 1.18 110.707 178.53 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 520' ' ' ARG . . . . . . . . . . . . . 32.3 mtm-85 . . . . . 0 N--CA 1.449 -0.49 0 CA-C-O 120.773 0.321 . . . . 2.22 110.323 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 521' ' ' VAL . . . . . 0.697 ' HB ' ' OG ' ' A' ' 593' ' ' SER . 62.2 t -118.41 124.55 73.3 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.664 0 CA-C-N 116.076 -0.511 . . . . 0.32 110.404 170.185 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 522' ' ' VAL . . . . . 0.599 ' HB ' ' O ' ' A' ' 561' ' ' LEU . 23.2 t -120.83 121.7 65.88 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.777 0 N-CA-C 107.538 -1.282 . . . . 0.22 107.538 170.938 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 523' ' ' HIS . . . . . . . . . . . . . 51.4 t-80 -105.89 133.69 50.21 Favored 'General case' 0 C--N 1.323 -0.584 0 O-C-N 121.791 -0.568 . . . . 0.44 110.87 -172.904 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 524' ' ' ILE . . . . . 0.451 HG23 HG12 ' A' ' 590' ' ' ILE . 32.6 mt -111.16 140.04 32.29 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.754 0 N-CA-C 108.738 -0.838 . . . . 0.19 108.738 177.906 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 525' ' ' CYS . . . . . 0.455 ' SG ' ' HG2' ' A' ' 558' ' ' GLN . 38.1 t -134.25 161.24 35.48 Favored 'General case' 0 C--N 1.314 -0.948 0 C-N-CA 120.811 -0.356 . . . . 1.17 111.185 -174.768 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 526' ' ' ASN . . . . . 0.404 ' HB2' ' O ' ' A' ' 525' ' ' CYS . 80.2 m-20 84.64 28.9 0.06 Allowed 'General case' 0 N--CA 1.468 0.454 0 O-C-N 124.663 1.227 . . . . 0.26 111.228 172.042 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 527' ' ' LEU . . . . . 0.449 ' O ' ' HB3' ' A' ' 557' ' ' ASN . 83.9 mt -81.66 125.44 78.22 Favored Pre-proline 0 C--N 1.324 -0.537 0 N-CA-C 108.638 -0.875 . . . . 0.25 108.638 178.461 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 528' ' ' PRO . . . . . . . . . . . . . 9.5 Cg_exo -69.05 135.42 32.11 Favored 'Trans proline' 0 N--CA 1.458 -0.594 0 C-N-CA 121.4 1.4 . . . . 0.38 111.547 -178.717 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 529' ' ' GLU . . . . . 0.431 ' HB2' ' OD1' ' A' ' 557' ' ' ASN . 33.2 tt0 -65.37 136.18 56.21 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 109.378 -0.601 . . . . 1.6 109.378 176.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 530' ' ' GLY . . . . . . . . . . . . . . . 84.71 4.47 87.4 Favored Glycine 0 N--CA 1.446 -0.651 0 C-N-CA 119.919 -1.134 . . . . 0.48 110.933 -172.796 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 531' ' ' SER . . . . . . . . . . . . . 19.5 m -142.08 4.07 1.62 Allowed 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.425 0.631 . . . . 1.08 109.684 -175.814 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 532' ' ' CYS . . . . . . . . . . . . . 85.3 m -89.19 86.9 6.97 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.683 -0.689 . . . . 0.25 109.466 -178.577 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 533' ' ' THR . . . . . 0.47 ' O ' HG23 ' A' ' 537' ' ' VAL . 26.8 p -107.67 152.96 23.61 Favored 'General case' 0 C--N 1.319 -0.757 0 N-CA-C 108.875 -0.787 . . . . 0.35 108.875 179.892 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 534' ' ' GLU . . . . . 0.681 ' HA ' HD11 ' A' ' 552' ' ' LEU . 12.2 mp0 -64.61 -32.82 74.65 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-O 121.228 0.537 . . . . 1.64 109.73 178.926 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 535' ' ' ASN . . . . . . . . . . . . . 10.6 m120 -62.92 -48.1 80.41 Favored 'General case' 0 C--O 1.218 -0.575 0 CA-C-N 115.275 -0.875 . . . . 1.82 111.657 -179.508 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 536' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -67.2 -45.94 75.38 Favored 'General case' 0 N--CA 1.47 0.57 0 CA-C-O 121.744 0.783 . . . . 0.61 110.89 -172.72 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 537' ' ' VAL . . . . . 0.47 HG23 ' O ' ' A' ' 533' ' ' THR . 27.9 t -62.23 -49.03 85.67 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.753 0 CA-C-N 114.459 -1.246 . . . . 0.15 110.428 -176.467 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 538' ' ' ILE . . . . . 0.645 HD11 ' CG ' ' A' ' 550' ' ' TYR . 58.7 mt -68.92 -34.36 63.87 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.745 0 CA-C-N 115.607 -0.724 . . . . 0.23 111.56 177.219 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 539' ' ' ASN . . . . . 0.574 ' HA ' HD11 ' A' ' 615' ' ' ILE . 9.2 m120 -59.12 -25.45 63.86 Favored 'General case' 0 CA--C 1.516 -0.346 0 C-N-CA 120.958 -0.297 . . . . 0.25 110.486 176.91 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 540' ' ' LEU . . . . . 0.554 HD11 HD12 ' A' ' 588' ' ' LEU . 95.3 mt -75.13 -41.5 58.26 Favored 'General case' 0 C--N 1.322 -0.616 0 C-N-CA 120.645 -0.422 . . . . 0.27 110.061 172.824 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 541' ' ' GLY . . . . . 0.52 ' HA3' HD21 ' A' ' 561' ' ' LEU . . . -66.48 -51.51 41.95 Favored Glycine 0 CA--C 1.525 0.691 0 N-CA-C 115.62 1.008 . . . . 0.19 115.62 -179.349 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 542' ' ' LEU . . . . . 0.516 ' HA ' ' O ' ' A' ' 545' ' ' GLY . 75.6 mt -59.57 -43.17 95.24 Favored Pre-proline 0 C--N 1.319 -0.725 0 N-CA-C 115.303 1.594 . . . . 0.2 115.303 -168.243 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 543' ' ' PRO . . . . . 0.471 ' HG3' HD13 ' A' ' 615' ' ' ILE . 50.7 Cg_exo -60.63 -22.49 72.87 Favored 'Trans proline' 0 CA--C 1.534 0.477 0 C-N-CA 121.706 1.604 . . . . 0.23 113.638 -179.377 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 544' ' ' PHE . . . . . 0.528 ' HE2' ' HH ' ' A' ' 576' ' ' TYR . 96.7 m-85 -103.4 -15.89 15.77 Favored 'General case' 0 C--O 1.233 0.213 0 N-CA-C 112.146 0.425 . . . . 0.33 112.146 178.361 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 545' ' ' GLY . . . . . 0.516 ' O ' ' HA ' ' A' ' 542' ' ' LEU . . . -173.03 -179.5 43.76 Favored Glycine 0 C--O 1.224 -0.506 0 C-N-CA 120.353 -0.927 . . . . 0.44 112.394 -176.05 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 546' ' ' LYS . . . . . . . . . . . . . 26.6 ttpp -96.05 122.88 39.35 Favored 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 109.889 -0.412 . . . . 2.07 109.889 -177.297 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 547' ' ' VAL . . . . . 0.609 ' HB ' HG11 ' A' ' 608' ' ' VAL . 71.6 t -89.96 115.46 29.51 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 CA-C-N 116.491 -0.322 . . . . 0.2 110.78 179.348 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 548' ' ' THR . . . . . . . . . . . . . 21.1 p -95.58 -37.68 10.74 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 112.182 0.438 . . . . 0.31 112.182 178.283 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 549' ' ' ASN . . . . . 0.425 ' HB2' ' HB3' ' A' ' 562' ' ' GLU . 4.1 m-20 -141.43 158.71 43.51 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.962 -0.563 . . . . 1.26 109.785 -178.019 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 550' ' ' TYR . . . . . 0.645 ' CG ' HD11 ' A' ' 538' ' ' ILE . 3.5 p90 -161.83 152.46 17.59 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 116.02 -0.536 . . . . 0.31 109.648 -179.377 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 551' ' ' ILE . . . . . 0.462 ' HB ' ' HB2' ' A' ' 560' ' ' PHE . 41.0 mt -144.16 126.59 11.06 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 N-CA-C 107.684 -1.228 . . . . 0.22 107.684 -179.679 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 552' ' ' LEU . . . . . 0.681 HD11 ' HA ' ' A' ' 534' ' ' GLU . 21.2 mt -106.68 129.06 54.64 Favored 'General case' 0 C--N 1.309 -1.186 0 C-N-CA 118.967 -1.093 . . . . 0.43 110.286 -179.623 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 553' ' ' MET . . . . . . . . . . . . . 32.1 mtp -104.4 80.14 1.66 Allowed 'General case' 0 C--N 1.32 -0.686 0 N-CA-C 108.317 -0.994 . . . . 1.03 108.317 -178.446 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 554' ' ' LYS . . . . . . . . . . . . . 24.2 mmtp -54.27 -28.68 43.43 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 114.939 -1.028 . . . . 1.03 112.866 176.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 555' ' ' SER . . . . . . . . . . . . . 62.7 p -69.59 -44.62 70.41 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 111.964 0.357 . . . . 0.51 111.964 -175.183 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 556' ' ' THR . . . . . . . . . . . . . 45.3 p -102.54 7.9 40.0 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 112.548 0.573 . . . . 0.45 112.548 -174.294 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 557' ' ' ASN . . . . . 0.449 ' HB3' ' O ' ' A' ' 527' ' ' LEU . 87.0 m-20 58.96 39.84 23.15 Favored 'General case' 0 N--CA 1.467 0.419 0 CA-C-O 121.721 0.772 . . . . 1.28 110.432 -177.311 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 558' ' ' GLN . . . . . 0.455 ' HG2' ' SG ' ' A' ' 525' ' ' CYS . 79.2 mt-30 -137.99 169.56 17.57 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 114.924 -1.035 . . . . 0.84 109.567 -176.498 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 559' ' ' ALA . . . . . . . . . . . . . . . -158.62 166.75 31.32 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.49 0.662 . . . . 0.16 112.751 179.339 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 560' ' ' PHE . . . . . 0.462 ' HB2' ' HB ' ' A' ' 551' ' ' ILE . 94.9 m-85 -118.47 142.62 47.39 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.202 -0.908 . . . . 0.35 110.223 175.599 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 561' ' ' LEU . . . . . 0.599 ' O ' ' HB ' ' A' ' 522' ' ' VAL . 60.5 tp -134.51 119.39 18.42 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.858 -0.61 . . . . 0.2 109.801 179.746 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 562' ' ' GLU . . . . . 0.452 ' HB2' HD12 ' A' ' 599' ' ' LEU . 30.6 tt0 -99.82 122.93 43.51 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 121.427 0.632 . . . . 2.09 110.281 178.801 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 563' ' ' MET . . . . . 0.637 ' SD ' ' HA ' ' A' ' 569' ' ' ALA . 31.1 mtt -107.96 162.27 14.18 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-N 115.072 -0.967 . . . . 0.39 109.235 -178.674 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 564' ' ' ALA . . . . . . . . . . . . . . . -60.35 -44.98 95.05 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 117.999 0.363 . . . . 0.5 111.795 -172.898 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 565' ' ' TYR . . . . . . . . . . . . . 77.3 m-85 -138.37 162.94 33.13 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.313 -0.403 . . . . 1.15 111.524 -175.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 566' ' ' THR . . . . . . . . . . . . . 13.4 t -60.97 -28.17 68.8 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.729 -0.669 . . . . 0.57 110.612 -179.512 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 567' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -61.89 -32.99 73.41 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.812 -0.631 . . . . 0.89 111.22 -179.749 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 568' ' ' ALA . . . . . 0.67 ' O ' ' HG3' ' A' ' 572' ' ' MET . . . -73.66 -41.73 62.31 Favored 'General case' 0 N--CA 1.45 -0.448 0 N-CA-C 109.495 -0.558 . . . . 0.26 109.495 179.412 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 569' ' ' ALA . . . . . 0.637 ' HA ' ' SD ' ' A' ' 563' ' ' MET . . . -65.1 -45.13 86.43 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.318 -0.856 . . . . 0.24 111.378 -176.199 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 570' ' ' GLN . . . . . 0.411 ' O ' ' HG3' ' A' ' 574' ' ' GLN . 20.5 pt20 -68.01 -37.07 80.99 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.307 -0.406 . . . . 1.24 110.382 -178.363 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 571' ' ' ALA . . . . . . . . . . . . . . . -62.3 -44.93 95.39 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.203 -0.453 . . . . 0.31 110.802 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 572' ' ' MET . . . . . 0.67 ' HG3' ' O ' ' A' ' 568' ' ' ALA . 28.0 mtt -68.99 -40.66 78.64 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.07 -0.514 . . . . 0.47 110.537 -178.48 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 573' ' ' VAL . . . . . 0.545 HG23 ' O ' ' A' ' 569' ' ' ALA . 91.4 t -59.77 -46.46 93.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.902 0.382 . . . . 0.34 110.079 177.302 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 574' ' ' GLN . . . . . 0.411 ' HG3' ' O ' ' A' ' 570' ' ' GLN . 28.6 mt-30 -61.19 -38.37 86.28 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.193 -0.458 . . . . 2.09 110.859 178.888 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 575' ' ' TYR . . . . . . . . . . . . . 71.6 t80 -70.5 -53.96 14.16 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.086 -0.506 . . . . 0.48 110.993 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 576' ' ' TYR . . . . . 0.528 ' HH ' ' HE2' ' A' ' 544' ' ' PHE . 80.0 m-85 -74.75 -14.17 60.68 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 113.246 0.832 . . . . 0.36 113.246 -172.774 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 577' ' ' GLN . . . . . 0.476 ' HG3' ' O ' ' A' ' 573' ' ' VAL . 25.3 mt-30 -74.36 -40.61 62.02 Favored 'General case' 0 C--N 1.323 -0.568 0 C-N-CA 120.077 -0.649 . . . . 1.89 109.889 173.326 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 578' ' ' GLU . . . . . . . . . . . . . 8.3 mm-40 -86.39 -37.55 18.28 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.147 -0.479 . . . . 2.14 110.949 178.872 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 579' ' ' LYS . . . . . 0.461 ' O ' ' HA ' ' A' ' 576' ' ' TYR . 9.5 mtpm? -128.55 87.1 55.95 Favored Pre-proline 0 C--N 1.326 -0.445 0 N-CA-C 109.955 -0.387 . . . . 2.46 109.955 175.483 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 580' ' ' PRO . . . . . . . . . . . . . 32.8 Cg_endo -64.09 160.2 39.19 Favored 'Trans proline' 0 C--O 1.233 0.273 0 C-N-CA 122.638 2.225 . . . . 0.37 112.243 -179.503 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 581' ' ' ALA . . . . . 0.463 ' HB2' ' CE1' ' A' ' 576' ' ' TYR . . . -91.4 134.69 34.41 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.194 -0.457 . . . . 0.27 110.006 -179.428 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 582' ' ' ILE . . . . . . . . . . . . . 47.0 mt -103.04 118.59 50.22 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.799 0 CA-C-O 120.842 0.353 . . . . 0.51 111.219 -175.8 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 583' ' ' ILE . . . . . 0.503 ' CG1' HD11 ' A' ' 588' ' ' LEU . 36.2 mm -125.91 112.04 29.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 N-CA-C 109.534 -0.543 . . . . 0.51 109.534 173.413 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 584' ' ' ASN . . . . . . . . . . . . . 94.8 m-20 50.58 42.6 27.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.868 0.842 . . . . 1.1 111.119 -179.885 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 585' ' ' GLY . . . . . . . . . . . . . . . 83.4 1.48 90.28 Favored Glycine 0 N--CA 1.445 -0.752 0 CA-C-N 114.628 -1.169 . . . . 0.44 114.392 175.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 586' ' ' GLU . . . . . . . . . . . . . 30.6 mm-40 -100.83 125.61 47.36 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 118.041 0.921 . . . . 1.79 111.134 177.395 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 587' ' ' LYS . . . . . . . . . . . . . 44.7 mmtm -74.55 115.21 13.83 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-N 115.538 -0.755 . . . . 1.67 110.175 171.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 588' ' ' LEU . . . . . 0.554 HD12 HD11 ' A' ' 540' ' ' LEU . 54.8 mt -83.58 141.2 31.75 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 120.812 0.339 . . . . 0.24 111.156 -178.242 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 589' ' ' LEU . . . . . . . . . . . . . 58.1 tp -112.87 112.08 23.31 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.833 -0.622 . . . . 0.38 110.901 -179.149 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 590' ' ' ILE . . . . . 0.459 HD12 ' CD2' ' A' ' 576' ' ' TYR . 17.7 mt -103.07 120.94 53.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 N-CA-C 110.015 -0.365 . . . . 0.26 110.015 175.459 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 591' ' ' ARG . . . . . . . . . . . . . 74.6 mtp180 -146.91 165.55 29.43 Favored 'General case' 0 N--CA 1.462 0.151 0 CA-C-O 120.895 0.378 . . . . 2.62 110.413 -176.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 592' ' ' MET . . . . . . . . . . . . . 53.2 mtt -82.34 151.14 26.83 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.228 -0.442 . . . . 0.34 110.699 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 593' ' ' SER . . . . . 0.697 ' OG ' ' HB ' ' A' ' 521' ' ' VAL . 58.3 p -83.52 129.73 34.98 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.856 -0.611 . . . . 1.37 111.737 -176.696 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 594' ' ' THR . . . . . . . . . . . . . 18.6 p -91.64 -17.83 24.93 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.999 -0.546 . . . . 0.38 111.875 175.388 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 595' ' ' ARG . . . . . 0.408 HH11 ' HD3' ' A' ' 595' ' ' ARG . 44.7 mtp180 -102.99 -29.99 11.06 Favored 'General case' 0 CA--C 1.533 0.298 0 N-CA-C 112.921 0.711 . . . . 2.75 112.921 -171.42 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 596' ' ' TYR . . . . . . . . . . . . . 30.3 m-85 -125.26 145.6 49.92 Favored 'General case' 0 N--CA 1.468 0.435 0 N-CA-C 112.256 0.465 . . . . 0.65 112.256 -176.662 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 597' ' ' LYS . . . . . . . . . . . . . 37.1 mmtm -109.02 -11.27 14.98 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.711 -0.677 . . . . 2.18 112.456 -179.676 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 598' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -142.26 150.26 40.66 Favored 'General case' 0 C--N 1.324 -0.512 0 C-N-CA 120.237 -0.585 . . . . 0.95 111.396 -174.093 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 599' ' ' LEU . . . . . 0.617 HD21 HG13 ' A' ' 521' ' ' VAL . 58.0 mt -115.01 121.52 43.38 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.168 -0.924 . . . . 0.45 110.625 176.549 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 600' ' ' GLN . . . . . . . . . . . . . 29.4 tt0 -111.96 123.34 50.04 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.702 -0.681 . . . . 1.52 109.713 178.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 601' ' ' LEU . . . . . . . . . . . . . 93.7 mt -76.93 92.58 3.68 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.627 -0.261 . . . . 0.46 111.416 -176.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 602' ' ' LYS . . . . . . . . . . . . . 67.2 mttm -66.18 -32.43 73.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.338 0.59 . . . . 1.73 109.502 172.762 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 603' ' ' LYS . . . . . . . . . . . . . 74.6 mmtt . . . . . 0 C--N 1.324 -0.509 0 CA-C-N 115.289 -0.869 . . . . 1.69 109.283 179.557 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 607' ' ' ASN . . . . . . . . . . . . . 25.8 t30 . . . . . 0 C--O 1.234 0.286 0 CA-C-O 120.966 0.412 . . . . 1.33 110.303 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 608' ' ' VAL . . . . . 0.609 HG11 ' HB ' ' A' ' 547' ' ' VAL . 69.3 t -86.31 -25.87 6.33 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-N 115.809 -0.632 . . . . 0.3 111.069 -176.132 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 609' ' ' ALA . . . . . . . . . . . . . . . -59.53 -33.68 71.69 Favored 'General case' 0 C--O 1.237 0.416 0 CA-C-O 121.371 0.605 . . . . 0.44 110.478 175.226 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 610' ' ' ALA . . . . . . . . . . . . . . . -65.39 -30.32 71.13 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.778 -0.646 . . . . 0.4 110.13 176.631 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 611' ' ' ILE . . . . . 0.454 ' CD1' HD12 ' A' ' 538' ' ' ILE . 76.8 mt -70.77 -29.49 38.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 115.65 -0.704 . . . . 0.25 109.801 179.416 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 612' ' ' ILE . . . . . 0.477 ' CG1' HD13 ' A' ' 542' ' ' LEU . 64.1 mt -61.02 -40.67 86.39 Favored 'Isoleucine or valine' 0 C--O 1.235 0.291 0 CA-C-O 121.279 0.561 . . . . 0.31 109.611 171.316 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 613' ' ' GLN . . . . . . . . . . . . . 23.5 mt-30 -64.08 -30.19 71.28 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.392 -0.822 . . . . 2.31 110.483 177.262 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 614' ' ' ASP . . . . . 0.453 ' HB2' ' O ' ' A' ' 611' ' ' ILE . 2.5 m-20 -64.86 -44.86 88.37 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-N 115.936 -0.575 . . . . 1.95 110.161 177.253 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 615' ' ' ILE . . . . . 0.574 HD11 ' HA ' ' A' ' 539' ' ' ASN . 81.1 mt -65.05 -43.13 95.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 115.899 -0.591 . . . . 0.35 110.323 178.538 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 616' ' ' HIS . . . . . . . . . . . . . 51.5 m170 -64.08 -37.82 88.82 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.558 -0.746 . . . . 1.26 111.392 179.805 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 617' ' ' SER . . . . . . . . . . . . . 26.1 m . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.51 -0.313 . . . . 1.18 110.498 176.424 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 520' ' ' ARG . . . . . . . . . . . . . 42.8 mtm-85 . . . . . 0 CA--C 1.515 -0.373 0 N-CA-C 109.6 -0.518 . . . . 2.22 109.6 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 521' ' ' VAL . . . . . 0.712 HG13 HD21 ' A' ' 599' ' ' LEU . 56.8 t -117.07 121.19 67.21 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.703 0 CA-C-O 120.99 0.424 . . . . 0.32 111.233 174.406 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 522' ' ' VAL . . . . . 0.501 ' HB ' ' O ' ' A' ' 561' ' ' LEU . 25.3 t -121.04 121.57 65.35 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.815 0 N-CA-C 107.942 -1.133 . . . . 0.22 107.942 175.657 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 523' ' ' HIS . . . . . 0.422 ' HB2' ' OG ' ' A' ' 593' ' ' SER . 58.9 t-80 -106.18 135.28 47.93 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.01 0.433 . . . . 0.44 110.056 -175.221 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 524' ' ' ILE . . . . . 0.46 HD11 HD22 ' A' ' 561' ' ' LEU . 33.3 mt -111.18 138.93 37.47 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.929 0 N-CA-C 108.45 -0.944 . . . . 0.19 108.45 177.713 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 525' ' ' CYS . . . . . 0.421 ' O ' ' HB2' ' A' ' 526' ' ' ASN . 0.0 OUTLIER -132.24 157.9 43.17 Favored 'General case' 0 C--N 1.318 -0.79 0 C-N-CA 120.873 -0.331 . . . . 1.17 111.033 -171.294 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 526' ' ' ASN . . . . . 0.421 ' HB2' ' O ' ' A' ' 525' ' ' CYS . 83.3 m-20 82.6 30.18 0.1 Allowed 'General case' 0 N--CA 1.469 0.495 0 O-C-N 124.447 1.092 . . . . 0.26 110.824 172.868 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 527' ' ' LEU . . . . . 0.408 ' HB3' ' SG ' ' A' ' 532' ' ' CYS . 81.8 mt -85.73 123.69 72.06 Favored Pre-proline 0 C--N 1.319 -0.723 0 N-CA-C 108.386 -0.968 . . . . 0.25 108.386 176.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 528' ' ' PRO . . . . . 0.406 ' HD3' ' HA ' ' A' ' 527' ' ' LEU . 7.6 Cg_exo -71.54 131.81 19.42 Favored 'Trans proline' 0 N--CA 1.456 -0.689 0 C-N-CA 121.039 1.159 . . . . 0.38 111.259 -178.425 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 529' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -65.85 138.51 57.93 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 109.524 -0.547 . . . . 1.6 109.524 177.794 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 530' ' ' GLY . . . . . . . . . . . . . . . 87.66 3.13 81.12 Favored Glycine 0 N--CA 1.443 -0.835 0 C-N-CA 120.185 -1.007 . . . . 0.48 110.596 -173.435 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 531' ' ' SER . . . . . . . . . . . . . 55.5 m -147.5 8.19 0.89 Allowed 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.186 -0.507 . . . . 1.08 109.817 -178.596 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 532' ' ' CYS . . . . . 0.488 ' HB2' ' HD2' ' A' ' 554' ' ' LYS . 70.0 m -89.88 86.11 6.55 Favored 'General case' 0 CA--C 1.516 -0.354 0 N-CA-C 108.764 -0.828 . . . . 0.25 108.764 179.013 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 533' ' ' THR . . . . . 0.419 ' O ' HG23 ' A' ' 537' ' ' VAL . 34.0 p -96.83 152.22 18.9 Favored 'General case' 0 C--N 1.317 -0.807 0 N-CA-C 108.889 -0.782 . . . . 0.35 108.889 -178.585 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 534' ' ' GLU . . . . . 0.736 ' HA ' HD11 ' A' ' 552' ' ' LEU . 15.5 mp0 -64.98 -33.8 76.91 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-O 121.602 0.715 . . . . 1.64 109.106 176.445 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 535' ' ' ASN . . . . . . . . . . . . . 61.7 t30 -65.46 -48.14 73.71 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 114.561 -1.199 . . . . 1.82 111.277 -176.364 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 536' ' ' ASP . . . . . . . . . . . . . 39.5 m-20 -69.35 -45.66 68.89 Favored 'General case' 0 N--CA 1.476 0.85 0 CA-C-O 121.293 0.568 . . . . 0.61 111.475 -172.808 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 537' ' ' VAL . . . . . 0.419 HG23 ' O ' ' A' ' 533' ' ' THR . 44.3 t -59.63 -48.48 87.25 Favored 'Isoleucine or valine' 0 C--O 1.243 0.714 0 CA-C-N 114.862 -1.063 . . . . 0.15 110.024 -178.087 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 538' ' ' ILE . . . . . 0.747 HD11 ' CG ' ' A' ' 550' ' ' TYR . 33.0 mt -69.04 -32.54 54.73 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.894 0 CA-C-N 115.32 -0.855 . . . . 0.23 111.611 176.139 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 539' ' ' ASN . . . . . 0.455 ' HA ' HD11 ' A' ' 615' ' ' ILE . 10.2 m120 -57.94 -25.59 61.13 Favored 'General case' 0 CA--C 1.516 -0.344 0 N-CA-C 109.804 -0.443 . . . . 0.25 109.804 175.398 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 540' ' ' LEU . . . . . 0.432 HD11 HD12 ' A' ' 588' ' ' LEU . 89.7 mt -75.02 -42.59 57.02 Favored 'General case' 0 N--CA 1.45 -0.455 0 N-CA-C 109.874 -0.417 . . . . 0.27 109.874 173.604 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 541' ' ' GLY . . . . . 0.606 ' HA2' ' SD ' ' A' ' 572' ' ' MET . . . -69.25 -52.37 22.85 Favored Glycine 0 CA--C 1.525 0.712 0 N-CA-C 115.66 1.024 . . . . 0.19 115.66 -178.366 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 542' ' ' LEU . . . . . 0.501 ' HA ' ' O ' ' A' ' 545' ' ' GLY . 36.3 mt -55.83 -46.04 99.8 Favored Pre-proline 0 C--N 1.321 -0.65 0 N-CA-C 114.855 1.428 . . . . 0.2 114.855 -168.833 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 543' ' ' PRO . . . . . 0.45 ' HG3' HD13 ' A' ' 615' ' ' ILE . 42.4 Cg_exo -61.14 -22.07 73.56 Favored 'Trans proline' 0 C--N 1.349 0.586 0 C-N-CA 121.94 1.76 . . . . 0.23 113.336 -177.551 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 544' ' ' PHE . . . . . 0.475 ' HB2' ' HE2' ' A' ' 572' ' ' MET . 96.0 m-85 -99.95 -16.15 18.07 Favored 'General case' 0 C--N 1.33 -0.255 0 O-C-N 122.041 -0.412 . . . . 0.33 111.283 176.765 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 545' ' ' GLY . . . . . 0.501 ' O ' ' HA ' ' A' ' 542' ' ' LEU . . . 175.38 157.7 17.38 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.424 -0.894 . . . . 0.44 112.546 -178.869 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 546' ' ' LYS . . . . . . . . . . . . . 56.0 tptt -65.73 129.79 41.0 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.23 0.538 . . . . 2.07 111.665 -178.44 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 547' ' ' VAL . . . . . 0.591 HG21 HG23 ' A' ' 538' ' ' ILE . 81.8 t -94.53 116.0 34.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-N 115.254 -0.884 . . . . 0.2 110.115 176.24 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 548' ' ' THR . . . . . . . . . . . . . 22.7 p -93.65 -36.34 12.4 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.471 -0.331 . . . . 0.31 111.728 179.236 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 549' ' ' ASN . . . . . . . . . . . . . 88.4 m-20 -143.5 162.32 36.14 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.083 -0.508 . . . . 1.26 110.636 177.893 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 550' ' ' TYR . . . . . 0.747 ' CG ' HD11 ' A' ' 538' ' ' ILE . 4.6 p90 -162.31 154.15 18.65 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.762 -0.654 . . . . 0.31 109.651 -179.933 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 551' ' ' ILE . . . . . 0.501 ' HB ' ' HB2' ' A' ' 560' ' ' PHE . 41.2 mt -140.54 123.79 16.85 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.728 0 N-CA-C 108.144 -1.058 . . . . 0.22 108.144 -178.686 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 552' ' ' LEU . . . . . 0.736 HD11 ' HA ' ' A' ' 534' ' ' GLU . 20.3 mt -107.63 124.86 50.6 Favored 'General case' 0 C--N 1.311 -1.088 0 C-N-CA 119.298 -0.961 . . . . 0.43 110.272 -179.348 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 553' ' ' MET . . . . . 0.428 ' SD ' ' HE2' ' A' ' 560' ' ' PHE . 27.2 mtp -107.26 80.94 1.47 Allowed 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 108.326 -0.99 . . . . 1.03 108.326 -177.758 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 554' ' ' LYS . . . . . 0.488 ' HD2' ' HB2' ' A' ' 532' ' ' CYS . 22.8 mmtp -54.0 -29.11 41.93 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 114.862 -1.063 . . . . 1.03 112.498 176.706 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 555' ' ' SER . . . . . . . . . . . . . 63.6 p -69.03 -43.0 75.59 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 111.911 0.337 . . . . 0.51 111.911 -174.259 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 556' ' ' THR . . . . . 0.439 ' O ' ' HG3' ' A' ' 558' ' ' GLN . 41.2 p -102.82 7.93 39.39 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 112.81 0.67 . . . . 0.45 112.81 -174.695 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 557' ' ' ASN . . . . . . . . . . . . . 43.7 m-80 59.14 39.64 22.77 Favored 'General case' 0 N--CA 1.47 0.542 0 CA-C-O 121.595 0.712 . . . . 1.28 110.155 -176.093 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 558' ' ' GLN . . . . . 0.439 ' HG3' ' O ' ' A' ' 556' ' ' THR . 77.1 mt-30 -138.2 167.28 22.16 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.21 -0.905 . . . . 0.84 109.758 -175.238 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 559' ' ' ALA . . . . . 0.42 ' HB1' HD23 ' A' ' 552' ' ' LEU . . . -159.11 166.25 32.01 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.242 0.544 . . . . 0.16 112.102 177.859 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 560' ' ' PHE . . . . . 0.501 ' HB2' ' HB ' ' A' ' 551' ' ' ILE . 89.1 m-85 -120.84 147.47 45.34 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.452 -0.795 . . . . 0.35 110.439 174.423 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 561' ' ' LEU . . . . . 0.553 HD21 ' HA3' ' A' ' 541' ' ' GLY . 57.3 tp -135.02 119.19 17.64 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 115.478 -0.783 . . . . 0.2 109.672 -179.913 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 562' ' ' GLU . . . . . 0.434 ' HB2' HD12 ' A' ' 599' ' ' LEU . 33.3 tt0 -99.23 122.26 42.17 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.605 0.716 . . . . 2.09 110.222 179.124 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 563' ' ' MET . . . . . 0.681 ' SD ' ' HA ' ' A' ' 569' ' ' ALA . 34.4 mtt -108.73 146.8 32.95 Favored 'General case' 0 C--N 1.313 -0.979 0 CA-C-N 114.889 -1.051 . . . . 0.39 109.336 -176.844 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 564' ' ' ALA . . . . . . . . . . . . . . . -63.48 -24.04 67.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.631 -0.713 . . . . 0.5 112.3 -170.864 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 565' ' ' TYR . . . . . . . . . . . . . 76.6 m-85 -145.3 156.48 43.83 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.018 0.437 . . . . 1.15 110.808 -178.675 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 566' ' ' THR . . . . . . . . . . . . . 13.3 t -67.74 -27.17 66.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.344 -0.843 . . . . 0.57 110.241 -179.125 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 567' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -58.1 -33.68 69.36 Favored 'General case' 0 C--O 1.232 0.17 0 CA-C-N 115.665 -0.698 . . . . 0.89 110.861 178.209 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 568' ' ' ALA . . . . . 0.625 ' O ' ' HG3' ' A' ' 572' ' ' MET . . . -74.52 -42.48 58.83 Favored 'General case' 0 N--CA 1.448 -0.543 0 CA-C-N 115.828 -0.624 . . . . 0.26 110.352 -177.688 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 569' ' ' ALA . . . . . 0.681 ' HA ' ' SD ' ' A' ' 563' ' ' MET . . . -61.95 -45.34 94.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.708 -0.678 . . . . 0.24 111.822 -174.572 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 570' ' ' GLN . . . . . . . . . . . . . 28.6 pt20 -68.9 -36.58 78.21 Favored 'General case' 0 C--N 1.327 -0.393 0 C-N-CA 120.564 -0.455 . . . . 1.24 110.5 -177.625 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 571' ' ' ALA . . . . . . . . . . . . . . . -65.29 -43.12 92.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.207 -0.451 . . . . 0.31 111.028 -178.212 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 572' ' ' MET . . . . . 0.625 ' HG3' ' O ' ' A' ' 568' ' ' ALA . 25.4 mtt -69.0 -44.24 73.19 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.421 -0.354 . . . . 0.47 110.516 -179.577 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 573' ' ' VAL . . . . . 0.683 ' O ' ' HG2' ' A' ' 577' ' ' GLN . 72.6 t -59.91 -48.67 86.86 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.183 0 C-N-CA 120.983 -0.287 . . . . 0.34 110.33 179.46 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 574' ' ' GLN . . . . . . . . . . . . . 18.0 mm-40 -62.13 -36.23 81.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.319 -0.401 . . . . 2.09 111.032 -179.838 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 575' ' ' TYR . . . . . . . . . . . . . 85.5 t80 -66.41 -52.04 50.67 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.045 -0.525 . . . . 0.48 110.339 -179.364 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 576' ' ' TYR . . . . . 0.627 ' CE1' ' HB2' ' A' ' 581' ' ' ALA . 67.3 m-85 -76.79 -13.05 60.06 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 112.826 0.676 . . . . 0.36 112.826 -176.815 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 577' ' ' GLN . . . . . 0.683 ' HG2' ' O ' ' A' ' 573' ' ' VAL . 81.7 mm-40 -69.12 -42.69 75.71 Favored 'General case' 0 C--N 1.327 -0.396 0 C-N-CA 120.432 -0.507 . . . . 1.89 109.67 170.718 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 578' ' ' GLU . . . . . 0.498 ' HB2' ' HD2' ' A' ' 579' ' ' LYS . 70.2 mt-10 -86.46 -39.89 15.86 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.092 -0.504 . . . . 2.14 111.188 178.528 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 579' ' ' LYS . . . . . 0.498 ' HD2' ' HB2' ' A' ' 578' ' ' GLU . 6.5 mptt -131.82 87.11 46.13 Favored Pre-proline 0 C--N 1.329 -0.322 0 N-CA-C 109.82 -0.437 . . . . 2.46 109.82 179.553 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 580' ' ' PRO . . . . . . . . . . . . . 32.8 Cg_endo -64.52 160.82 37.84 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.593 2.195 . . . . 0.37 112.554 -178.031 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 581' ' ' ALA . . . . . 0.627 ' HB2' ' CE1' ' A' ' 576' ' ' TYR . . . -91.32 132.06 36.41 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 109.383 -0.599 . . . . 0.27 109.383 177.699 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 582' ' ' ILE . . . . . . . . . . . . . 71.7 mt -108.15 120.74 60.05 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.881 0 CA-C-O 121.016 0.436 . . . . 0.51 111.503 -173.792 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 583' ' ' ILE . . . . . . . . . . . . . 31.8 mm -123.19 117.84 52.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 115.645 -0.707 . . . . 0.51 109.097 175.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 584' ' ' ASN . . . . . . . . . . . . . 80.8 m-20 59.8 32.38 21.3 Favored 'General case' 0 N--CA 1.467 0.376 0 CA-C-O 121.17 0.51 . . . . 1.1 110.269 -177.068 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 585' ' ' GLY . . . . . . . . . . . . . . . 81.83 0.93 90.02 Favored Glycine 0 N--CA 1.447 -0.626 0 C-N-CA 120.914 -0.66 . . . . 0.44 112.98 -179.776 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 586' ' ' GLU . . . . . . . . . . . . . 35.0 mm-40 -102.24 126.67 49.29 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.887 0.344 . . . . 1.79 110.758 -177.791 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 587' ' ' LYS . . . . . . . . . . . . . 95.1 mttt -74.75 125.85 29.63 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.912 -0.586 . . . . 1.67 111.79 178.614 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 588' ' ' LEU . . . . . 0.432 HD12 HD11 ' A' ' 540' ' ' LEU . 43.1 mt -88.05 140.83 29.09 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.993 -0.549 . . . . 0.24 110.497 178.671 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 589' ' ' LEU . . . . . . . . . . . . . 42.2 tp -112.47 111.54 22.45 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.131 -0.486 . . . . 0.38 110.928 -179.33 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 590' ' ' ILE . . . . . 0.474 HD12 ' CD2' ' A' ' 576' ' ' TYR . 17.2 mt -101.34 125.51 55.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 N-CA-C 110.191 -0.3 . . . . 0.26 110.191 175.518 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 591' ' ' ARG . . . . . . . . . . . . . 31.2 mtp180 -147.63 164.11 34.53 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.346 -0.388 . . . . 2.62 110.55 -178.298 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 592' ' ' MET . . . . . . . . . . . . . 65.4 mtt -82.34 140.42 33.54 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 109.234 -0.654 . . . . 0.34 109.234 176.567 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 593' ' ' SER . . . . . 0.422 ' OG ' ' HB2' ' A' ' 523' ' ' HIS . 23.6 m -87.25 136.82 32.79 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.158 0.504 . . . . 1.37 111.647 -173.784 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 594' ' ' THR . . . . . . . . . . . . . 18.8 p -91.57 -13.38 32.11 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.017 -0.992 . . . . 0.38 112.886 -175.276 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 595' ' ' ARG . . . . . . . . . . . . . 96.3 mtt180 -102.22 -28.94 12.0 Favored 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 112.724 0.639 . . . . 2.75 112.724 -170.315 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 596' ' ' TYR . . . . . . . . . . . . . 87.9 m-85 -127.9 148.92 50.5 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.747 0.308 . . . . 0.65 111.479 -178.22 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 597' ' ' LYS . . . . . . . . . . . . . 1.5 mtmt -110.77 -6.37 14.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.727 -0.67 . . . . 2.18 112.769 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 598' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -142.45 150.51 40.67 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.101 0.477 . . . . 0.95 110.936 -179.119 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 599' ' ' LEU . . . . . 0.712 HD21 HG13 ' A' ' 521' ' ' VAL . 80.5 mt -118.62 121.62 40.61 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.29 -0.868 . . . . 0.45 110.745 176.594 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 600' ' ' GLN . . . . . . . . . . . . . 25.2 tt0 -114.16 129.9 56.61 Favored 'General case' 0 C--N 1.32 -0.676 0 N-CA-C 109.392 -0.596 . . . . 1.52 109.392 177.408 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 601' ' ' LEU . . . . . . . . . . . . . 39.2 mt -78.82 94.92 5.25 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.037 0.446 . . . . 0.46 110.813 -179.369 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 602' ' ' LYS . . . . . . . . . . . . . 56.0 mtpt -77.64 -24.76 49.4 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.744 -0.662 . . . . 1.73 109.8 175.35 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 603' ' ' LYS . . . . . . . . . . . . . 12.3 mptt . . . . . 0 C--N 1.325 -0.472 0 CA-C-N 115.363 -0.835 . . . . 1.69 109.543 172.468 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 607' ' ' ASN . . . . . . . . . . . . . 47.8 t-20 . . . . . 0 C--O 1.234 0.244 0 CA-C-O 121.041 0.448 . . . . 1.33 110.587 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 608' ' ' VAL . . . . . 0.575 HG13 HG21 ' A' ' 538' ' ' ILE . 98.5 t -75.4 -21.2 16.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-N 115.511 -0.768 . . . . 0.3 111.293 -177.397 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 609' ' ' ALA . . . . . . . . . . . . . . . -65.21 -37.83 88.54 Favored 'General case' 0 C--O 1.236 0.363 0 CA-C-O 121.283 0.563 . . . . 0.44 110.322 177.148 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 610' ' ' ALA . . . . . . . . . . . . . . . -62.9 -29.84 71.08 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.502 -0.772 . . . . 0.4 109.987 176.635 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 611' ' ' ILE . . . . . 0.525 ' CD1' HD12 ' A' ' 538' ' ' ILE . 66.0 mt -70.52 -32.98 51.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 115.415 -0.812 . . . . 0.25 109.808 -179.556 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 612' ' ' ILE . . . . . 0.48 HG12 HD13 ' A' ' 542' ' ' LEU . 64.2 mt -60.37 -44.09 95.24 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.196 0 CA-C-O 121.141 0.496 . . . . 0.31 109.775 173.803 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 613' ' ' GLN . . . . . . . . . . . . . 12.6 mm100 -63.88 -30.37 71.47 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.845 -0.616 . . . . 2.31 110.616 178.75 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 614' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -69.07 -33.58 73.78 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.548 -0.751 . . . . 1.95 110.914 178.232 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 615' ' ' ILE . . . . . 0.455 HD11 ' HA ' ' A' ' 539' ' ' ASN . 83.8 mt -72.95 -41.79 60.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-N 116.278 -0.419 . . . . 0.35 110.714 177.433 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 616' ' ' HIS . . . . . 0.437 ' HD2' ' O ' ' A' ' 612' ' ' ILE . 43.4 m-70 -69.49 -32.83 71.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.01 -0.541 . . . . 1.26 111.698 -179.89 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 617' ' ' SER . . . . . . . . . . . . . 10.2 p . . . . . 0 C--N 1.329 -0.305 0 N-CA-C 109.402 -0.592 . . . . 1.18 109.402 172.302 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 520' ' ' ARG . . . . . . . . . . . . . 18.7 mtm-85 . . . . . 0 N--CA 1.447 -0.61 0 CA-C-O 121.188 0.518 . . . . 2.22 110.988 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 521' ' ' VAL . . . . . 0.644 HG13 HD21 ' A' ' 599' ' ' LEU . 61.0 t -118.95 121.6 67.24 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.75 0 CA-C-N 115.394 -0.821 . . . . 0.32 109.978 166.457 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 522' ' ' VAL . . . . . 0.556 ' HB ' ' O ' ' A' ' 561' ' ' LEU . 25.4 t -119.67 121.16 65.52 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.955 0 N-CA-C 107.705 -1.22 . . . . 0.22 107.705 175.495 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 523' ' ' HIS . . . . . . . . . . . . . 50.5 t-80 -106.21 131.44 53.45 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-O 121.167 0.508 . . . . 0.44 110.678 -171.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 524' ' ' ILE . . . . . 0.471 HD11 HD22 ' A' ' 561' ' ' LEU . 26.9 mt -111.09 137.19 44.61 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.96 0 N-CA-C 108.295 -1.002 . . . . 0.19 108.295 177.556 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 525' ' ' CYS . . . . . 0.465 ' SG ' ' HB3' ' A' ' 589' ' ' LEU . 7.5 p -134.4 163.62 29.27 Favored 'General case' 0 C--N 1.313 -1.003 0 C-N-CA 120.491 -0.484 . . . . 1.17 111.781 -175.146 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 526' ' ' ASN . . . . . 0.426 ' HB2' ' O ' ' A' ' 525' ' ' CYS . 80.4 m-20 85.47 29.95 0.05 OUTLIER 'General case' 0 N--CA 1.466 0.352 0 O-C-N 124.889 1.368 . . . . 0.26 110.758 174.775 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 527' ' ' LEU . . . . . . . . . . . . . 80.9 mt -83.77 123.75 75.77 Favored Pre-proline 0 C--N 1.324 -0.542 0 N-CA-C 109.136 -0.69 . . . . 0.25 109.136 178.133 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 528' ' ' PRO . . . . . 0.487 ' HG2' ' HB2' ' A' ' 531' ' ' SER . 19.6 Cg_endo -70.65 133.42 23.9 Favored 'Trans proline' 0 N--CA 1.455 -0.759 0 C-N-CA 121.2 1.266 . . . . 0.38 111.485 179.609 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 529' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -67.84 137.93 55.7 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 108.964 -0.754 . . . . 1.6 108.964 179.76 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 530' ' ' GLY . . . . . . . . . . . . . . . 88.22 4.55 77.53 Favored Glycine 0 N--CA 1.445 -0.746 0 C-N-CA 120.064 -1.065 . . . . 0.48 110.539 -172.059 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 531' ' ' SER . . . . . 0.487 ' HB2' ' HG2' ' A' ' 528' ' ' PRO . 68.9 m -149.24 6.53 0.67 Allowed 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.047 -0.576 . . . . 1.08 109.882 -174.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 532' ' ' CYS . . . . . . . . . . . . . 61.1 m -89.44 84.45 6.42 Favored 'General case' 0 CA--C 1.516 -0.346 0 N-CA-C 109.189 -0.671 . . . . 0.25 109.189 179.505 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 533' ' ' THR . . . . . 0.525 ' O ' HG23 ' A' ' 537' ' ' VAL . 28.8 p -99.53 152.14 20.36 Favored 'General case' 0 N--CA 1.443 -0.784 0 N-CA-C 108.695 -0.854 . . . . 0.35 108.695 -178.879 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 534' ' ' GLU . . . . . 0.527 ' N ' HD11 ' A' ' 552' ' ' LEU . 37.2 mt-10 -66.47 -34.38 77.8 Favored 'General case' 0 C--N 1.319 -0.758 0 N-CA-C 108.793 -0.818 . . . . 1.64 108.793 176.683 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 535' ' ' ASN . . . . . . . . . . . . . 66.0 t30 -63.28 -49.13 75.28 Favored 'General case' 0 C--O 1.214 -0.764 0 CA-C-N 114.553 -1.203 . . . . 1.82 111.202 -176.338 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 536' ' ' ASP . . . . . . . . . . . . . 49.6 m-20 -69.48 -43.03 74.02 Favored 'General case' 0 N--CA 1.474 0.764 0 CA-C-O 121.428 0.632 . . . . 0.61 111.156 -172.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 537' ' ' VAL . . . . . 0.525 HG23 ' O ' ' A' ' 533' ' ' THR . 38.7 t -59.96 -47.7 90.67 Favored 'Isoleucine or valine' 0 C--O 1.242 0.681 0 CA-C-N 114.964 -1.016 . . . . 0.15 109.921 -179.597 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 538' ' ' ILE . . . . . 0.667 HD11 ' CG ' ' A' ' 550' ' ' TYR . 71.5 mt -68.44 -33.44 60.22 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.752 0 CA-C-N 115.129 -0.941 . . . . 0.23 111.501 176.065 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 539' ' ' ASN . . . . . 0.578 ' HA ' HD11 ' A' ' 615' ' ' ILE . 12.2 m120 -58.23 -27.73 64.22 Favored 'General case' 0 CA--C 1.514 -0.438 0 N-CA-C 110.366 -0.235 . . . . 0.25 110.366 177.214 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 540' ' ' LEU . . . . . 0.576 HD11 HD12 ' A' ' 588' ' ' LEU . 84.7 mt -75.86 -41.08 53.31 Favored 'General case' 0 C--N 1.324 -0.514 0 C-N-CA 120.622 -0.431 . . . . 0.27 110.351 173.765 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 541' ' ' GLY . . . . . 0.523 ' HA3' HD21 ' A' ' 561' ' ' LEU . . . -64.96 -52.4 42.26 Favored Glycine 0 CA--C 1.523 0.565 0 N-CA-C 115.44 0.936 . . . . 0.19 115.44 -179.751 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 542' ' ' LEU . . . . . 0.491 ' HB2' ' CD1' ' A' ' 615' ' ' ILE . 62.8 mt -56.63 -46.34 99.84 Favored Pre-proline 0 C--N 1.322 -0.606 0 N-CA-C 114.999 1.481 . . . . 0.2 114.999 -168.428 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 543' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -57.87 -26.6 74.88 Favored 'Trans proline' 0 C--N 1.35 0.612 0 C-N-CA 122.138 1.892 . . . . 0.23 113.984 -175.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 544' ' ' PHE . . . . . . . . . . . . . 97.0 m-85 -100.01 -16.46 17.91 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-O 120.835 0.35 . . . . 0.33 111.174 178.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 545' ' ' GLY . . . . . 0.475 ' O ' ' HA ' ' A' ' 542' ' ' LEU . . . 178.31 154.53 12.72 Favored Glycine 0 N--CA 1.447 -0.579 0 C-N-CA 120.765 -0.731 . . . . 0.44 112.057 179.79 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 546' ' ' LYS . . . . . . . . . . . . . 40.3 ttmt -66.42 131.34 45.85 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 121.04 0.448 . . . . 2.07 111.17 -177.191 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 547' ' ' VAL . . . . . 0.578 HG21 HG23 ' A' ' 538' ' ' ILE . 69.1 t -89.56 115.32 28.97 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-N 115.719 -0.673 . . . . 0.2 110.448 177.53 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 548' ' ' THR . . . . . . . . . . . . . 25.8 p -93.44 -35.23 13.09 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.252 -0.431 . . . . 0.31 111.251 -179.851 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 549' ' ' ASN . . . . . . . . . . . . . 91.9 m-20 -142.51 160.05 41.05 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.128 -0.487 . . . . 1.26 110.642 178.643 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 550' ' ' TYR . . . . . 0.667 ' CG ' HD11 ' A' ' 538' ' ' ILE . 4.8 p90 -161.13 151.46 17.74 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.637 -0.71 . . . . 0.31 109.228 -178.595 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 551' ' ' ILE . . . . . 0.568 ' HB ' ' HB2' ' A' ' 560' ' ' PHE . 62.5 mt -145.5 126.91 8.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 N-CA-C 108.365 -0.976 . . . . 0.22 108.365 -177.027 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 552' ' ' LEU . . . . . 0.527 HD11 ' N ' ' A' ' 534' ' ' GLU . 22.2 mt -106.26 124.85 50.23 Favored 'General case' 0 C--N 1.315 -0.903 0 C-N-CA 120.006 -0.678 . . . . 0.43 110.923 -178.39 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 553' ' ' MET . . . . . . . . . . . . . 42.7 mtp -108.37 80.28 1.34 Allowed 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 108.82 -0.807 . . . . 1.03 108.82 -179.332 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 554' ' ' LYS . . . . . . . . . . . . . 26.3 mmtp -54.03 -29.49 43.89 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 114.478 -1.237 . . . . 1.03 113.011 175.776 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 555' ' ' SER . . . . . . . . . . . . . 65.7 p -69.33 -44.63 71.27 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 120.729 0.3 . . . . 0.51 111.699 -173.37 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 556' ' ' THR . . . . . . . . . . . . . 41.1 p -102.2 7.5 40.84 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 112.753 0.649 . . . . 0.45 112.753 -175.283 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 557' ' ' ASN . . . . . . . . . . . . . 19.1 m120 60.46 39.91 17.79 Favored 'General case' 0 N--CA 1.471 0.596 0 CA-C-O 121.663 0.745 . . . . 1.28 110.29 -176.316 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 558' ' ' GLN . . . . . . . . . . . . . 77.4 mt-30 -135.61 168.4 19.33 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.028 -0.987 . . . . 0.84 109.647 -174.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 559' ' ' ALA . . . . . . . . . . . . . . . -158.95 165.59 33.76 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.093 0.473 . . . . 0.16 111.547 176.467 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 560' ' ' PHE . . . . . 0.568 ' HB2' ' HB ' ' A' ' 551' ' ' ILE . 85.0 m-85 -119.46 145.09 46.59 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.95 -0.568 . . . . 0.35 110.142 176.075 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 561' ' ' LEU . . . . . 0.556 ' O ' ' HB ' ' A' ' 522' ' ' VAL . 54.0 tp -135.05 119.4 17.85 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.721 -0.672 . . . . 0.2 110.05 -179.409 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 562' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -101.08 136.11 41.45 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.283 0.563 . . . . 2.09 109.842 177.501 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 563' ' ' MET . . . . . 0.587 ' SD ' ' HA ' ' A' ' 569' ' ' ALA . 40.5 mtt -120.77 164.95 15.82 Favored 'General case' 0 C--N 1.317 -0.84 0 CA-C-N 115.263 -0.88 . . . . 0.39 110.03 -170.329 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 564' ' ' ALA . . . . . . . . . . . . . . . -59.1 -43.34 91.85 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 120.834 0.349 . . . . 0.5 111.94 -175.631 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 565' ' ' TYR . . . . . 0.415 ' HB2' ' HG2' ' A' ' 567' ' ' GLU . 96.9 m-85 -144.37 162.72 35.76 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.245 -0.434 . . . . 1.15 110.993 -177.032 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 566' ' ' THR . . . . . . . . . . . . . 13.3 t -62.6 -27.15 69.0 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.675 -0.693 . . . . 0.57 110.836 179.342 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 567' ' ' GLU . . . . . 0.415 ' HG2' ' HB2' ' A' ' 565' ' ' TYR . 10.3 pt-20 -61.33 -32.28 72.15 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.945 -0.57 . . . . 0.89 110.807 176.636 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 568' ' ' ALA . . . . . 0.677 ' O ' ' HG3' ' A' ' 572' ' ' MET . . . -72.56 -41.47 65.7 Favored 'General case' 0 N--CA 1.448 -0.531 0 N-CA-C 109.402 -0.592 . . . . 0.26 109.402 -179.463 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 569' ' ' ALA . . . . . 0.587 ' HA ' ' SD ' ' A' ' 563' ' ' MET . . . -64.15 -45.76 87.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.77 -0.65 . . . . 0.24 111.083 -178.448 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 570' ' ' GLN . . . . . . . . . . . . . 14.0 pt20 -64.8 -35.99 82.87 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.257 -0.429 . . . . 1.24 110.62 -177.039 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 571' ' ' ALA . . . . . . . . . . . . . . . -67.5 -45.16 76.65 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.242 -0.435 . . . . 0.31 111.021 179.539 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 572' ' ' MET . . . . . 0.677 ' HG3' ' O ' ' A' ' 568' ' ' ALA . 25.4 mtt -69.27 -44.22 72.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 0.47 110.849 -178.246 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 573' ' ' VAL . . . . . 0.584 ' O ' ' HG3' ' A' ' 577' ' ' GLN . 75.1 t -59.01 -46.71 91.52 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.263 0 CA-C-N 116.796 -0.183 . . . . 0.34 110.555 -178.524 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 574' ' ' GLN . . . . . . . . . . . . . 48.7 mt-30 -62.21 -37.39 85.16 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.853 0.359 . . . . 2.09 110.902 178.288 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 575' ' ' TYR . . . . . . . . . . . . . 92.9 t80 -68.27 -53.2 26.14 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.041 -0.527 . . . . 0.48 110.858 -176.908 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 576' ' ' TYR . . . . . 0.583 ' CD2' HD12 ' A' ' 590' ' ' ILE . 94.4 m-85 -76.41 -13.3 60.13 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 113.055 0.761 . . . . 0.36 113.055 -174.567 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 577' ' ' GLN . . . . . 0.584 ' HG3' ' O ' ' A' ' 573' ' ' VAL . 43.7 mt-30 -71.05 -43.21 68.3 Favored 'General case' 0 C--N 1.327 -0.387 0 C-N-CA 120.229 -0.588 . . . . 1.89 110.168 173.367 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 578' ' ' GLU . . . . . . . . . . . . . 32.8 mt-10 -91.86 -37.13 13.1 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.066 -0.515 . . . . 2.14 111.346 -179.615 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 579' ' ' LYS . . . . . . . . . . . . . 93.4 mttt -124.39 82.45 58.19 Favored Pre-proline 0 C--N 1.325 -0.499 0 N-CA-C 109.594 -0.521 . . . . 2.46 109.594 176.332 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 580' ' ' PRO . . . . . . . . . . . . . 37.0 Cg_endo -65.94 160.32 44.77 Favored 'Trans proline' 0 C--O 1.232 0.224 0 C-N-CA 122.577 2.185 . . . . 0.37 112.464 -177.859 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 581' ' ' ALA . . . . . . . . . . . . . . . -91.59 139.04 31.08 Favored 'General case' 0 CA--C 1.513 -0.472 0 CA-C-N 116.268 -0.424 . . . . 0.27 110.058 -179.462 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 582' ' ' ILE . . . . . . . . . . . . . 26.3 mt -104.48 118.87 52.47 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 CA-C-O 120.973 0.416 . . . . 0.51 111.014 -176.672 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 583' ' ' ILE . . . . . 0.447 HG13 HD11 ' A' ' 588' ' ' LEU . 29.3 mm -121.14 111.16 30.37 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 115.921 -0.582 . . . . 0.51 109.589 172.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 584' ' ' ASN . . . . . . . . . . . . . 96.3 m-20 50.8 44.01 28.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.553 0.692 . . . . 1.1 110.559 179.47 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 585' ' ' GLY . . . . . . . . . . . . . . . 85.56 -3.6 86.92 Favored Glycine 0 N--CA 1.449 -0.48 0 CA-C-N 114.696 -1.138 . . . . 0.44 114.669 176.649 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 586' ' ' GLU . . . . . . . . . . . . . 74.1 mm-40 -100.46 126.24 46.85 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 117.939 0.869 . . . . 1.79 111.31 -179.337 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 587' ' ' LYS . . . . . . . . . . . . . 42.5 mmtm -75.96 119.72 20.3 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.419 -0.809 . . . . 1.67 110.531 174.231 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 588' ' ' LEU . . . . . 0.576 HD12 HD11 ' A' ' 540' ' ' LEU . 42.5 mt -91.05 137.61 32.23 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 116.192 -0.458 . . . . 0.24 110.887 -179.858 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 589' ' ' LEU . . . . . 0.465 ' HB3' ' SG ' ' A' ' 525' ' ' CYS . 43.5 tp -114.69 121.9 44.79 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.803 -0.635 . . . . 0.38 110.532 179.793 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 590' ' ' ILE . . . . . 0.583 HD12 ' CD2' ' A' ' 576' ' ' TYR . 24.5 mt -106.49 122.6 60.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 116.584 -0.28 . . . . 0.26 110.276 177.267 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 591' ' ' ARG . . . . . . . . . . . . . 49.4 mtp180 -147.47 166.63 26.67 Favored 'General case' 0 N--CA 1.465 0.279 0 C-N-CA 122.569 0.348 . . . . 2.62 110.21 -177.564 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 592' ' ' MET . . . . . . . . . . . . . 63.7 mtt -81.37 150.96 28.19 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.614 0.245 . . . . 0.34 110.366 -178.307 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 593' ' ' SER . . . . . . . . . . . . . 36.2 t -86.18 136.48 33.18 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.326 0.584 . . . . 1.37 111.442 -178.229 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 594' ' ' THR . . . . . . . . . . . . . 19.2 p -90.09 -20.04 23.63 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 114.777 -1.101 . . . . 0.38 111.685 179.084 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 595' ' ' ARG . . . . . . . . . . . . . 68.6 mtp180 -103.52 -30.02 10.78 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 112.633 0.605 . . . . 2.75 112.633 -171.487 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 596' ' ' TYR . . . . . . . . . . . . . 85.6 m-85 -116.02 141.62 47.88 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.167 0.508 . . . . 0.65 111.911 -175.206 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 597' ' ' LYS . . . . . 0.499 ' N ' ' HD2' ' A' ' 597' ' ' LYS . 0.1 OUTLIER -109.45 -12.95 14.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.496 -0.775 . . . . 2.18 111.409 177.971 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 598' ' ' GLU . . . . . . . . . . . . . 40.8 tt0 -143.63 150.91 39.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.129 0.49 . . . . 0.95 111.356 -179.779 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 599' ' ' LEU . . . . . 0.644 HD21 HG13 ' A' ' 521' ' ' VAL . 78.9 mt -119.83 121.58 39.42 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.315 -0.857 . . . . 0.45 110.303 174.239 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 600' ' ' GLN . . . . . . . . . . . . . 15.6 pt20 -113.85 136.57 52.72 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 109.522 -0.547 . . . . 1.52 109.522 174.189 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 601' ' ' LEU . . . . . . . . . . . . . 73.7 mt -80.34 99.08 7.73 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 116.229 -0.441 . . . . 0.46 110.976 -176.537 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 602' ' ' LYS . . . . . . . . . . . . . 54.2 mtmt -86.42 -10.89 53.35 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.904 -0.589 . . . . 1.73 110.198 175.804 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 603' ' ' LYS . . . . . . . . . . . . . 33.7 mmtp . . . . . 0 C--N 1.323 -0.551 0 CA-C-N 115.821 -0.627 . . . . 1.69 109.331 175.578 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 607' ' ' ASN . . . . . . . . . . . . . 26.9 t-20 . . . . . 0 C--O 1.233 0.225 0 CA-C-O 121.21 0.529 . . . . 1.33 110.916 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 608' ' ' VAL . . . . . 0.561 HG11 ' HB ' ' A' ' 547' ' ' VAL . 76.0 t -81.66 -23.2 10.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-N 115.513 -0.767 . . . . 0.3 111.511 -174.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 609' ' ' ALA . . . . . . . . . . . . . . . -62.58 -34.22 76.53 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.324 0.583 . . . . 0.44 110.224 174.479 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 610' ' ' ALA . . . . . . . . . . . . . . . -65.42 -27.58 68.64 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.761 -0.654 . . . . 0.4 110.186 175.207 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 611' ' ' ILE . . . . . 0.417 ' HB ' ' O ' ' A' ' 608' ' ' VAL . 71.7 mt -71.39 -31.41 43.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 115.755 -0.657 . . . . 0.25 109.671 177.091 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 612' ' ' ILE . . . . . 0.434 ' O ' ' HD2' ' A' ' 616' ' ' HIS . 63.1 mt -60.74 -43.74 95.82 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.22 0 CA-C-O 121.172 0.511 . . . . 0.31 109.69 173.424 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 613' ' ' GLN . . . . . . . . . . . . . 26.4 mm-40 -64.57 -30.59 71.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.721 0.772 . . . . 2.31 109.454 178.433 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 614' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -66.99 -42.17 85.52 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 114.597 -1.183 . . . . 1.95 109.726 179.72 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 615' ' ' ILE . . . . . 0.578 HD11 ' HA ' ' A' ' 539' ' ' ASN . 79.3 mt -65.1 -38.78 83.58 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 115.987 -0.551 . . . . 0.35 110.924 178.771 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 616' ' ' HIS . . . . . 0.434 ' HD2' ' O ' ' A' ' 612' ' ' ILE . 53.2 m-70 -64.51 -28.1 69.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.934 0.397 . . . . 1.26 110.494 177.352 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 617' ' ' SER . . . . . . . . . . . . . 18.4 m . . . . . 0 C--N 1.328 -0.359 0 CA-C-N 116.076 -0.511 . . . . 1.18 110.35 174.961 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 520' ' ' ARG . . . . . . . . . . . . . 19.3 mtm-85 . . . . . 0 N--CA 1.452 -0.346 0 CA-C-O 121.098 0.475 . . . . 2.22 111.077 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 521' ' ' VAL . . . . . 0.902 HG13 HD21 ' A' ' 599' ' ' LEU . 87.4 t -118.58 120.08 63.12 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 CA-C-N 115.404 -0.816 . . . . 0.32 109.892 165.254 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 522' ' ' VAL . . . . . 0.637 ' HB ' ' O ' ' A' ' 561' ' ' LEU . 25.6 t -121.11 120.85 63.35 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.963 0 N-CA-C 108.034 -1.099 . . . . 0.22 108.034 176.395 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 523' ' ' HIS . . . . . . . . . . . . . 59.1 t-80 -106.03 133.82 50.13 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 121.116 0.484 . . . . 0.44 110.446 -176.038 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 524' ' ' ILE . . . . . 0.426 HD11 HD22 ' A' ' 561' ' ' LEU . 31.3 mt -111.37 137.25 44.71 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.914 0 N-CA-C 108.489 -0.93 . . . . 0.19 108.489 176.638 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 525' ' ' CYS . . . . . 0.503 ' SG ' ' HB3' ' A' ' 589' ' ' LEU . 5.1 p -134.88 163.1 30.59 Favored 'General case' 0 C--N 1.314 -0.949 0 C-N-CA 120.475 -0.49 . . . . 1.17 111.664 -173.87 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 526' ' ' ASN . . . . . 0.462 ' HB2' ' O ' ' A' ' 525' ' ' CYS . 89.6 m-20 86.05 27.94 0.05 OUTLIER 'General case' 0 N--CA 1.469 0.487 0 O-C-N 124.917 1.385 . . . . 0.26 110.574 176.127 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 527' ' ' LEU . . . . . 0.455 ' O ' ' HB3' ' A' ' 557' ' ' ASN . 82.5 mt -84.11 124.3 74.43 Favored Pre-proline 0 C--N 1.325 -0.494 0 CA-C-N 115.549 -0.75 . . . . 0.25 109.066 177.663 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 528' ' ' PRO . . . . . 0.411 ' HD3' ' HA ' ' A' ' 527' ' ' LEU . 14.2 Cg_exo -68.55 136.18 35.64 Favored 'Trans proline' 0 N--CA 1.46 -0.47 0 C-N-CA 121.798 1.665 . . . . 0.38 112.023 -178.118 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 529' ' ' GLU . . . . . . . . . . . . . 47.6 tt0 -64.43 133.53 52.71 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.449 -0.796 . . . . 1.6 109.779 177.527 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 530' ' ' GLY . . . . . . . . . . . . . . . 86.77 5.26 81.6 Favored Glycine 0 N--CA 1.445 -0.703 0 C-N-CA 119.865 -1.159 . . . . 0.48 111.27 -173.88 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 531' ' ' SER . . . . . . . . . . . . . 50.1 m -148.03 11.57 0.94 Allowed 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.332 0.586 . . . . 1.08 110.189 -175.211 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 532' ' ' CYS . . . . . . . . . . . . . 63.1 m -89.85 88.25 7.27 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 109.109 -0.7 . . . . 0.25 109.109 177.515 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 533' ' ' THR . . . . . 0.477 ' O ' HG23 ' A' ' 537' ' ' VAL . 29.3 p -102.15 151.92 21.62 Favored 'General case' 0 C--N 1.322 -0.627 0 C-N-CA 119.908 -0.717 . . . . 0.35 109.225 -178.611 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 534' ' ' GLU . . . . . 0.545 ' N ' HD11 ' A' ' 552' ' ' LEU . 83.7 mt-10 -65.93 -34.35 77.93 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 108.984 -0.747 . . . . 1.64 108.984 176.681 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 535' ' ' ASN . . . . . . . . . . . . . 5.6 m-20 -62.83 -48.84 77.34 Favored 'General case' 0 C--O 1.214 -0.81 0 CA-C-N 114.703 -1.135 . . . . 1.82 111.523 -177.111 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 536' ' ' ASP . . . . . . . . . . . . . 51.4 m-20 -69.83 -44.86 69.08 Favored 'General case' 0 N--CA 1.473 0.676 0 CA-C-O 121.34 0.59 . . . . 0.61 111.266 -172.833 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 537' ' ' VAL . . . . . 0.477 HG23 ' O ' ' A' ' 533' ' ' THR . 36.3 t -60.33 -48.14 89.47 Favored 'Isoleucine or valine' 0 C--O 1.242 0.678 0 CA-C-N 114.989 -1.005 . . . . 0.15 110.028 -178.775 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 538' ' ' ILE . . . . . 0.661 HD11 ' CG ' ' A' ' 550' ' ' TYR . 65.0 mt -68.31 -33.46 60.63 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.789 0 CA-C-N 115.207 -0.906 . . . . 0.23 111.329 176.262 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 539' ' ' ASN . . . . . 0.452 ' HA ' HD11 ' A' ' 615' ' ' ILE . 8.8 m120 -58.48 -26.55 63.53 Favored 'General case' 0 CA--C 1.515 -0.401 0 N-CA-C 110.595 -0.15 . . . . 0.25 110.595 176.924 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 540' ' ' LEU . . . . . 0.503 HD11 HD12 ' A' ' 588' ' ' LEU . 83.4 mt -75.62 -42.55 51.43 Favored 'General case' 0 C--N 1.324 -0.529 0 C-N-CA 120.45 -0.5 . . . . 0.27 109.762 173.005 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 541' ' ' GLY . . . . . 0.513 ' HA2' ' SD ' ' A' ' 572' ' ' MET . . . -65.16 -52.5 40.51 Favored Glycine 0 CA--C 1.523 0.558 0 N-CA-C 115.483 0.953 . . . . 0.19 115.483 -178.779 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 542' ' ' LEU . . . . . 0.515 HD23 ' H ' ' A' ' 547' ' ' VAL . 45.5 mt -56.25 -47.25 99.24 Favored Pre-proline 0 C--N 1.321 -0.649 0 N-CA-C 114.931 1.456 . . . . 0.2 114.931 -168.444 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 543' ' ' PRO . . . . . 0.408 ' HG3' HD13 ' A' ' 615' ' ' ILE . 50.4 Cg_exo -59.85 -26.31 81.93 Favored 'Trans proline' 0 C--N 1.348 0.549 0 C-N-CA 122.096 1.864 . . . . 0.23 113.609 -177.114 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 544' ' ' PHE . . . . . 0.464 ' HB2' ' HE2' ' A' ' 572' ' ' MET . 96.6 m-85 -97.92 -15.09 20.3 Favored 'General case' 0 C--N 1.332 -0.192 0 O-C-N 122.207 -0.308 . . . . 0.33 111.321 177.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 545' ' ' GLY . . . . . 0.475 ' O ' ' HA ' ' A' ' 542' ' ' LEU . . . 176.21 151.57 8.93 Favored Glycine 0 N--CA 1.449 -0.446 0 C-N-CA 120.793 -0.718 . . . . 0.44 112.039 -178.751 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 546' ' ' LYS . . . . . . . . . . . . . 38.3 ttpt -66.24 128.89 37.9 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 120.962 0.41 . . . . 2.07 110.852 -177.138 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 547' ' ' VAL . . . . . 0.615 HG21 HG23 ' A' ' 538' ' ' ILE . 70.3 t -86.94 115.25 27.44 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 CA-C-N 115.73 -0.668 . . . . 0.2 110.359 178.352 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 548' ' ' THR . . . . . . . . . . . . . 24.2 p -94.73 -34.6 12.47 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 116.075 -0.511 . . . . 0.31 111.427 -179.619 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 549' ' ' ASN . . . . . 0.462 ' HB2' ' CB ' ' A' ' 562' ' ' GLU . 17.7 m120 -143.5 156.51 44.64 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.069 -0.514 . . . . 1.26 110.183 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 550' ' ' TYR . . . . . 0.661 ' CG ' HD11 ' A' ' 538' ' ' ILE . 7.1 p90 -160.79 152.78 19.97 Favored 'General case' 0 C--N 1.319 -0.729 0 N-CA-C 109.559 -0.534 . . . . 0.31 109.559 -178.927 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 551' ' ' ILE . . . . . 0.56 ' HB ' ' HB2' ' A' ' 560' ' ' PHE . 70.7 mt -143.77 124.99 10.3 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 N-CA-C 108.336 -0.987 . . . . 0.22 108.336 -176.684 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 552' ' ' LEU . . . . . 0.545 HD11 ' N ' ' A' ' 534' ' ' GLU . 22.2 mt -106.7 125.65 51.27 Favored 'General case' 0 C--N 1.313 -0.98 0 C-N-CA 119.76 -0.776 . . . . 0.43 110.179 179.439 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 553' ' ' MET . . . . . 0.427 ' SD ' ' HE2' ' A' ' 560' ' ' PHE . 34.0 mtp -107.96 79.68 1.3 Allowed 'General case' 0 C--N 1.316 -0.88 0 N-CA-C 108.185 -1.043 . . . . 1.03 108.185 179.917 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 554' ' ' LYS . . . . . 0.423 ' HG2' ' H ' ' A' ' 554' ' ' LYS . 23.9 mmtp -54.45 -29.87 50.97 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 114.828 -1.078 . . . . 1.03 112.712 176.52 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 555' ' ' SER . . . . . . . . . . . . . 64.1 p -68.94 -41.97 77.36 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 120.665 0.269 . . . . 0.51 111.55 -173.679 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 556' ' ' THR . . . . . . . . . . . . . 42.5 p -103.42 6.8 37.91 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 112.048 0.388 . . . . 0.45 112.048 -176.66 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 557' ' ' ASN . . . . . 0.455 ' HB3' ' O ' ' A' ' 527' ' ' LEU . 2.5 m-20 59.01 39.31 23.63 Favored 'General case' 0 N--CA 1.467 0.408 0 CA-C-O 121.767 0.794 . . . . 1.28 110.021 -176.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 558' ' ' GLN . . . . . . . . . . . . . 63.9 mt-30 -132.48 167.91 19.12 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 114.985 -1.007 . . . . 0.84 109.304 -176.272 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 559' ' ' ALA . . . . . 0.41 ' HB1' HD23 ' A' ' 552' ' ' LEU . . . -158.84 165.18 34.82 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.154 0.502 . . . . 0.16 111.804 176.476 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 560' ' ' PHE . . . . . 0.56 ' HB2' ' HB ' ' A' ' 551' ' ' ILE . 91.8 m-85 -120.34 150.05 41.35 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.753 -0.658 . . . . 0.35 110.485 174.474 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 561' ' ' LEU . . . . . 0.637 ' O ' ' HB ' ' A' ' 522' ' ' VAL . 56.0 tp -137.42 118.78 14.68 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.752 -0.658 . . . . 0.2 110.055 -179.467 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 562' ' ' GLU . . . . . 0.462 ' CB ' ' HB2' ' A' ' 549' ' ' ASN . 0.0 OUTLIER -102.83 136.78 42.02 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.383 0.611 . . . . 2.09 110.276 177.801 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 563' ' ' MET . . . . . 0.579 ' SD ' ' HA ' ' A' ' 569' ' ' ALA . 33.1 mtt -121.07 164.76 16.31 Favored 'General case' 0 C--N 1.313 -0.984 0 CA-C-N 115.211 -0.904 . . . . 0.39 109.895 -170.408 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 564' ' ' ALA . . . . . . . . . . . . . . . -59.61 -44.31 93.46 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 117.947 0.34 . . . . 0.5 111.844 -175.565 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 565' ' ' TYR . . . . . . . . . . . . . 75.2 m-85 -142.59 162.63 34.96 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.004 0.431 . . . . 1.15 111.673 -178.73 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 566' ' ' THR . . . . . . . . . . . . . 9.8 t -60.09 -27.61 67.14 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.446 -0.797 . . . . 0.57 111.407 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 567' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -60.49 -32.65 71.63 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-N 116.172 -0.467 . . . . 0.89 111.071 179.348 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 568' ' ' ALA . . . . . 0.671 ' O ' ' HG3' ' A' ' 572' ' ' MET . . . -73.56 -42.54 61.52 Favored 'General case' 0 N--CA 1.451 -0.383 0 CA-C-N 115.96 -0.564 . . . . 0.26 109.879 179.71 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 569' ' ' ALA . . . . . 0.579 ' HA ' ' SD ' ' A' ' 563' ' ' MET . . . -63.2 -45.18 92.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.959 -0.564 . . . . 0.24 111.182 -176.743 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 570' ' ' GLN . . . . . . . . . . . . . 17.2 pt20 -67.29 -36.21 81.06 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.268 -0.424 . . . . 1.24 110.424 -178.578 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 571' ' ' ALA . . . . . . . . . . . . . . . -65.03 -45.5 85.2 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.272 -0.422 . . . . 0.31 110.85 178.292 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 572' ' ' MET . . . . . 0.671 ' HG3' ' O ' ' A' ' 568' ' ' ALA . 28.4 mtt -69.39 -45.75 68.52 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.365 -0.379 . . . . 0.47 110.961 -178.018 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 573' ' ' VAL . . . . . 0.571 ' O ' ' HG3' ' A' ' 577' ' ' GLN . 75.1 t -59.49 -46.46 92.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 N-CA-C 110.488 -0.19 . . . . 0.34 110.488 -178.404 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 574' ' ' GLN . . . . . . . . . . . . . 16.3 mm100 -62.02 -38.88 90.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.772 0.32 . . . . 2.09 110.89 177.809 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 575' ' ' TYR . . . . . . . . . . . . . 78.1 t80 -68.73 -52.32 31.91 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.026 -0.534 . . . . 0.48 110.75 -176.799 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 576' ' ' TYR . . . . . 0.533 ' CD2' HD12 ' A' ' 590' ' ' ILE . 83.6 m-85 -74.75 -13.13 60.56 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 112.91 0.708 . . . . 0.36 112.91 -176.27 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 577' ' ' GLN . . . . . 0.571 ' HG3' ' O ' ' A' ' 573' ' ' VAL . 43.0 mt-30 -71.7 -42.3 67.57 Favored 'General case' 0 C--N 1.325 -0.47 0 C-N-CA 120.227 -0.589 . . . . 1.89 109.596 171.132 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 578' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -86.12 -37.97 18.23 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.148 -0.478 . . . . 2.14 111.204 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 579' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -130.11 84.97 58.64 Favored Pre-proline 0 C--N 1.327 -0.412 0 CA-C-N 116.486 -0.324 . . . . 2.46 110.174 177.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 580' ' ' PRO . . . . . . . . . . . . . 39.5 Cg_endo -66.32 160.6 44.53 Favored 'Trans proline' 0 C--O 1.231 0.133 0 C-N-CA 122.843 2.362 . . . . 0.37 112.307 -178.647 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 581' ' ' ALA . . . . . 0.4 ' O ' ' HG ' ' A' ' 588' ' ' LEU . . . -91.35 135.21 33.98 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 109.761 -0.459 . . . . 0.27 109.761 179.923 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 582' ' ' ILE . . . . . . . . . . . . . 23.7 mt -100.34 119.65 48.72 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.939 0 CA-C-N 116.529 -0.305 . . . . 0.51 111.094 -174.668 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 583' ' ' ILE . . . . . 0.445 HG13 HD11 ' A' ' 588' ' ' LEU . 31.4 mm -126.53 113.19 32.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 N-CA-C 109.235 -0.654 . . . . 0.51 109.235 173.78 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 584' ' ' ASN . . . . . . . . . . . . . 94.4 m-20 59.27 33.01 22.39 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-O 121.242 0.544 . . . . 1.1 110.296 -177.295 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 585' ' ' GLY . . . . . . . . . . . . . . . 81.37 5.57 89.9 Favored Glycine 0 N--CA 1.445 -0.702 0 CA-C-N 115.556 -0.747 . . . . 0.44 112.98 179.341 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 586' ' ' GLU . . . . . . . . . . . . . 9.1 mm-40 -101.1 125.84 47.75 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.773 0.287 . . . . 1.79 110.531 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 587' ' ' LYS . . . . . . . . . . . . . 33.6 mmtp -76.34 115.87 16.49 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.854 -0.612 . . . . 1.67 110.957 177.657 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 588' ' ' LEU . . . . . 0.503 HD12 HD11 ' A' ' 540' ' ' LEU . 50.2 mt -80.6 135.83 36.13 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.167 -0.469 . . . . 0.24 110.719 179.106 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 589' ' ' LEU . . . . . 0.503 ' HB3' ' SG ' ' A' ' 525' ' ' CYS . 53.0 tp -113.6 118.6 34.86 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.764 -0.653 . . . . 0.38 110.494 -179.646 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 590' ' ' ILE . . . . . 0.533 HD12 ' CD2' ' A' ' 576' ' ' TYR . 18.6 mt -100.19 128.59 52.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 N-CA-C 109.778 -0.453 . . . . 0.26 109.778 175.879 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 591' ' ' ARG . . . . . . . . . . . . . 18.2 mmm180 -142.97 153.0 42.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.507 -0.315 . . . . 2.62 110.826 -173.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 592' ' ' MET . . . . . . . . . . . . . 58.8 mtt -83.14 132.05 35.11 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 109.855 -0.424 . . . . 0.34 109.855 175.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 593' ' ' SER . . . . . . . . . . . . . 49.9 m -77.69 137.11 38.33 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 121.538 0.685 . . . . 1.37 112.4 -176.099 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 594' ' ' THR . . . . . . . . . . . . . 21.1 p -91.82 -14.58 29.55 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 114.495 -1.229 . . . . 0.38 111.832 179.78 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 595' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -101.38 -27.88 12.9 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 112.265 0.469 . . . . 2.75 112.265 -169.371 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 596' ' ' TYR . . . . . 0.434 ' CB ' HG21 ' A' ' 521' ' ' VAL . 77.0 m-85 -120.44 155.4 33.58 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 121.23 0.538 . . . . 0.65 111.665 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 597' ' ' LYS . . . . . . . . . . . . . 15.4 mtmt -108.09 -28.45 9.52 Favored 'General case' 0 C--O 1.22 -0.492 0 CA-C-N 114.988 -1.005 . . . . 2.18 110.904 -178.46 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 598' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -142.39 149.29 39.16 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 120.986 0.422 . . . . 0.95 110.77 -176.084 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 599' ' ' LEU . . . . . 0.902 HD21 HG13 ' A' ' 521' ' ' VAL . 48.8 mt -100.74 126.63 47.31 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.715 -0.675 . . . . 0.45 110.917 177.551 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 600' ' ' GLN . . . . . . . . . . . . . 13.8 pt20 -113.52 138.36 50.24 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.927 -0.579 . . . . 1.52 109.76 177.063 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 601' ' ' LEU . . . . . . . . . . . . . 65.6 mt -86.28 89.31 7.82 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 120.709 0.29 . . . . 0.46 111.201 -177.729 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 602' ' ' LYS . . . . . . . . . . . . . 14.5 mmmm -66.52 -27.23 67.6 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.599 0.714 . . . . 1.73 109.178 171.223 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 603' ' ' LYS . . . . . . . . . . . . . 34.6 mmtp . . . . . 0 C--N 1.324 -0.515 0 CA-C-N 115.06 -0.973 . . . . 1.69 108.867 173.908 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 607' ' ' ASN . . . . . . . . . . . . . 26.3 t-20 . . . . . 0 N--CA 1.456 -0.169 0 CA-C-O 121.128 0.49 . . . . 1.33 110.895 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 608' ' ' VAL . . . . . 0.562 HG11 ' HB ' ' A' ' 547' ' ' VAL . 68.8 t -87.11 -16.74 9.12 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-N 115.719 -0.673 . . . . 0.3 111.084 -175.27 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 609' ' ' ALA . . . . . . . . . . . . . . . -64.17 -34.64 78.53 Favored 'General case' 0 C--O 1.236 0.372 0 CA-C-O 121.264 0.554 . . . . 0.44 110.856 176.382 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 610' ' ' ALA . . . . . . . . . . . . . . . -63.92 -28.56 69.91 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.993 -0.549 . . . . 0.4 110.109 176.254 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 611' ' ' ILE . . . . . 0.415 ' HA ' ' OD1' ' A' ' 614' ' ' ASP . 77.0 mt -70.85 -30.89 43.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 115.766 -0.652 . . . . 0.25 109.642 178.765 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 612' ' ' ILE . . . . . 0.426 ' CG1' HD13 ' A' ' 542' ' ' LEU . 67.1 mt -60.28 -41.89 88.63 Favored 'Isoleucine or valine' 0 C--O 1.235 0.29 0 CA-C-O 121.301 0.572 . . . . 0.31 109.706 172.358 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 613' ' ' GLN . . . . . . . . . . . . . 30.6 mm-40 -64.38 -30.36 71.4 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.517 -0.765 . . . . 2.31 110.428 177.286 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 614' ' ' ASP . . . . . 0.415 ' OD1' ' HA ' ' A' ' 611' ' ' ILE . 37.3 m-20 -66.53 -42.98 86.39 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.808 -0.633 . . . . 1.95 110.359 177.608 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 615' ' ' ILE . . . . . 0.485 ' CD1' ' HB2' ' A' ' 542' ' ' LEU . 84.5 mt -63.39 -46.57 95.02 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.186 0 CA-C-O 121.233 0.54 . . . . 0.35 110.736 179.051 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 616' ' ' HIS . . . . . . . . . . . . . 48.5 m170 -63.23 -35.28 79.8 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.355 -0.839 . . . . 1.26 110.845 -178.491 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 617' ' ' SER . . . . . . . . . . . . . 38.7 m . . . . . 0 C--N 1.326 -0.422 0 CA-C-N 116.406 -0.361 . . . . 1.18 111.038 177.69 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 520' ' ' ARG . . . . . . . . . . . . . 16.5 mtm-85 . . . . . 0 N--CA 1.449 -0.481 0 CA-C-O 121.47 0.652 . . . . 2.22 111.9 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 521' ' ' VAL . . . . . 0.9 HG13 HD21 ' A' ' 599' ' ' LEU . 97.6 t -117.53 120.71 65.64 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.71 0 CA-C-N 114.888 -1.051 . . . . 0.32 109.778 170.134 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 522' ' ' VAL . . . . . 0.452 ' HB ' ' O ' ' A' ' 561' ' ' LEU . 24.5 t -120.86 122.31 67.47 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.933 0 N-CA-C 108.414 -0.958 . . . . 0.22 108.414 179.268 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 523' ' ' HIS . . . . . 0.414 ' HB2' ' OG ' ' A' ' 593' ' ' SER . 56.1 t-80 -105.31 131.21 53.04 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 121.183 0.516 . . . . 0.44 110.532 -175.497 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 524' ' ' ILE . . . . . 0.478 HG23 HG12 ' A' ' 590' ' ' ILE . 31.3 mt -111.4 138.85 38.17 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.908 0 CA-C-N 115.138 -0.937 . . . . 0.19 108.509 178.519 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 525' ' ' CYS . . . . . 0.501 ' SG ' ' HB3' ' A' ' 589' ' ' LEU . 1.6 p -140.73 164.78 29.28 Favored 'General case' 0 C--N 1.313 -1.013 0 C-N-CA 120.458 -0.497 . . . . 1.17 111.608 -175.923 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 526' ' ' ASN . . . . . 0.415 ' HB2' ' O ' ' A' ' 525' ' ' CYS . 77.8 m-20 86.46 27.24 0.05 OUTLIER 'General case' 0 N--CA 1.469 0.516 0 O-C-N 125.0 1.437 . . . . 0.26 110.11 176.791 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 527' ' ' LEU . . . . . 0.44 ' HB3' ' SG ' ' A' ' 532' ' ' CYS . 80.6 mt -87.21 123.83 69.34 Favored Pre-proline 0 C--N 1.324 -0.509 0 CA-C-N 115.258 -0.883 . . . . 0.25 108.794 178.373 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 528' ' ' PRO . . . . . 0.403 ' HD3' ' HA ' ' A' ' 527' ' ' LEU . 9.4 Cg_exo -72.04 135.35 25.08 Favored 'Trans proline' 0 N--CA 1.461 -0.393 0 C-N-CA 121.756 1.638 . . . . 0.38 111.751 179.766 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 529' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -64.94 138.61 58.47 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 109.242 -0.651 . . . . 1.6 109.242 176.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 530' ' ' GLY . . . . . . . . . . . . . . . 87.81 5.01 78.45 Favored Glycine 0 N--CA 1.446 -0.689 0 C-N-CA 119.944 -1.122 . . . . 0.48 110.926 -172.336 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 531' ' ' SER . . . . . . . . . . . . . 56.8 m -153.5 7.68 0.37 Allowed 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.03 0.443 . . . . 1.08 110.51 -176.557 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 532' ' ' CYS . . . . . 0.519 ' HB2' ' HD2' ' A' ' 554' ' ' LYS . 60.6 m -88.61 78.64 7.73 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 108.17 -1.048 . . . . 0.25 108.17 175.316 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 533' ' ' THR . . . . . 0.466 ' O ' HG23 ' A' ' 537' ' ' VAL . 29.1 p -95.7 153.03 17.94 Favored 'General case' 0 C--N 1.315 -0.905 0 C-N-CA 119.611 -0.836 . . . . 0.35 109.258 -176.062 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 534' ' ' GLU . . . . . 0.527 ' HA ' HD11 ' A' ' 552' ' ' LEU . 2.2 mp0 -63.93 -33.96 76.9 Favored 'General case' 0 C--N 1.318 -0.771 0 N-CA-C 108.789 -0.819 . . . . 1.64 108.789 176.489 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 535' ' ' ASN . . . . . . . . . . . . . 66.4 t30 -64.47 -50.02 69.1 Favored 'General case' 0 C--O 1.213 -0.868 0 CA-C-N 114.982 -1.008 . . . . 1.82 111.009 -176.362 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 536' ' ' ASP . . . . . . . . . . . . . 46.9 m-20 -69.96 -44.82 68.7 Favored 'General case' 0 N--CA 1.472 0.643 0 CA-C-O 121.345 0.593 . . . . 0.61 111.396 -171.677 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 537' ' ' VAL . . . . . 0.466 HG23 ' O ' ' A' ' 533' ' ' THR . 39.2 t -59.85 -48.12 88.89 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 CA-C-N 115.052 -0.976 . . . . 0.15 109.738 -178.902 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 538' ' ' ILE . . . . . 0.642 HD11 ' CG ' ' A' ' 550' ' ' TYR . 62.1 mt -68.93 -33.42 59.02 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.721 0 CA-C-N 115.21 -0.905 . . . . 0.23 111.84 176.664 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 539' ' ' ASN . . . . . 0.409 ' HA ' HD11 ' A' ' 615' ' ' ILE . 11.5 m120 -57.95 -27.67 63.62 Favored 'General case' 0 CA--C 1.51 -0.56 0 O-C-N 122.115 -0.365 . . . . 0.25 110.097 176.895 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 540' ' ' LEU . . . . . 0.475 HD11 HD12 ' A' ' 588' ' ' LEU . 81.8 mt -75.74 -41.93 51.91 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 109.916 -0.402 . . . . 0.27 109.916 174.545 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 541' ' ' GLY . . . . . 0.484 ' HA3' HD21 ' A' ' 561' ' ' LEU . . . -67.04 -52.71 30.81 Favored Glycine 0 CA--C 1.521 0.464 0 N-CA-C 115.537 0.975 . . . . 0.19 115.537 -178.929 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 542' ' ' LEU . . . . . 0.487 HD13 HG12 ' A' ' 612' ' ' ILE . 39.7 mt -56.17 -48.41 96.92 Favored Pre-proline 0 C--N 1.321 -0.647 0 N-CA-C 114.641 1.349 . . . . 0.2 114.641 -168.457 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 543' ' ' PRO . . . . . . . . . . . . . 48.6 Cg_exo -60.63 -24.5 78.63 Favored 'Trans proline' 0 C--N 1.347 0.455 0 C-N-CA 121.986 1.791 . . . . 0.23 113.565 -177.262 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 544' ' ' PHE . . . . . 0.443 ' HB2' ' HE2' ' A' ' 572' ' ' MET . 81.9 m-85 -99.17 -15.67 18.85 Favored 'General case' 0 C--O 1.235 0.325 0 O-C-N 121.851 -0.531 . . . . 0.33 111.25 177.335 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 545' ' ' GLY . . . . . 0.455 ' O ' ' HA ' ' A' ' 542' ' ' LEU . . . 178.74 152.54 10.52 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.691 -0.766 . . . . 0.44 112.651 -178.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 546' ' ' LYS . . . . . . . . . . . . . 62.4 tttp -65.44 124.01 21.15 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.09 0.471 . . . . 2.07 111.227 -178.343 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 547' ' ' VAL . . . . . 0.598 HG21 HG23 ' A' ' 538' ' ' ILE . 78.3 t -85.31 115.14 26.49 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.441 0 CA-C-N 115.507 -0.77 . . . . 0.2 110.39 177.335 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 548' ' ' THR . . . . . . . . . . . . . 22.4 p -93.78 -35.96 12.51 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 116.301 -0.409 . . . . 0.31 111.463 178.048 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 549' ' ' ASN . . . . . . . . . . . . . 92.4 m-20 -143.68 161.87 37.44 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.041 0.448 . . . . 1.26 110.685 178.81 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 550' ' ' TYR . . . . . 0.642 ' CG ' HD11 ' A' ' 538' ' ' ILE . 3.8 p90 -161.5 152.21 17.93 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.723 -0.671 . . . . 0.31 109.276 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 551' ' ' ILE . . . . . 0.525 ' HB ' ' HB2' ' A' ' 560' ' ' PHE . 49.5 mt -140.99 123.16 14.88 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 N-CA-C 108.372 -0.973 . . . . 0.22 108.372 -176.505 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 552' ' ' LEU . . . . . 0.527 HD11 ' HA ' ' A' ' 534' ' ' GLU . 20.6 mt -108.2 120.68 43.05 Favored 'General case' 0 C--N 1.316 -0.854 0 C-N-CA 120.082 -0.647 . . . . 0.43 111.063 -176.685 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 553' ' ' MET . . . . . 0.461 ' HE3' ' HB2' ' A' ' 558' ' ' GLN . 72.2 mtm -110.12 82.61 1.62 Allowed 'General case' 0 C--N 1.321 -0.662 0 C-N-CA 119.893 -0.723 . . . . 1.03 109.218 178.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 554' ' ' LYS . . . . . 0.519 ' HD2' ' HB2' ' A' ' 532' ' ' CYS . 23.0 mmtp -53.44 -28.8 32.11 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 114.839 -1.073 . . . . 1.03 112.136 174.099 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 555' ' ' SER . . . . . . . . . . . . . 60.7 p -70.41 -39.81 74.23 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 111.99 0.367 . . . . 0.51 111.99 -174.136 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 556' ' ' THR . . . . . . . . . . . . . 41.0 p -102.41 2.78 37.05 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 112.667 0.617 . . . . 0.45 112.667 -177.682 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 557' ' ' ASN . . . . . . . . . . . . . 4.2 m-20 59.21 39.1 23.16 Favored 'General case' 0 C--O 1.237 0.406 0 CA-C-O 121.708 0.766 . . . . 1.28 110.31 -175.573 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 558' ' ' GLN . . . . . 0.461 ' HB2' ' HE3' ' A' ' 553' ' ' MET . 70.4 mt-30 -140.34 165.1 28.31 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.231 -0.895 . . . . 0.84 109.648 -177.03 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 559' ' ' ALA . . . . . 0.414 ' HB1' HD23 ' A' ' 552' ' ' LEU . . . -157.68 165.98 34.02 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.104 0.478 . . . . 0.16 111.858 -177.603 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 560' ' ' PHE . . . . . 0.525 ' HB2' ' HB ' ' A' ' 551' ' ' ILE . 95.0 m-85 -119.31 149.84 41.13 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.97 -0.559 . . . . 0.35 110.721 176.606 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 561' ' ' LEU . . . . . 0.484 HD21 ' HA3' ' A' ' 541' ' ' GLY . 51.4 tp -136.65 119.5 16.28 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.891 -0.595 . . . . 0.2 110.198 -179.865 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 562' ' ' GLU . . . . . 0.543 ' HB2' HD12 ' A' ' 599' ' ' LEU . 33.3 tt0 -100.33 126.78 46.72 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.206 0.527 . . . . 2.09 110.527 178.8 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 563' ' ' MET . . . . . 0.625 ' SD ' ' HA ' ' A' ' 569' ' ' ALA . 33.2 mtt -115.45 150.1 37.0 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.34 -0.845 . . . . 0.39 109.416 -175.503 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 564' ' ' ALA . . . . . . . . . . . . . . . -76.24 -16.07 59.89 Favored 'General case' 0 C--N 1.328 -0.339 0 O-C-N 123.368 0.418 . . . . 0.5 111.977 -171.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 565' ' ' TYR . . . . . 0.503 ' HB3' ' HG2' ' A' ' 567' ' ' GLU . 79.7 m-85 -142.68 144.54 32.78 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.191 -0.459 . . . . 1.15 110.139 -179.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 566' ' ' THR . . . . . 0.409 ' O ' ' HG2' ' A' ' 570' ' ' GLN . 4.5 t -68.41 -26.6 65.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.737 -0.665 . . . . 0.57 110.059 -178.247 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 567' ' ' GLU . . . . . 0.52 ' HA ' HE21 ' A' ' 570' ' ' GLN . 8.9 pt-20 -57.22 -32.58 66.67 Favored 'General case' 0 C--N 1.334 -0.09 0 CA-C-N 115.663 -0.698 . . . . 0.89 110.428 175.336 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 568' ' ' ALA . . . . . 0.675 ' O ' ' HG3' ' A' ' 572' ' ' MET . . . -72.96 -43.62 62.06 Favored 'General case' 0 N--CA 1.448 -0.559 0 CA-C-N 116.034 -0.53 . . . . 0.26 110.044 -177.932 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 569' ' ' ALA . . . . . 0.625 ' HA ' ' SD ' ' A' ' 563' ' ' MET . . . -63.35 -46.88 84.51 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.783 -0.644 . . . . 0.24 111.357 -175.625 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 570' ' ' GLN . . . . . 0.52 HE21 ' HA ' ' A' ' 567' ' ' GLU . 23.5 pt20 -70.06 -36.18 74.78 Favored 'General case' 0 C--N 1.325 -0.485 0 C-N-CA 120.712 -0.395 . . . . 1.24 110.77 -179.266 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 571' ' ' ALA . . . . . . . . . . . . . . . -62.64 -43.95 97.5 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.541 0.21 . . . . 0.31 110.955 178.904 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 572' ' ' MET . . . . . 0.675 ' HG3' ' O ' ' A' ' 568' ' ' ALA . 30.6 mtt -65.47 -44.39 87.28 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 110.137 -0.32 . . . . 0.47 110.137 179.249 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 573' ' ' VAL . . . . . 0.583 HG23 ' O ' ' A' ' 569' ' ' ALA . 97.8 t -59.05 -47.02 91.36 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.494 -0.321 . . . . 0.34 110.14 177.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 574' ' ' GLN . . . . . 0.467 ' HG2' ' O ' ' A' ' 570' ' ' GLN . 31.0 mm-40 -61.49 -40.37 94.33 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.465 -0.334 . . . . 2.09 110.965 179.85 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 575' ' ' TYR . . . . . . . . . . . . . 84.3 t80 -68.65 -52.6 29.46 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.131 -0.486 . . . . 0.48 111.0 -179.017 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 576' ' ' TYR . . . . . 0.529 ' CE2' HD12 ' A' ' 590' ' ' ILE . 61.1 m-85 -72.71 -13.35 61.32 Favored 'General case' 0 N--CA 1.464 0.246 0 N-CA-C 112.804 0.668 . . . . 0.36 112.804 -176.518 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 577' ' ' GLN . . . . . 0.566 ' HG3' ' O ' ' A' ' 573' ' ' VAL . 93.8 mt-30 -68.77 -41.35 78.93 Favored 'General case' 0 C--N 1.326 -0.416 0 C-N-CA 120.341 -0.543 . . . . 1.89 109.658 169.671 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 578' ' ' GLU . . . . . . . . . . . . . 30.4 mm-40 -86.36 -38.95 16.92 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.824 -0.625 . . . . 2.14 111.123 179.876 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 579' ' ' LYS . . . . . 0.489 ' O ' ' HA ' ' A' ' 576' ' ' TYR . 26.7 mtpp -135.53 90.47 20.07 Favored Pre-proline 0 C--N 1.323 -0.568 0 CA-C-N 116.432 -0.349 . . . . 2.46 110.233 176.167 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 580' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_endo -64.78 160.74 39.23 Favored 'Trans proline' 0 N--CA 1.462 -0.35 0 C-N-CA 122.276 1.984 . . . . 0.37 111.608 177.884 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 581' ' ' ALA . . . . . 0.502 ' O ' ' HG ' ' A' ' 588' ' ' LEU . . . -91.06 130.26 36.98 Favored 'General case' 0 C--N 1.323 -0.587 0 N-CA-C 109.318 -0.623 . . . . 0.27 109.318 178.887 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 582' ' ' ILE . . . . . . . . . . . . . 48.8 mt -102.91 121.76 54.47 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.759 0 CA-C-O 120.736 0.303 . . . . 0.51 111.374 -172.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 583' ' ' ILE . . . . . . . . . . . . . 30.8 mm -127.96 113.7 31.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 N-CA-C 109.654 -0.499 . . . . 0.51 109.654 176.126 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 584' ' ' ASN . . . . . . . . . . . . . 86.3 m-20 58.14 33.77 23.5 Favored 'General case' 0 N--CA 1.467 0.415 0 CA-C-O 121.132 0.491 . . . . 1.1 110.578 -178.776 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 585' ' ' GLY . . . . . . . . . . . . . . . 84.02 3.83 88.85 Favored Glycine 0 N--CA 1.444 -0.791 0 CA-C-N 115.561 -0.745 . . . . 0.44 113.666 176.854 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 586' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -106.85 126.22 52.03 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 117.344 0.572 . . . . 1.79 110.473 177.801 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 587' ' ' LYS . . . . . . . . . . . . . 59.6 mttp -75.92 121.98 23.47 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.608 -0.724 . . . . 1.67 111.13 177.774 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 588' ' ' LEU . . . . . 0.502 ' HG ' ' O ' ' A' ' 581' ' ' ALA . 49.4 mt -80.74 137.26 36.26 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 116.028 -0.533 . . . . 0.24 110.821 -179.181 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 589' ' ' LEU . . . . . 0.501 ' HB3' ' SG ' ' A' ' 525' ' ' CYS . 56.0 tp -112.3 112.14 23.51 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.7 -0.682 . . . . 0.38 110.399 -179.251 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 590' ' ' ILE . . . . . 0.529 HD12 ' CE2' ' A' ' 576' ' ' TYR . 18.6 mt -104.91 118.91 53.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 116.254 -0.43 . . . . 0.26 110.104 177.08 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 591' ' ' ARG . . . . . . . . . . . . . 38.9 mtm180 -146.22 165.78 28.17 Favored 'General case' 0 N--CA 1.463 0.203 0 CA-C-O 120.67 0.271 . . . . 2.62 110.571 179.553 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 592' ' ' MET . . . . . . . . . . . . . 64.9 mtt -81.71 129.02 34.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.257 -0.429 . . . . 0.34 110.194 -176.126 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 593' ' ' SER . . . . . 0.414 ' OG ' ' HB2' ' A' ' 523' ' ' HIS . 28.0 m -69.21 136.42 52.01 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.35 0.595 . . . . 1.37 111.576 -177.182 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 594' ' ' THR . . . . . . . . . . . . . 22.9 p -90.53 -10.17 44.52 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 114.944 -1.025 . . . . 0.38 111.746 -177.278 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 595' ' ' ARG . . . . . . . . . . . . . 97.8 mtt180 -102.61 -28.62 12.04 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 112.561 0.578 . . . . 2.75 112.561 -172.14 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 596' ' ' TYR . . . . . . . . . . . . . 81.1 m-85 -125.68 146.1 49.88 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.198 0.523 . . . . 0.65 112.267 -173.637 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 597' ' ' LYS . . . . . . . . . . . . . 49.1 mtmt -109.6 -7.77 15.07 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.454 -0.793 . . . . 2.18 111.857 177.56 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 598' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -142.82 148.92 37.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.107 0.479 . . . . 0.95 110.943 177.33 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 599' ' ' LEU . . . . . 0.9 HD21 HG13 ' A' ' 521' ' ' VAL . 37.3 mt -107.14 122.22 46.06 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.396 -0.82 . . . . 0.45 111.06 174.832 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 600' ' ' GLN . . . . . . . . . . . . . 49.5 tt0 -113.07 119.34 37.51 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.389 -0.823 . . . . 1.52 110.363 -177.751 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 601' ' ' LEU . . . . . . . . . . . . . 30.5 mt -79.32 78.08 5.83 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.986 0.422 . . . . 0.46 111.0 179.538 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 602' ' ' LYS . . . . . . . . . . . . . 56.7 mtmt -68.98 -20.24 64.17 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.812 -0.631 . . . . 1.73 109.901 176.351 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 603' ' ' LYS . . . . . . . . . . . . . 33.6 mmtp . . . . . 0 C--N 1.324 -0.514 0 N-CA-C 108.768 -0.827 . . . . 1.69 108.768 171.535 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 607' ' ' ASN . . . . . . . . . . . . . 28.5 t-20 . . . . . 0 C--O 1.233 0.233 0 CA-C-O 121.149 0.5 . . . . 1.33 111.779 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 608' ' ' VAL . . . . . 0.551 HG11 ' HB ' ' A' ' 547' ' ' VAL . 93.2 t -88.1 -24.79 6.08 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.429 0 CA-C-N 115.607 -0.724 . . . . 0.3 111.898 -175.465 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 609' ' ' ALA . . . . . . . . . . . . . . . -61.14 -36.63 80.28 Favored 'General case' 0 C--O 1.237 0.426 0 CA-C-O 121.384 0.611 . . . . 0.44 110.956 178.482 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 610' ' ' ALA . . . . . . . . . . . . . . . -61.82 -28.22 69.32 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.794 -0.639 . . . . 0.4 110.305 176.227 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 611' ' ' ILE . . . . . 0.438 ' CD1' HD12 ' A' ' 538' ' ' ILE . 72.6 mt -71.88 -32.2 43.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 115.575 -0.739 . . . . 0.25 110.015 178.929 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 612' ' ' ILE . . . . . 0.487 HG12 HD13 ' A' ' 542' ' ' LEU . 48.8 mt -60.5 -44.72 97.07 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.244 0 CA-C-O 121.248 0.547 . . . . 0.31 109.677 175.189 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 613' ' ' GLN . . . . . . . . . . . . . 12.5 mm100 -68.45 -29.46 68.11 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.71 -0.677 . . . . 2.31 110.19 177.614 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 614' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -65.65 -41.12 92.93 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.533 -0.758 . . . . 1.95 109.672 177.269 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 615' ' ' ILE . . . . . 0.45 ' CD1' ' HB2' ' A' ' 542' ' ' LEU . 88.5 mt -61.02 -43.71 96.7 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.168 0 CA-C-O 121.009 0.433 . . . . 0.35 110.3 174.768 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 616' ' ' HIS . . . . . . . . . . . . . 81.3 m-70 -63.37 -26.22 68.65 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.685 -0.688 . . . . 1.26 110.909 177.769 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 617' ' ' SER . . . . . . . . . . . . . 34.7 m . . . . . 0 C--N 1.325 -0.475 0 CA-C-N 116.256 -0.429 . . . . 1.18 110.86 174.626 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 520' ' ' ARG . . . . . . . . . . . . . 15.8 mtm-85 . . . . . 0 N--CA 1.45 -0.448 0 CA-C-O 120.767 0.318 . . . . 2.22 110.262 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 521' ' ' VAL . . . . . 0.718 HG13 HD21 ' A' ' 599' ' ' LEU . 63.5 t -118.65 120.41 64.08 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 CA-C-N 116.087 -0.506 . . . . 0.32 110.418 168.743 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 522' ' ' VAL . . . . . 0.547 ' HB ' ' O ' ' A' ' 561' ' ' LEU . 26.1 t -120.27 122.11 67.44 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.867 0 N-CA-C 107.753 -1.203 . . . . 0.22 107.753 175.693 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 523' ' ' HIS . . . . . 0.413 ' HB2' ' OG ' ' A' ' 593' ' ' SER . 59.4 t-80 -105.44 133.56 49.99 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 121.096 0.474 . . . . 0.44 110.585 -173.21 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 524' ' ' ILE . . . . . 0.438 HG23 HG12 ' A' ' 590' ' ' ILE . 23.0 mt -110.9 137.33 43.81 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.907 0 N-CA-C 108.445 -0.946 . . . . 0.19 108.445 177.092 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 525' ' ' CYS . . . . . 0.437 ' O ' ' HB2' ' A' ' 526' ' ' ASN . 0.0 OUTLIER -132.47 158.39 42.17 Favored 'General case' 0 C--N 1.316 -0.881 0 C-N-CA 120.665 -0.414 . . . . 1.17 110.97 -172.761 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 526' ' ' ASN . . . . . 0.437 ' HB2' ' O ' ' A' ' 525' ' ' CYS . 84.8 m-20 84.94 29.29 0.06 Allowed 'General case' 0 N--CA 1.469 0.476 0 O-C-N 124.748 1.28 . . . . 0.26 110.913 172.555 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 527' ' ' LEU . . . . . 0.457 ' HB3' ' SG ' ' A' ' 532' ' ' CYS . 80.2 mt -85.03 123.3 73.75 Favored Pre-proline 0 C--N 1.323 -0.546 0 N-CA-C 109.111 -0.7 . . . . 0.25 109.111 177.643 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 528' ' ' PRO . . . . . 0.413 ' HD3' ' HA ' ' A' ' 527' ' ' LEU . 3.1 Cg_exo -75.04 134.68 18.03 Favored 'Trans proline' 0 N--CA 1.459 -0.519 0 C-N-CA 121.841 1.694 . . . . 0.38 111.824 179.05 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 529' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -65.3 139.59 58.61 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 109.499 -0.556 . . . . 1.6 109.499 175.455 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 530' ' ' GLY . . . . . . . . . . . . . . . 90.54 4.71 70.11 Favored Glycine 0 N--CA 1.444 -0.785 0 N-CA-C 110.592 -1.003 . . . . 0.48 110.592 -171.25 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 531' ' ' SER . . . . . . . . . . . . . 66.7 m -156.14 2.4 0.16 Allowed 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.142 0.496 . . . . 1.08 110.212 -174.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 532' ' ' CYS . . . . . 0.489 ' HB2' ' HD2' ' A' ' 554' ' ' LYS . 69.9 m -85.84 79.08 9.38 Favored 'General case' 0 CA--C 1.51 -0.559 0 N-CA-C 108.495 -0.928 . . . . 0.25 108.495 176.335 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 533' ' ' THR . . . . . 0.518 ' O ' HG23 ' A' ' 537' ' ' VAL . 33.6 p -96.4 151.15 19.82 Favored 'General case' 0 C--N 1.315 -0.897 0 C-N-CA 119.761 -0.776 . . . . 0.35 108.957 -178.819 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 534' ' ' GLU . . . . . 0.497 ' N ' HD11 ' A' ' 552' ' ' LEU . 42.7 mt-10 -65.8 -34.48 78.27 Favored 'General case' 0 C--N 1.316 -0.849 0 N-CA-C 108.831 -0.803 . . . . 1.64 108.831 176.226 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 535' ' ' ASN . . . . . . . . . . . . . 5.9 t-20 -64.84 -47.0 79.53 Favored 'General case' 0 C--O 1.216 -0.685 0 CA-C-N 114.626 -1.17 . . . . 1.82 111.159 -177.04 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 536' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -69.69 -44.21 70.91 Favored 'General case' 0 N--CA 1.477 0.921 0 CA-C-O 121.401 0.62 . . . . 0.61 111.408 -175.425 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 537' ' ' VAL . . . . . 0.518 HG23 ' O ' ' A' ' 533' ' ' THR . 46.5 t -59.74 -45.77 94.21 Favored 'Isoleucine or valine' 0 C--O 1.241 0.615 0 CA-C-N 115.037 -0.983 . . . . 0.15 109.779 179.777 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 538' ' ' ILE . . . . . 0.665 HG23 HG21 ' A' ' 547' ' ' VAL . 38.3 mt -68.05 -32.61 56.88 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.815 0 CA-C-N 115.124 -0.944 . . . . 0.23 111.385 174.609 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 539' ' ' ASN . . . . . 0.454 ' HA ' HD11 ' A' ' 615' ' ' ILE . 10.5 m120 -57.92 -27.45 63.36 Favored 'General case' 0 CA--C 1.514 -0.43 0 N-CA-C 110.231 -0.285 . . . . 0.25 110.231 176.291 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 540' ' ' LEU . . . . . 0.421 HD11 HD12 ' A' ' 588' ' ' LEU . 88.2 mt -75.58 -41.46 54.55 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 109.518 -0.549 . . . . 0.27 109.518 174.098 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 541' ' ' GLY . . . . . 0.502 ' CA ' HD21 ' A' ' 561' ' ' LEU . . . -66.52 -52.63 33.53 Favored Glycine 0 CA--C 1.525 0.718 0 N-CA-C 116.021 1.168 . . . . 0.19 116.021 -178.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 542' ' ' LEU . . . . . 0.546 ' HB2' ' CD1' ' A' ' 615' ' ' ILE . 51.3 mt -58.02 -45.42 99.77 Favored Pre-proline 0 C--N 1.321 -0.633 0 N-CA-C 114.981 1.474 . . . . 0.2 114.981 -168.131 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 543' ' ' PRO . . . . . 0.409 ' HG3' HG21 ' A' ' 615' ' ' ILE . 52.3 Cg_exo -59.7 -25.61 79.6 Favored 'Trans proline' 0 C--N 1.349 0.577 0 C-N-CA 122.053 1.835 . . . . 0.23 113.654 -177.221 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 544' ' ' PHE . . . . . 0.405 ' HB2' ' HE2' ' A' ' 572' ' ' MET . 92.8 m-85 -99.92 -15.65 18.27 Favored 'General case' 0 C--O 1.233 0.19 0 O-C-N 121.985 -0.447 . . . . 0.33 111.203 178.183 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 545' ' ' GLY . . . . . 0.506 ' O ' ' HA ' ' A' ' 542' ' ' LEU . . . 177.57 157.19 17.93 Favored Glycine 0 C--O 1.226 -0.395 0 C-N-CA 120.789 -0.72 . . . . 0.44 112.258 179.512 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 546' ' ' LYS . . . . . . . . . . . . . 66.5 tttm -66.11 126.84 29.91 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.926 0.393 . . . . 2.07 110.944 -179.299 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 547' ' ' VAL . . . . . 0.665 HG21 HG23 ' A' ' 538' ' ' ILE . 72.2 t -83.14 115.43 25.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-N 115.808 -0.633 . . . . 0.2 110.616 178.087 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 548' ' ' THR . . . . . . . . . . . . . 22.6 p -93.21 -35.51 13.09 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 116.095 -0.502 . . . . 0.31 111.606 178.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 549' ' ' ASN . . . . . 0.478 ' HB2' ' HB2' ' A' ' 562' ' ' GLU . 15.9 m120 -145.49 158.39 43.85 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.946 0.403 . . . . 1.26 110.782 -179.769 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 550' ' ' TYR . . . . . 0.574 ' CG ' HD11 ' A' ' 538' ' ' ILE . 5.3 p90 -161.59 150.3 15.74 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.803 -0.635 . . . . 0.31 109.8 -179.901 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 551' ' ' ILE . . . . . 0.452 ' HB ' ' HB2' ' A' ' 560' ' ' PHE . 66.9 mt -144.69 124.53 7.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 N-CA-C 108.551 -0.907 . . . . 0.22 108.551 -176.116 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 552' ' ' LEU . . . . . 0.497 HD11 ' N ' ' A' ' 534' ' ' GLU . 29.6 mt -106.97 121.16 43.9 Favored 'General case' 0 C--N 1.316 -0.872 0 C-N-CA 120.322 -0.551 . . . . 0.43 111.137 -177.862 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 553' ' ' MET . . . . . . . . . . . . . 67.2 mtm -109.11 82.32 1.58 Allowed 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 109.211 -0.663 . . . . 1.03 109.211 177.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 554' ' ' LYS . . . . . 0.489 ' HD2' ' HB2' ' A' ' 532' ' ' CYS . 23.9 mmtp -53.15 -29.4 31.08 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 114.677 -1.147 . . . . 1.03 112.873 175.726 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 555' ' ' SER . . . . . . . . . . . . . 65.1 p -67.72 -41.42 83.54 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.893 0.378 . . . . 0.51 111.274 -173.871 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 556' ' ' THR . . . . . 0.404 ' O ' ' HG3' ' A' ' 558' ' ' GLN . 44.0 p -99.3 1.44 44.55 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.325 -0.398 . . . . 0.45 111.821 -177.201 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 557' ' ' ASN . . . . . . . . . . . . . 13.1 m120 59.54 40.43 20.43 Favored 'General case' 0 N--CA 1.467 0.385 0 CA-C-O 121.694 0.759 . . . . 1.28 110.081 -175.462 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 558' ' ' GLN . . . . . 0.404 ' HG3' ' O ' ' A' ' 556' ' ' THR . 72.3 mt-30 -139.69 166.0 25.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.067 -0.969 . . . . 0.84 109.575 -176.069 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 559' ' ' ALA . . . . . . . . . . . . . . . -157.91 166.71 31.94 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.109 0.48 . . . . 0.16 112.173 -178.293 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 560' ' ' PHE . . . . . 0.452 ' HB2' ' HB ' ' A' ' 551' ' ' ILE . 97.7 m-85 -118.82 145.31 45.75 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.5 -0.773 . . . . 0.35 110.569 176.809 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 561' ' ' LEU . . . . . 0.547 ' O ' ' HB ' ' A' ' 522' ' ' VAL . 62.1 tp -136.62 119.45 16.25 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.065 -0.516 . . . . 0.2 110.348 179.758 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 562' ' ' GLU . . . . . 0.478 ' HB2' ' HB2' ' A' ' 549' ' ' ASN . 0.1 OUTLIER -101.17 135.82 42.03 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.844 -0.616 . . . . 2.09 110.307 178.72 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 563' ' ' MET . . . . . 0.61 ' SD ' ' HA ' ' A' ' 569' ' ' ALA . 35.1 mtt -124.45 149.02 47.26 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.541 -0.754 . . . . 0.39 109.101 -171.672 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 564' ' ' ALA . . . . . . . . . . . . . . . -71.32 -16.28 62.44 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.874 0.368 . . . . 0.5 111.722 -171.659 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 565' ' ' TYR . . . . . 0.469 ' HB3' ' HG2' ' A' ' 567' ' ' GLU . 98.7 m-85 -141.23 144.06 34.5 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 116.138 -0.483 . . . . 1.15 110.12 -178.094 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 566' ' ' THR . . . . . . . . . . . . . 6.8 t -67.62 -26.74 66.4 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.862 -0.608 . . . . 0.57 109.821 177.664 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 567' ' ' GLU . . . . . 0.469 ' HG2' ' HB3' ' A' ' 565' ' ' TYR . 12.0 pt-20 -58.25 -32.53 68.44 Favored 'General case' 0 C--N 1.334 -0.075 0 CA-C-N 115.596 -0.729 . . . . 0.89 110.449 176.02 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 568' ' ' ALA . . . . . 0.654 ' O ' ' HG3' ' A' ' 572' ' ' MET . . . -73.33 -42.96 61.67 Favored 'General case' 0 N--CA 1.449 -0.485 0 CA-C-N 115.846 -0.616 . . . . 0.26 109.876 -178.38 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 569' ' ' ALA . . . . . 0.61 ' HA ' ' SD ' ' A' ' 563' ' ' MET . . . -63.47 -46.1 87.75 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.841 -0.618 . . . . 0.24 111.045 -176.648 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 570' ' ' GLN . . . . . . . . . . . . . 13.5 pt20 -69.07 -35.97 77.12 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.124 -0.489 . . . . 1.24 110.59 -179.09 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 571' ' ' ALA . . . . . . . . . . . . . . . -63.58 -44.8 93.02 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-N 116.397 -0.365 . . . . 0.31 110.914 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 572' ' ' MET . . . . . 0.654 ' HG3' ' O ' ' A' ' 568' ' ' ALA . 34.7 mtt -64.5 -46.78 81.49 Favored 'General case' 0 CA--C 1.517 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.47 110.314 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 573' ' ' VAL . . . . . 0.659 ' O ' ' HG2' ' A' ' 577' ' ' GLN . 69.0 t -58.84 -48.17 87.07 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.285 0 C-N-CA 120.982 -0.287 . . . . 0.34 110.345 -179.44 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 574' ' ' GLN . . . . . . . . . . . . . 49.9 mt-30 -60.9 -38.73 86.71 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.797 0.332 . . . . 2.09 110.78 -179.874 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 575' ' ' TYR . . . . . . . . . . . . . 66.6 t80 -68.57 -52.45 31.6 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.934 -0.576 . . . . 0.48 110.749 -179.154 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 576' ' ' TYR . . . . . 0.592 ' CE2' HD12 ' A' ' 590' ' ' ILE . 61.3 m-85 -73.8 -13.58 60.96 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 112.652 0.612 . . . . 0.36 112.652 -176.918 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 577' ' ' GLN . . . . . 0.659 ' HG2' ' O ' ' A' ' 573' ' ' VAL . 15.9 mm-40 -64.56 -42.6 95.58 Favored 'General case' 0 C--N 1.331 -0.23 0 N-CA-C 109.166 -0.679 . . . . 1.89 109.166 171.219 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 578' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -91.92 -39.61 11.61 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.609 -0.723 . . . . 2.14 111.863 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 579' ' ' LYS . . . . . . . . . . . . . 94.6 mttt -129.51 85.67 58.13 Favored Pre-proline 0 C--N 1.328 -0.366 0 N-CA-C 110.142 -0.318 . . . . 2.46 110.142 178.39 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 580' ' ' PRO . . . . . . . . . . . . . 36.2 Cg_endo -65.71 160.67 42.43 Favored 'Trans proline' 0 CA--C 1.527 0.157 0 C-N-CA 122.604 2.202 . . . . 0.37 112.047 -179.623 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 581' ' ' ALA . . . . . 0.478 ' O ' ' HG ' ' A' ' 588' ' ' LEU . . . -90.82 130.33 36.8 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 109.465 -0.568 . . . . 0.27 109.465 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 582' ' ' ILE . . . . . . . . . . . . . 59.2 mt -105.46 121.3 57.45 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 CA-C-O 120.814 0.34 . . . . 0.51 111.711 -172.71 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 583' ' ' ILE . . . . . . . . . . . . . 33.2 mm -125.01 114.09 38.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 115.755 -0.657 . . . . 0.51 109.508 175.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 584' ' ' ASN . . . . . . . . . . . . . 67.7 m-20 58.63 32.7 22.44 Favored 'General case' 0 N--CA 1.469 0.485 0 CA-C-O 121.251 0.548 . . . . 1.1 110.225 -177.131 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 585' ' ' GLY . . . . . . . . . . . . . . . 83.76 3.17 89.61 Favored Glycine 0 N--CA 1.443 -0.842 0 CA-C-N 115.708 -0.678 . . . . 0.44 113.391 179.223 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 586' ' ' GLU . . . . . . . . . . . . . 8.6 mm-40 -101.13 125.46 47.75 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 117.262 0.531 . . . . 1.79 110.407 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 587' ' ' LYS . . . . . . . . . . . . . 95.7 mttt -76.47 116.35 17.07 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.72 -0.673 . . . . 1.67 111.413 177.854 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 588' ' ' LEU . . . . . 0.478 ' HG ' ' O ' ' A' ' 581' ' ' ALA . 43.8 mt -79.56 136.52 36.89 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.03 -0.532 . . . . 0.24 110.193 179.679 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 589' ' ' LEU . . . . . . . . . . . . . 41.4 tp -112.67 111.74 22.76 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 116.048 -0.523 . . . . 0.38 110.612 -179.233 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 590' ' ' ILE . . . . . 0.592 HD12 ' CE2' ' A' ' 576' ' ' TYR . 20.5 mt -102.0 118.93 49.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 N-CA-C 109.902 -0.407 . . . . 0.26 109.902 176.598 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 591' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -147.29 166.0 28.39 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.924 0.392 . . . . 2.62 110.688 -178.316 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 592' ' ' MET . . . . . . . . . . . . . 61.8 mtt -81.9 144.22 31.12 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.012 -0.54 . . . . 0.34 110.118 -177.002 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 593' ' ' SER . . . . . 0.413 ' OG ' ' HB2' ' A' ' 523' ' ' HIS . 20.0 m -94.14 137.82 32.89 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.666 0.746 . . . . 1.37 112.843 -172.334 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 594' ' ' THR . . . . . . . . . . . . . 18.1 p -91.78 -17.49 25.28 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 114.453 -1.249 . . . . 0.38 112.631 -177.166 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 595' ' ' ARG . . . . . . . . . . . . . 94.4 mtt180 -100.08 -28.99 12.77 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 112.395 0.517 . . . . 2.75 112.395 -167.633 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 596' ' ' TYR . . . . . . . . . . . . . 42.0 m-85 -124.46 149.3 46.96 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.989 0.423 . . . . 0.65 111.807 -178.37 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 597' ' ' LYS . . . . . . . . . . . . . 71.8 mmtt -109.55 -12.67 14.66 Favored 'General case' 0 C--O 1.222 -0.352 0 CA-C-N 115.564 -0.744 . . . . 2.18 111.839 179.89 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 598' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -142.84 151.9 41.6 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.079 0.466 . . . . 0.95 111.143 -177.3 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 599' ' ' LEU . . . . . 0.718 HD21 HG13 ' A' ' 521' ' ' VAL . 62.9 mt -116.24 122.8 46.04 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.428 -0.805 . . . . 0.45 110.675 176.31 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 600' ' ' GLN . . . . . . . . . . . . . 30.0 tt0 -112.6 132.77 54.98 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.737 -0.665 . . . . 1.52 110.0 178.059 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 601' ' ' LEU . . . . . 0.403 ' HG ' HD22 ' A' ' 549' ' ' ASN . 60.6 mt -82.17 92.95 6.97 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.913 0.387 . . . . 0.46 111.061 -179.415 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 602' ' ' LYS . . . . . . . . . . . . . 9.1 mtpm? -77.41 -17.74 57.88 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.096 0.474 . . . . 1.73 110.063 175.122 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 603' ' ' LYS . . . . . . . . . . . . . 34.7 mmtp . . . . . 0 C--N 1.325 -0.466 0 CA-C-N 115.775 -0.648 . . . . 1.69 109.737 177.663 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 607' ' ' ASN . . . . . . . . . . . . . 31.5 t30 . . . . . 0 C--O 1.233 0.194 0 CA-C-O 121.221 0.534 . . . . 1.33 111.067 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 608' ' ' VAL . . . . . 0.532 HG11 ' HB ' ' A' ' 547' ' ' VAL . 57.9 t -79.74 -21.14 12.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 115.505 -0.771 . . . . 0.3 110.885 -177.095 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 609' ' ' ALA . . . . . . . . . . . . . . . -66.1 -36.17 82.45 Favored 'General case' 0 C--O 1.236 0.377 0 CA-C-O 121.499 0.666 . . . . 0.44 110.705 176.745 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 610' ' ' ALA . . . . . . . . . . . . . . . -63.75 -26.87 68.84 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.741 -0.663 . . . . 0.4 109.999 177.813 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 611' ' ' ILE . . . . . 0.419 ' CD1' HD12 ' A' ' 538' ' ' ILE . 70.0 mt -70.56 -30.85 44.25 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.406 0 CA-C-N 115.393 -0.821 . . . . 0.25 109.714 177.825 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 612' ' ' ILE . . . . . 0.478 ' CG1' HD13 ' A' ' 542' ' ' LEU . 66.9 mt -60.5 -40.49 84.48 Favored 'Isoleucine or valine' 0 C--O 1.233 0.234 0 N-CA-C 109.526 -0.546 . . . . 0.31 109.526 172.312 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 613' ' ' GLN . . . . . . . . . . . . . 32.6 mm-40 -62.67 -34.66 77.55 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.806 -0.633 . . . . 2.31 110.274 175.825 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 614' ' ' ASP . . . . . . . . . . . . . 40.1 m-20 -66.26 -43.59 86.04 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.769 -0.651 . . . . 1.95 110.439 178.775 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 615' ' ' ILE . . . . . 0.546 ' CD1' ' HB2' ' A' ' 542' ' ' LEU . 88.3 mt -61.27 -44.74 98.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.364 -0.38 . . . . 0.35 110.668 177.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 616' ' ' HIS . . . . . . . . . . . . . 9.8 m-70 -63.03 -30.36 71.54 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.031 -0.531 . . . . 1.26 110.757 177.84 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 617' ' ' SER . . . . . . . . . . . . . 31.4 t . . . . . 0 C--N 1.326 -0.434 0 CA-C-N 115.939 -0.573 . . . . 1.18 110.775 178.199 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 520' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.45 -0.431 0 N-CA-C 109.591 -0.522 . . . . 2.22 109.591 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 521' ' ' VAL . . . . . 0.843 HG13 HD21 ' A' ' 599' ' ' LEU . 89.2 t -117.1 121.39 67.64 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.813 0 CA-C-N 115.784 -0.644 . . . . 0.32 110.733 172.04 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 522' ' ' VAL . . . . . . . . . . . . . 22.8 t -121.64 121.35 64.21 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.823 0 N-CA-C 108.546 -0.909 . . . . 0.22 108.546 179.521 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 523' ' ' HIS . . . . . . . . . . . . . 33.4 t-80 -106.19 134.05 49.93 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.093 0.473 . . . . 0.44 109.992 -176.179 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 524' ' ' ILE . . . . . 0.449 HG23 HG12 ' A' ' 590' ' ' ILE . 28.5 mt -111.75 143.02 22.38 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.963 0 N-CA-C 108.684 -0.858 . . . . 0.19 108.684 178.559 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 525' ' ' CYS . . . . . 0.584 ' SG ' ' HB3' ' A' ' 589' ' ' LEU . 7.6 p -139.7 164.28 30.34 Favored 'General case' 0 C--N 1.314 -0.938 0 C-N-CA 120.68 -0.408 . . . . 1.17 111.299 -178.114 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 526' ' ' ASN . . . . . 0.437 ' HB2' ' O ' ' A' ' 525' ' ' CYS . 83.9 m-20 86.9 27.38 0.04 OUTLIER 'General case' 0 N--CA 1.47 0.536 0 O-C-N 124.863 1.352 . . . . 0.26 110.706 174.766 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 527' ' ' LEU . . . . . . . . . . . . . 80.1 mt -84.26 124.18 74.26 Favored Pre-proline 0 C--N 1.325 -0.469 0 N-CA-C 109.011 -0.737 . . . . 0.25 109.011 177.161 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 528' ' ' PRO . . . . . . . . . . . . . 7.6 Cg_exo -71.99 135.2 24.9 Favored 'Trans proline' 0 N--CA 1.459 -0.522 0 C-N-CA 121.56 1.507 . . . . 0.38 111.614 -179.666 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 529' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -65.19 138.85 58.52 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 116.003 -0.544 . . . . 1.6 110.089 177.638 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 530' ' ' GLY . . . . . . . . . . . . . . . 85.9 5.15 84.05 Favored Glycine 0 N--CA 1.444 -0.799 0 C-N-CA 120.053 -1.07 . . . . 0.48 110.559 -173.726 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 531' ' ' SER . . . . . . . . . . . . . 57.7 m -150.53 6.7 0.56 Allowed 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.192 0.52 . . . . 1.08 110.176 -174.626 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 532' ' ' CYS . . . . . . . . . . . . . 62.0 m -87.94 86.03 7.08 Favored 'General case' 0 CA--C 1.515 -0.397 0 N-CA-C 109.132 -0.692 . . . . 0.25 109.132 177.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 533' ' ' THR . . . . . 0.539 ' O ' HG23 ' A' ' 537' ' ' VAL . 29.1 p -99.76 151.85 20.78 Favored 'General case' 0 N--CA 1.443 -0.803 0 C-N-CA 119.837 -0.745 . . . . 0.35 109.04 -178.661 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 534' ' ' GLU . . . . . 0.572 ' N ' HD11 ' A' ' 552' ' ' LEU . 48.0 mt-10 -66.13 -34.05 77.17 Favored 'General case' 0 C--N 1.317 -0.81 0 N-CA-C 108.539 -0.912 . . . . 1.64 108.539 175.029 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 535' ' ' ASN . . . . . . . . . . . . . 14.4 t-20 -61.14 -49.84 75.62 Favored 'General case' 0 C--O 1.219 -0.526 0 CA-C-N 114.272 -1.331 . . . . 1.82 112.12 -176.88 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 536' ' ' ASP . . . . . . . . . . . . . 12.5 m-20 -69.63 -44.2 71.15 Favored 'General case' 0 N--CA 1.472 0.658 0 CA-C-O 121.629 0.728 . . . . 0.61 111.058 -174.396 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 537' ' ' VAL . . . . . 0.539 HG23 ' O ' ' A' ' 533' ' ' THR . 33.2 t -60.08 -47.66 91.02 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.776 0 CA-C-N 114.528 -1.214 . . . . 0.15 109.75 -178.615 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 538' ' ' ILE . . . . . 0.617 HD11 ' CG ' ' A' ' 550' ' ' TYR . 66.6 mt -68.39 -34.06 63.77 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.664 0 CA-C-N 115.347 -0.842 . . . . 0.23 111.575 176.029 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 539' ' ' ASN . . . . . 0.579 ' HA ' HD11 ' A' ' 615' ' ' ILE . 11.2 m120 -58.31 -27.02 63.71 Favored 'General case' 0 CA--C 1.512 -0.513 0 C-N-CA 120.966 -0.294 . . . . 0.25 110.521 177.558 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 540' ' ' LEU . . . . . 0.506 HD11 HD12 ' A' ' 588' ' ' LEU . 83.0 mt -76.05 -42.01 48.92 Favored 'General case' 0 C--N 1.324 -0.533 0 C-N-CA 120.724 -0.39 . . . . 0.27 110.271 173.736 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 541' ' ' GLY . . . . . 0.559 ' CA ' HD21 ' A' ' 561' ' ' LEU . . . -61.13 -49.92 72.92 Favored Glycine 0 CA--C 1.523 0.593 0 N-CA-C 115.772 1.069 . . . . 0.19 115.772 179.87 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 542' ' ' LEU . . . . . 0.496 ' HA ' ' O ' ' A' ' 545' ' ' GLY . 74.8 mt -63.62 -41.3 64.89 Favored Pre-proline 0 C--N 1.319 -0.744 0 N-CA-C 115.219 1.563 . . . . 0.2 115.219 -168.541 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 543' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_exo -61.0 -26.82 83.84 Favored 'Trans proline' 0 CA--C 1.531 0.348 0 C-N-CA 121.565 1.51 . . . . 0.23 113.851 -179.026 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 544' ' ' PHE . . . . . 0.593 ' HB2' ' HE1' ' A' ' 572' ' ' MET . 86.1 m-85 -99.66 -15.16 18.65 Favored 'General case' 0 C--O 1.234 0.237 0 O-C-N 122.073 -0.392 . . . . 0.33 111.652 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 545' ' ' GLY . . . . . 0.496 ' O ' ' HA ' ' A' ' 542' ' ' LEU . . . -175.51 -174.42 42.08 Favored Glycine 0 C--O 1.223 -0.533 0 C-N-CA 120.704 -0.76 . . . . 0.44 112.454 -177.522 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 546' ' ' LYS . . . . . . . . . . . . . 39.9 ttpt -95.61 123.52 39.2 Favored 'General case' 0 C--N 1.32 -0.712 0 O-C-N 122.072 -0.664 . . . . 2.07 109.708 -178.569 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 547' ' ' VAL . . . . . 0.598 ' HB ' HG11 ' A' ' 608' ' ' VAL . 76.8 t -84.5 113.5 23.32 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-O 121.144 0.497 . . . . 0.2 110.323 177.063 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 548' ' ' THR . . . . . . . . . . . . . 21.9 p -95.06 -35.48 11.91 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 115.699 -0.682 . . . . 0.31 111.202 177.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 549' ' ' ASN . . . . . 0.494 ' OD1' HD11 ' A' ' 601' ' ' LEU . 94.7 m-20 -142.41 158.01 44.16 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.841 -0.618 . . . . 1.26 110.638 -178.136 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 550' ' ' TYR . . . . . 0.617 ' CG ' HD11 ' A' ' 538' ' ' ILE . 2.7 p90 -159.48 151.59 20.85 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.562 -0.744 . . . . 0.31 109.385 -179.078 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 551' ' ' ILE . . . . . 0.537 ' HB ' ' HB2' ' A' ' 560' ' ' PHE . 66.9 mt -144.27 123.88 7.66 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 N-CA-C 108.456 -0.942 . . . . 0.22 108.456 -175.924 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 552' ' ' LEU . . . . . 0.572 HD11 ' N ' ' A' ' 534' ' ' GLU . 22.2 mt -106.58 113.45 26.97 Favored 'General case' 0 C--N 1.316 -0.86 0 C-N-CA 119.954 -0.698 . . . . 0.43 110.404 -179.167 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 553' ' ' MET . . . . . 0.422 ' SD ' ' HE2' ' A' ' 560' ' ' PHE . 28.0 mtp -97.62 79.8 2.75 Favored 'General case' 0 C--N 1.319 -0.752 0 N-CA-C 108.113 -1.069 . . . . 1.03 108.113 -176.739 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 554' ' ' LYS . . . . . . . . . . . . . 28.9 mmtp -54.45 -29.22 48.85 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 114.794 -1.094 . . . . 1.03 113.104 177.859 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 555' ' ' SER . . . . . . . . . . . . . 67.4 p -69.17 -40.6 78.05 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 120.77 0.319 . . . . 0.51 111.313 -175.167 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 556' ' ' THR . . . . . . . . . . . . . 52.0 p -101.15 4.38 41.99 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 112.789 0.663 . . . . 0.45 112.789 -177.231 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 557' ' ' ASN . . . . . . . . . . . . . 2.6 m-20 58.78 39.93 23.59 Favored 'General case' 0 N--CA 1.469 0.523 0 CA-C-O 121.967 0.889 . . . . 1.28 109.907 -176.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 558' ' ' GLN . . . . . . . . . . . . . 26.7 mt-30 -137.89 169.29 18.04 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 114.763 -1.108 . . . . 0.84 109.367 -175.384 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 559' ' ' ALA . . . . . . . . . . . . . . . -157.95 165.27 35.59 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 118.036 0.38 . . . . 0.16 111.887 -178.828 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 560' ' ' PHE . . . . . 0.537 ' HB2' ' HB ' ' A' ' 551' ' ' ILE . 84.9 m-85 -119.06 149.48 41.59 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.235 -0.439 . . . . 0.35 110.475 173.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 561' ' ' LEU . . . . . 0.559 HD21 ' CA ' ' A' ' 541' ' ' GLY . 51.1 tp -138.42 119.65 14.66 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.542 -0.754 . . . . 0.2 110.052 -178.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 562' ' ' GLU . . . . . 0.549 ' HB2' HD12 ' A' ' 599' ' ' LEU . 29.3 tt0 -99.24 133.34 43.68 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.432 0.634 . . . . 2.09 110.846 -178.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 563' ' ' MET . . . . . 0.549 ' HE1' ' HG3' ' A' ' 572' ' ' MET . 10.0 mtt -120.57 144.13 48.25 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 114.91 -1.041 . . . . 0.39 109.423 -175.007 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 564' ' ' ALA . . . . . . . . . . . . . . . -67.44 -21.99 65.52 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 112.828 0.677 . . . . 0.5 112.828 -169.347 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 565' ' ' TYR . . . . . . . . . . . . . 77.9 m-85 -140.49 151.88 45.16 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 120.885 0.374 . . . . 1.15 110.271 178.369 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 566' ' ' THR . . . . . . . . . . . . . 14.0 t -65.84 -26.75 67.8 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.588 -0.733 . . . . 0.57 110.646 -177.637 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 567' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -56.21 -33.1 65.03 Favored 'General case' 0 C--O 1.233 0.194 0 CA-C-N 115.962 -0.563 . . . . 0.89 111.186 175.084 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 568' ' ' ALA . . . . . 0.761 ' O ' ' HG2' ' A' ' 572' ' ' MET . . . -73.6 -43.11 60.5 Favored 'General case' 0 N--CA 1.449 -0.519 0 CA-C-N 116.114 -0.494 . . . . 0.26 109.938 -175.831 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 569' ' ' ALA . . . . . 0.533 ' HA ' ' SD ' ' A' ' 563' ' ' MET . . . -62.03 -44.31 96.98 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.726 -0.67 . . . . 0.24 111.683 -175.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 570' ' ' GLN . . . . . 0.492 ' O ' ' HG2' ' A' ' 574' ' ' GLN . 9.3 pt20 -67.93 -36.01 79.41 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.386 -0.37 . . . . 1.24 110.443 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 571' ' ' ALA . . . . . . . . . . . . . . . -62.38 -39.65 93.89 Favored 'General case' 0 N--CA 1.454 -0.242 0 CA-C-N 116.315 -0.402 . . . . 0.31 110.693 177.91 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 572' ' ' MET . . . . . 0.761 ' HG2' ' O ' ' A' ' 568' ' ' ALA . 13.2 mmt -60.77 -49.57 76.97 Favored 'General case' 0 CA--C 1.519 -0.246 0 CA-C-N 116.048 -0.524 . . . . 0.47 109.739 177.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 573' ' ' VAL . . . . . . . . . . . . . 59.5 t -63.47 -47.63 90.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 115.57 -0.741 . . . . 0.34 110.626 -176.879 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 574' ' ' GLN . . . . . 0.492 ' HG2' ' O ' ' A' ' 570' ' ' GLN . 79.6 mm-40 -61.89 -39.45 92.0 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.759 0.314 . . . . 2.09 111.065 -178.497 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 575' ' ' TYR . . . . . . . . . . . . . 56.0 t80 -69.6 -53.42 18.91 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.273 -0.421 . . . . 0.48 110.908 -177.734 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 576' ' ' TYR . . . . . 0.562 ' CE2' HD12 ' A' ' 590' ' ' ILE . 63.1 m-85 -76.47 -13.19 60.12 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 113.146 0.795 . . . . 0.36 113.146 -173.872 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 577' ' ' GLN . . . . . . . . . . . . . 18.2 mm-40 -71.18 -40.73 71.05 Favored 'General case' 0 C--N 1.323 -0.55 0 C-N-CA 120.449 -0.5 . . . . 1.89 110.029 170.287 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 578' ' ' GLU . . . . . . . . . . . . . 18.8 mm-40 -87.11 -38.9 16.05 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.327 -0.397 . . . . 2.14 111.383 178.498 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 579' ' ' LYS . . . . . 0.462 ' O ' ' HA ' ' A' ' 576' ' ' TYR . 97.6 mttt -136.83 91.31 15.49 Favored Pre-proline 0 C--N 1.327 -0.407 0 N-CA-C 109.947 -0.39 . . . . 2.46 109.947 177.354 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 580' ' ' PRO . . . . . . . . . . . . . 36.6 Cg_endo -66.99 162.02 39.95 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.893 2.395 . . . . 0.37 112.542 -179.447 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 581' ' ' ALA . . . . . 0.537 ' HB2' ' CE1' ' A' ' 576' ' ' TYR . . . -90.25 129.06 36.54 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 109.691 -0.485 . . . . 0.27 109.691 179.717 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 582' ' ' ILE . . . . . . . . . . . . . 52.7 mt -98.71 119.9 47.33 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.703 0 CA-C-N 116.241 -0.436 . . . . 0.51 111.246 -172.515 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 583' ' ' ILE . . . . . 0.413 HG13 HD11 ' A' ' 588' ' ' LEU . 37.9 mm -123.45 112.17 32.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 N-CA-C 109.463 -0.569 . . . . 0.51 109.463 173.865 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 584' ' ' ASN . . . . . . . . . . . . . 80.3 m-20 57.58 33.68 23.57 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-O 121.342 0.591 . . . . 1.1 110.38 -178.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 585' ' ' GLY . . . . . . . . . . . . . . . 84.91 1.89 88.69 Favored Glycine 0 N--CA 1.444 -0.781 0 CA-C-N 115.398 -0.819 . . . . 0.44 113.499 179.624 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 586' ' ' GLU . . . . . . . . . . . . . 27.0 mm-40 -101.76 125.81 48.5 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 117.144 0.472 . . . . 1.79 110.806 -179.459 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 587' ' ' LYS . . . . . . . . . . . . . 50.8 mttp -74.28 117.57 16.24 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.494 -0.775 . . . . 1.67 110.989 176.757 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 588' ' ' LEU . . . . . 0.506 HD12 HD11 ' A' ' 540' ' ' LEU . 47.2 mt -79.57 134.17 36.47 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 109.991 -0.374 . . . . 0.24 109.991 176.817 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 589' ' ' LEU . . . . . 0.584 ' HB3' ' SG ' ' A' ' 525' ' ' CYS . 59.2 tp -111.59 111.36 22.31 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 115.991 -0.55 . . . . 0.38 110.088 -178.32 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 590' ' ' ILE . . . . . 0.562 HD12 ' CE2' ' A' ' 576' ' ' TYR . 17.4 mt -100.85 126.26 54.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 115.891 -0.595 . . . . 0.26 110.258 178.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 591' ' ' ARG . . . . . . . . . . . . . 71.3 mtp180 -145.82 159.7 42.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.25 -0.432 . . . . 2.62 109.89 -176.196 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 592' ' ' MET . . . . . . . . . . . . . 63.6 mtt -82.61 147.83 28.35 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 109.437 -0.579 . . . . 0.34 109.437 179.194 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 593' ' ' SER . . . . . . . . . . . . . 33.2 t -87.27 136.97 32.73 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.526 0.679 . . . . 1.37 111.57 -174.53 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 594' ' ' THR . . . . . . . . . . . . . 19.2 p -90.4 -14.19 33.46 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 114.861 -1.063 . . . . 0.38 110.943 177.619 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 595' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -102.99 -27.96 12.3 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 112.468 0.544 . . . . 2.75 112.468 -170.228 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 596' ' ' TYR . . . . . 0.444 ' HB3' HG21 ' A' ' 521' ' ' VAL . 53.4 m-85 -119.48 141.02 49.54 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.822 0.344 . . . . 0.65 111.785 -177.344 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 597' ' ' LYS . . . . . 0.493 ' N ' ' HD2' ' A' ' 597' ' ' LYS . 0.3 OUTLIER -108.76 -8.23 15.4 Favored 'General case' 0 CA--C 1.518 -0.287 0 CA-C-N 115.8 -0.637 . . . . 2.18 110.532 174.638 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 598' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 -146.43 148.92 32.79 Favored 'General case' 0 N--CA 1.449 -0.521 0 CA-C-O 121.11 0.481 . . . . 0.95 110.498 178.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 599' ' ' LEU . . . . . 0.843 HD21 HG13 ' A' ' 521' ' ' VAL . 37.8 mt -105.3 127.88 53.17 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.566 -0.743 . . . . 0.45 111.008 175.592 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 600' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -111.86 131.13 55.56 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.605 -0.725 . . . . 1.52 110.261 176.594 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 601' ' ' LEU . . . . . 0.589 ' HB3' ' O ' ' A' ' 603' ' ' LYS . 62.5 mt -83.33 101.51 11.36 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.131 -0.486 . . . . 0.46 111.266 -179.348 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 602' ' ' LYS . . . . . . . . . . . . . 28.3 mmtp -64.76 -26.81 68.51 Favored 'General case' 0 C--N 1.331 -0.223 0 N-CA-C 109.115 -0.698 . . . . 1.73 109.115 168.805 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 603' ' ' LYS . . . . . 0.589 ' O ' ' HB3' ' A' ' 601' ' ' LEU . 75.9 mmtt . . . . . 0 C--N 1.325 -0.483 0 CA-C-N 114.859 -1.064 . . . . 1.69 108.7 178.501 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 607' ' ' ASN . . . . . . . . . . . . . 23.8 t-20 . . . . . 0 C--O 1.232 0.141 0 CA-C-O 121.161 0.505 . . . . 1.33 111.086 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 608' ' ' VAL . . . . . 0.598 HG11 ' HB ' ' A' ' 547' ' ' VAL . 72.1 t -91.57 -21.07 6.53 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 CA-C-N 115.578 -0.737 . . . . 0.3 110.933 -176.526 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 609' ' ' ALA . . . . . . . . . . . . . . . -60.46 -35.64 76.35 Favored 'General case' 0 C--O 1.237 0.407 0 CA-C-O 121.381 0.61 . . . . 0.44 110.801 176.042 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 610' ' ' ALA . . . . . . . . . . . . . . . -65.02 -27.29 68.71 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.906 -0.588 . . . . 0.4 110.263 176.879 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 611' ' ' ILE . . . . . . . . . . . . . 74.9 mt -71.26 -30.55 40.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 115.819 -0.628 . . . . 0.25 109.534 178.36 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 612' ' ' ILE . . . . . 0.411 ' CG1' HD13 ' A' ' 542' ' ' LEU . 68.2 mt -60.9 -44.34 97.66 Favored 'Isoleucine or valine' 0 C--O 1.231 0.099 0 N-CA-C 109.573 -0.529 . . . . 0.31 109.573 172.526 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 613' ' ' GLN . . . . . . . . . . . . . 22.9 mt-30 -62.84 -32.29 73.47 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.31 0.576 . . . . 2.31 110.128 177.544 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 614' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -65.99 -44.55 84.5 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.162 -0.927 . . . . 1.95 110.23 177.906 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 615' ' ' ILE . . . . . 0.579 HD11 ' HA ' ' A' ' 539' ' ' ASN . 93.6 mt -62.35 -36.15 73.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.087 -0.506 . . . . 0.35 110.738 177.314 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 616' ' ' HIS . . . . . . . . . . . . . 11.9 m-70 -64.3 -34.87 79.12 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.337 -0.392 . . . . 1.26 110.605 177.583 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 617' ' ' SER . . . . . . . . . . . . . 27.3 m . . . . . 0 C--N 1.328 -0.341 0 CA-C-O 120.917 0.389 . . . . 1.18 110.947 177.712 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 520' ' ' ARG . . . . . . . . . . . . . 17.2 mtm-85 . . . . . 0 N--CA 1.452 -0.354 0 CA-C-O 121.326 0.584 . . . . 2.22 111.451 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 521' ' ' VAL . . . . . 0.712 HG13 HD21 ' A' ' 599' ' ' LEU . 92.3 t -117.38 121.75 68.32 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.697 0 CA-C-N 115.253 -0.885 . . . . 0.32 109.947 165.646 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 522' ' ' VAL . . . . . 0.557 ' HB ' ' O ' ' A' ' 561' ' ' LEU . 25.7 t -120.13 121.15 65.08 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.91 0 N-CA-C 107.856 -1.164 . . . . 0.22 107.856 176.364 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 523' ' ' HIS . . . . . . . . . . . . . 43.0 t-80 -105.84 132.17 52.29 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 121.283 0.563 . . . . 0.44 110.896 -171.008 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 524' ' ' ILE . . . . . 0.468 HG23 HG12 ' A' ' 590' ' ' ILE . 32.6 mt -114.02 141.83 28.78 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.944 0 N-CA-C 108.317 -0.994 . . . . 0.19 108.317 177.731 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 525' ' ' CYS . . . . . 0.603 ' SG ' ' HB3' ' A' ' 589' ' ' LEU . 5.4 p -142.18 167.65 21.61 Favored 'General case' 0 C--N 1.314 -0.95 0 C-N-CA 120.416 -0.514 . . . . 1.17 111.583 -178.117 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 526' ' ' ASN . . . . . 0.461 ' HB2' ' O ' ' A' ' 525' ' ' CYS . 86.8 m-20 86.14 28.65 0.04 OUTLIER 'General case' 0 N--CA 1.468 0.427 0 O-C-N 124.917 1.386 . . . . 0.26 110.189 176.87 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 527' ' ' LEU . . . . . 0.426 ' HB3' ' SG ' ' A' ' 532' ' ' CYS . 81.1 mt -89.88 122.61 67.73 Favored Pre-proline 0 C--N 1.323 -0.557 0 N-CA-C 108.438 -0.949 . . . . 0.25 108.438 176.455 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 528' ' ' PRO . . . . . . . . . . . . . 11.9 Cg_exo -70.56 133.66 24.6 Favored 'Trans proline' 0 N--CA 1.456 -0.696 0 C-N-CA 121.238 1.292 . . . . 0.38 111.305 179.858 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 529' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -65.75 129.5 39.99 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 109.278 -0.638 . . . . 1.6 109.278 177.222 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 530' ' ' GLY . . . . . . . . . . . . . . . 97.17 3.03 59.01 Favored Glycine 0 N--CA 1.441 -0.973 0 C-N-CA 120.249 -0.976 . . . . 0.48 110.743 -172.46 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 531' ' ' SER . . . . . . . . . . . . . 22.7 t -146.31 7.84 1.03 Allowed 'General case' 0 N--CA 1.451 -0.409 0 CA-C-O 121.202 0.525 . . . . 1.08 109.767 -179.686 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 532' ' ' CYS . . . . . 0.495 ' HB2' ' HD2' ' A' ' 554' ' ' LYS . 59.7 m -89.0 84.2 6.6 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 108.773 -0.825 . . . . 0.25 108.773 -179.472 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 533' ' ' THR . . . . . 0.443 ' O ' HG23 ' A' ' 537' ' ' VAL . 40.8 p -95.69 151.61 19.2 Favored 'General case' 0 N--CA 1.445 -0.703 0 C-N-CA 119.888 -0.725 . . . . 0.35 109.177 -177.768 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 534' ' ' GLU . . . . . 0.556 ' HA ' HD11 ' A' ' 552' ' ' LEU . 51.8 mt-10 -66.01 -34.46 78.13 Favored 'General case' 0 C--N 1.319 -0.756 0 N-CA-C 109.019 -0.734 . . . . 1.64 109.019 176.487 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 535' ' ' ASN . . . . . . . . . . . . . 4.9 m-20 -64.82 -48.94 72.59 Favored 'General case' 0 C--O 1.212 -0.874 0 CA-C-N 114.738 -1.119 . . . . 1.82 111.735 -177.088 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 536' ' ' ASP . . . . . . . . . . . . . 25.7 m-20 -69.32 -44.66 71.28 Favored 'General case' 0 N--CA 1.475 0.808 0 CA-C-N 118.602 0.637 . . . . 0.61 111.452 -172.723 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 537' ' ' VAL . . . . . 0.443 HG23 ' O ' ' A' ' 533' ' ' THR . 38.7 t -60.49 -48.05 90.08 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-N 115.178 -0.919 . . . . 0.15 109.914 -178.731 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 538' ' ' ILE . . . . . 0.637 HD11 ' CG ' ' A' ' 550' ' ' TYR . 70.6 mt -68.99 -33.37 58.61 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.744 0 CA-C-N 115.35 -0.841 . . . . 0.23 111.659 176.371 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 539' ' ' ASN . . . . . . . . . . . . . 11.6 m120 -57.82 -27.74 63.43 Favored 'General case' 0 CA--C 1.511 -0.536 0 N-CA-C 109.932 -0.395 . . . . 0.25 109.932 176.264 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 540' ' ' LEU . . . . . 0.466 HD11 HD12 ' A' ' 588' ' ' LEU . 87.6 mt -75.37 -40.81 57.62 Favored 'General case' 0 N--CA 1.445 -0.722 0 N-CA-C 109.796 -0.446 . . . . 0.27 109.796 175.407 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 541' ' ' GLY . . . . . 0.517 ' HA2' ' SD ' ' A' ' 572' ' ' MET . . . -68.81 -53.51 19.3 Favored Glycine 0 CA--C 1.526 0.73 0 N-CA-C 115.688 1.035 . . . . 0.19 115.688 -179.713 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 542' ' ' LEU . . . . . 0.525 ' HA ' ' O ' ' A' ' 545' ' ' GLY . 40.4 mt -55.28 -45.94 99.77 Favored Pre-proline 0 N--CA 1.472 0.63 0 N-CA-C 114.97 1.47 . . . . 0.2 114.97 -168.039 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 543' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -60.7 -25.53 81.16 Favored 'Trans proline' 0 C--N 1.347 0.46 0 C-N-CA 122.207 1.938 . . . . 0.23 113.366 -178.751 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 544' ' ' PHE . . . . . 0.453 ' HB2' ' HE2' ' A' ' 572' ' ' MET . 99.2 m-85 -98.77 -15.82 19.16 Favored 'General case' 0 C--N 1.331 -0.233 0 O-C-N 122.078 -0.388 . . . . 0.33 111.378 177.54 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 545' ' ' GLY . . . . . 0.525 ' O ' ' HA ' ' A' ' 542' ' ' LEU . . . 177.34 151.67 9.34 Favored Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 120.894 -0.67 . . . . 0.44 112.028 -179.668 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 546' ' ' LYS . . . . . . . . . . . . . 39.7 ttmt -66.33 128.39 35.97 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 120.974 0.416 . . . . 2.07 110.893 -178.308 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 547' ' ' VAL . . . . . 0.614 HG21 HG23 ' A' ' 538' ' ' ILE . 69.6 t -86.8 115.37 27.56 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 CA-C-N 115.87 -0.604 . . . . 0.2 110.341 178.879 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 548' ' ' THR . . . . . . . . . . . . . 25.5 p -93.91 -35.05 12.86 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.948 -0.569 . . . . 0.31 111.492 -179.51 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 549' ' ' ASN . . . . . 0.468 HD22 ' HG ' ' A' ' 601' ' ' LEU . 17.6 m120 -143.83 153.36 42.28 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.843 -0.617 . . . . 1.26 110.109 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 550' ' ' TYR . . . . . 0.637 ' CG ' HD11 ' A' ' 538' ' ' ILE . 6.1 p90 -156.09 151.43 26.76 Favored 'General case' 0 C--N 1.317 -0.809 0 N-CA-C 109.544 -0.539 . . . . 0.31 109.544 178.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 551' ' ' ILE . . . . . 0.487 ' HB ' ' HB2' ' A' ' 560' ' ' PHE . 43.1 mt -142.64 124.32 12.38 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 N-CA-C 108.619 -0.882 . . . . 0.22 108.619 -178.382 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 552' ' ' LEU . . . . . 0.556 HD11 ' HA ' ' A' ' 534' ' ' GLU . 20.2 mt -107.58 120.76 43.11 Favored 'General case' 0 C--N 1.317 -0.841 0 C-N-CA 120.388 -0.525 . . . . 0.43 111.282 -177.055 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 553' ' ' MET . . . . . . . . . . . . . 72.1 mtm -111.68 81.65 1.49 Allowed 'General case' 0 C--N 1.324 -0.503 0 C-N-CA 119.831 -0.748 . . . . 1.03 109.224 176.496 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 554' ' ' LYS . . . . . 0.495 ' HD2' ' HB2' ' A' ' 532' ' ' CYS . 1.0 OUTLIER -54.07 -28.71 40.61 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.192 -0.913 . . . . 1.03 111.968 173.841 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 555' ' ' SER . . . . . . . . . . . . . 63.6 p -69.13 -42.97 75.3 Favored 'General case' 0 N--CA 1.451 -0.419 0 CA-C-O 120.842 0.353 . . . . 0.51 111.159 -173.053 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 556' ' ' THR . . . . . 0.451 ' O ' ' HG3' ' A' ' 558' ' ' GLN . 41.6 p -98.37 4.72 48.56 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.359 -0.382 . . . . 0.45 111.815 -177.352 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 557' ' ' ASN . . . . . 0.472 ' N ' HD22 ' A' ' 557' ' ' ASN . 0.9 OUTLIER 59.45 39.13 22.3 Favored 'General case' 0 N--CA 1.468 0.473 0 CA-C-O 121.534 0.683 . . . . 1.28 110.259 -177.177 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 558' ' ' GLN . . . . . 0.451 ' HG3' ' O ' ' A' ' 556' ' ' THR . 76.4 mt-30 -140.99 164.35 30.51 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.177 -0.92 . . . . 0.84 109.861 -176.063 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 559' ' ' ALA . . . . . 0.446 ' HB1' HD23 ' A' ' 552' ' ' LEU . . . -158.06 165.48 34.94 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 121.2 0.524 . . . . 0.16 111.37 -179.692 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 560' ' ' PHE . . . . . 0.487 ' HB2' ' HB ' ' A' ' 551' ' ' ILE . 90.9 m-85 -120.28 145.96 46.56 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.717 -0.674 . . . . 0.35 110.754 178.057 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 561' ' ' LEU . . . . . 0.557 ' O ' ' HB ' ' A' ' 522' ' ' VAL . 50.7 tp -137.45 118.76 14.63 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.876 -0.602 . . . . 0.2 110.314 -178.659 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 562' ' ' GLU . . . . . 0.419 ' CB ' ' HB2' ' A' ' 549' ' ' ASN . 0.1 OUTLIER -104.07 136.43 43.72 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.15 -0.477 . . . . 2.09 109.834 176.67 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 563' ' ' MET . . . . . 0.641 ' SD ' ' HA ' ' A' ' 569' ' ' ALA . 26.7 mtt -121.27 163.74 18.09 Favored 'General case' 0 C--N 1.316 -0.889 0 CA-C-N 115.61 -0.723 . . . . 0.39 109.644 -171.578 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 564' ' ' ALA . . . . . . . . . . . . . . . -63.05 -43.46 98.57 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 118.398 0.545 . . . . 0.5 111.633 -172.866 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 565' ' ' TYR . . . . . 0.411 ' CB ' ' HG2' ' A' ' 567' ' ' GLU . 99.7 m-85 -131.58 158.75 40.17 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.298 -0.41 . . . . 1.15 110.654 -178.059 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 566' ' ' THR . . . . . . . . . . . . . 8.1 t -66.71 -27.26 67.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.773 -0.648 . . . . 0.57 110.349 -178.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 567' ' ' GLU . . . . . 0.411 ' HG2' ' CB ' ' A' ' 565' ' ' TYR . 12.5 pt-20 -57.13 -32.43 66.34 Favored 'General case' 0 C--O 1.232 0.135 0 CA-C-N 115.783 -0.644 . . . . 0.89 110.965 176.233 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 568' ' ' ALA . . . . . 0.682 ' O ' ' HG3' ' A' ' 572' ' ' MET . . . -72.92 -42.77 63.16 Favored 'General case' 0 N--CA 1.45 -0.447 0 CA-C-N 116.031 -0.531 . . . . 0.26 110.029 -177.438 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 569' ' ' ALA . . . . . 0.641 ' HA ' ' SD ' ' A' ' 563' ' ' MET . . . -62.74 -46.03 89.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.937 -0.574 . . . . 0.24 111.404 -176.231 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 570' ' ' GLN . . . . . . . . . . . . . 18.0 pt20 -69.4 -35.56 75.89 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.198 -0.455 . . . . 1.24 110.679 -178.236 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 571' ' ' ALA . . . . . . . . . . . . . . . -64.95 -43.47 92.58 Favored 'General case' 0 N--CA 1.455 -0.2 0 CA-C-N 116.273 -0.422 . . . . 0.31 110.931 178.716 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 572' ' ' MET . . . . . 0.682 ' HG3' ' O ' ' A' ' 568' ' ' ALA . 29.5 mtt -67.25 -44.03 80.43 Favored 'General case' 0 CA--C 1.516 -0.337 0 CA-C-N 116.385 -0.37 . . . . 0.47 110.481 179.881 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 573' ' ' VAL . . . . . 0.562 HG23 ' O ' ' A' ' 569' ' ' ALA . 82.3 t -58.2 -47.37 87.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 N-CA-C 110.004 -0.369 . . . . 0.34 110.004 179.778 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 574' ' ' GLN . . . . . . . . . . . . . 28.4 mm-40 -61.6 -36.94 82.16 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.534 -0.303 . . . . 2.09 111.208 179.256 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 575' ' ' TYR . . . . . . . . . . . . . 72.2 t80 -68.02 -53.07 28.56 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.303 -0.408 . . . . 0.48 110.756 179.24 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 576' ' ' TYR . . . . . 0.482 ' CD2' HD12 ' A' ' 590' ' ' ILE . 97.1 m-85 -74.81 -14.29 60.68 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 112.629 0.603 . . . . 0.36 112.629 -176.139 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 577' ' ' GLN . . . . . 0.541 ' HG2' ' O ' ' A' ' 573' ' ' VAL . 15.9 mm-40 -65.76 -42.9 90.32 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 109.66 -0.496 . . . . 1.89 109.66 169.895 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 578' ' ' GLU . . . . . . . . . . . . . 24.3 mm-40 -90.89 -39.08 12.5 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.443 -0.799 . . . . 2.14 111.946 -177.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 579' ' ' LYS . . . . . . . . . . . . . 64.3 mttp -129.77 86.97 53.7 Favored Pre-proline 0 C--N 1.325 -0.473 0 CA-C-O 120.82 0.343 . . . . 2.46 110.286 178.195 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 580' ' ' PRO . . . . . . . . . . . . . 55.9 Cg_endo -70.78 161.25 46.73 Favored 'Trans proline' 0 C--O 1.235 0.341 0 C-N-CA 122.656 2.237 . . . . 0.37 112.083 179.675 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 581' ' ' ALA . . . . . . . . . . . . . . . -93.14 136.55 33.3 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 109.127 -0.694 . . . . 0.27 109.127 178.835 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 582' ' ' ILE . . . . . . . . . . . . . 55.2 mt -105.84 124.87 61.24 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.787 0 C-N-CA 120.811 -0.355 . . . . 0.51 111.177 -175.523 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 583' ' ' ILE . . . . . . . . . . . . . 28.2 mm -129.77 114.21 29.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 116.069 -0.514 . . . . 0.51 109.869 177.33 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 584' ' ' ASN . . . . . . . . . . . . . 93.6 m-20 55.24 34.73 23.38 Favored 'General case' 0 N--CA 1.468 0.444 0 CA-C-O 121.202 0.525 . . . . 1.1 111.209 -178.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 585' ' ' GLY . . . . . . . . . . . . . . . 86.59 0.56 86.19 Favored Glycine 0 N--CA 1.448 -0.553 0 CA-C-N 115.682 -0.69 . . . . 0.44 113.414 177.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 586' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -104.09 124.26 48.73 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 117.199 0.5 . . . . 1.79 110.093 178.55 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 587' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -78.64 123.65 27.34 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.097 0.475 . . . . 1.67 111.038 174.75 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 588' ' ' LEU . . . . . 0.466 HD12 HD11 ' A' ' 540' ' ' LEU . 39.8 mt -80.55 137.7 36.43 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.619 -0.719 . . . . 0.24 110.397 -177.279 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 589' ' ' LEU . . . . . 0.603 ' HB3' ' SG ' ' A' ' 525' ' ' CYS . 28.6 tp -112.83 111.81 22.85 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.955 -0.566 . . . . 0.38 110.531 -177.781 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 590' ' ' ILE . . . . . 0.482 HD12 ' CD2' ' A' ' 576' ' ' TYR . 18.9 mt -103.03 118.7 50.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 N-CA-C 110.15 -0.315 . . . . 0.26 110.15 176.375 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 591' ' ' ARG . . . . . 0.487 ' HE ' HD11 ' A' ' 589' ' ' LEU . 89.6 mtt180 -145.87 165.84 27.71 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 109.852 -0.425 . . . . 2.62 109.852 -179.472 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 592' ' ' MET . . . . . . . . . . . . . 57.4 mtt -81.0 135.93 35.93 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 109.892 -0.41 . . . . 0.34 109.892 -179.046 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 593' ' ' SER . . . . . . . . . . . . . 47.6 t -73.32 135.94 44.43 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.38 0.609 . . . . 1.37 111.171 -179.283 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 594' ' ' THR . . . . . . . . . . . . . 18.7 p -91.11 -14.26 31.53 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 114.512 -1.222 . . . . 0.38 111.518 178.004 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 595' ' ' ARG . . . . . . . . . . . . . 62.5 mtp180 -100.77 -29.9 12.01 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 112.58 0.585 . . . . 2.75 112.58 -169.167 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 596' ' ' TYR . . . . . . . . . . . . . 95.9 m-85 -128.0 147.34 50.5 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 120.908 0.385 . . . . 0.65 111.744 -177.149 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 597' ' ' LYS . . . . . 0.45 ' N ' ' HD2' ' A' ' 597' ' ' LYS . 9.8 mptt -109.65 -10.06 14.84 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.744 -0.662 . . . . 2.18 112.671 179.84 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 598' ' ' GLU . . . . . . . . . . . . . 45.9 tt0 -144.01 149.6 36.96 Favored 'General case' 0 C--N 1.329 -0.295 0 C-N-CA 120.253 -0.579 . . . . 0.95 111.156 178.37 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 599' ' ' LEU . . . . . 0.712 HD21 HG13 ' A' ' 521' ' ' VAL . 64.0 mt -110.41 126.85 54.73 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.302 -0.863 . . . . 0.45 110.934 177.093 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 600' ' ' GLN . . . . . . . . . . . . . 46.0 tt0 -113.8 137.14 52.06 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.693 -0.685 . . . . 1.52 110.222 177.091 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 601' ' ' LEU . . . . . 0.468 ' HG ' HD22 ' A' ' 549' ' ' ASN . 70.3 mt -90.24 98.14 11.6 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.201 0.524 . . . . 0.46 111.123 177.685 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 602' ' ' LYS . . . . . . . . . . . . . 93.7 mttt -81.05 -16.31 53.61 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.585 0.707 . . . . 1.73 109.198 173.794 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 603' ' ' LYS . . . . . . . . . . . . . 75.5 mmtt . . . . . 0 C--N 1.324 -0.519 0 CA-C-N 115.009 -0.996 . . . . 1.69 109.751 179.978 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 607' ' ' ASN . . . . . . . . . . . . . 4.1 m-20 . . . . . 0 CA--C 1.517 -0.294 0 CA-C-O 121.173 0.511 . . . . 1.33 110.608 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 608' ' ' VAL . . . . . 0.583 HG11 ' HB ' ' A' ' 547' ' ' VAL . 69.6 t -74.22 -20.54 17.44 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.796 0 CA-C-N 115.339 -0.846 . . . . 0.3 110.878 -177.31 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 609' ' ' ALA . . . . . . . . . . . . . . . -60.79 -38.04 83.97 Favored 'General case' 0 C--O 1.242 0.693 0 CA-C-O 121.301 0.572 . . . . 0.44 110.946 175.62 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 610' ' ' ALA . . . . . . . . . . . . . . . -63.28 -29.07 70.46 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.884 -0.598 . . . . 0.4 110.383 177.173 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 611' ' ' ILE . . . . . 0.441 ' CD1' HD12 ' A' ' 538' ' ' ILE . 73.7 mt -71.38 -30.1 38.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 115.902 -0.59 . . . . 0.25 109.781 179.787 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 612' ' ' ILE . . . . . 0.414 HG12 HD13 ' A' ' 542' ' ' LEU . 62.1 mt -61.28 -43.48 96.61 Favored 'Isoleucine or valine' 0 C--O 1.234 0.285 0 N-CA-C 109.799 -0.445 . . . . 0.31 109.799 172.789 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 613' ' ' GLN . . . . . . . . . . . . . 19.3 mt-30 -62.79 -34.08 76.52 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.516 0.674 . . . . 2.31 109.593 177.252 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 614' ' ' ASP . . . . . 0.406 ' HB3' ' O ' ' A' ' 611' ' ' ILE . 15.8 t70 -65.42 -45.73 82.76 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 114.646 -1.161 . . . . 1.95 110.946 -178.253 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 615' ' ' ILE . . . . . 0.475 ' CD1' ' HB2' ' A' ' 542' ' ' LEU . 85.4 mt -59.49 -47.33 91.21 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.346 -0.388 . . . . 0.35 110.684 179.359 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 616' ' ' HIS . . . . . . . . . . . . . 62.0 m-70 -65.39 -31.9 73.24 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.804 -0.635 . . . . 1.26 111.352 179.386 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 617' ' ' SER . . . . . . . . . . . . . 48.9 m . . . . . 0 N--CA 1.452 -0.346 0 CA-C-N 116.685 -0.234 . . . . 1.18 110.419 177.688 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 520' ' ' ARG . . . . . 0.635 ' NH1' ' HA ' ' A' ' 566' ' ' THR . 19.7 mtm105 . . . . . 0 N--CA 1.449 -0.48 0 CA-C-O 121.286 0.565 . . . . 2.22 111.391 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 521' ' ' VAL . . . . . 0.807 HG13 HD21 ' A' ' 599' ' ' LEU . 72.3 t -116.08 123.93 71.84 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.837 0 CA-C-N 115.057 -0.974 . . . . 0.32 110.253 169.45 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 522' ' ' VAL . . . . . 0.453 ' HB ' ' O ' ' A' ' 561' ' ' LEU . 35.0 t -120.24 121.17 65.02 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.692 0 N-CA-C 107.803 -1.184 . . . . 0.22 107.803 174.526 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 523' ' ' HIS . . . . . . . . . . . . . 50.6 t-80 -107.89 133.49 52.18 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-O 121.085 0.469 . . . . 0.44 110.744 -171.663 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 524' ' ' ILE . . . . . 0.466 HD11 HD22 ' A' ' 561' ' ' LEU . 30.4 mt -111.44 140.46 30.75 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.914 0 N-CA-C 108.492 -0.929 . . . . 0.19 108.492 177.073 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 525' ' ' CYS . . . . . 0.474 ' O ' ' HB2' ' A' ' 526' ' ' ASN . 2.3 p -140.95 167.35 22.4 Favored 'General case' 0 C--N 1.312 -1.023 0 C-N-CA 120.453 -0.499 . . . . 1.17 111.323 -175.915 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 526' ' ' ASN . . . . . 0.474 ' HB2' ' O ' ' A' ' 525' ' ' CYS . 91.4 m-20 85.66 29.58 0.05 OUTLIER 'General case' 0 N--CA 1.467 0.384 0 O-C-N 124.922 1.389 . . . . 0.26 110.116 178.28 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 527' ' ' LEU . . . . . 0.48 ' O ' ' HB3' ' A' ' 557' ' ' ASN . 79.7 mt -91.19 122.81 65.84 Favored Pre-proline 0 C--N 1.325 -0.5 0 N-CA-C 108.706 -0.85 . . . . 0.25 108.706 177.056 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 528' ' ' PRO . . . . . . . . . . . . . 12.5 Cg_exo -68.69 135.24 32.56 Favored 'Trans proline' 0 N--CA 1.46 -0.483 0 C-N-CA 121.622 1.548 . . . . 0.38 111.623 -179.161 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 529' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -64.65 131.93 48.31 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 109.691 -0.485 . . . . 1.6 109.691 176.351 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 530' ' ' GLY . . . . . . . . . . . . . . . 89.69 2.76 75.26 Favored Glycine 0 N--CA 1.446 -0.639 0 N-CA-C 110.553 -1.019 . . . . 0.48 110.553 -173.662 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 531' ' ' SER . . . . . . . . . . . . . 20.3 m -141.27 7.06 1.96 Allowed 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.263 0.554 . . . . 1.08 109.699 -178.129 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 532' ' ' CYS . . . . . 0.4 ' HB2' ' HD2' ' A' ' 554' ' ' LYS . 70.5 m -89.07 89.45 7.97 Favored 'General case' 0 CA--C 1.515 -0.39 0 N-CA-C 108.913 -0.773 . . . . 0.25 108.913 -179.384 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 533' ' ' THR . . . . . 0.535 ' O ' HG23 ' A' ' 537' ' ' VAL . 82.0 p -102.57 149.39 24.46 Favored 'General case' 0 C--N 1.317 -0.816 0 N-CA-C 109.281 -0.636 . . . . 0.35 109.281 -179.212 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 534' ' ' GLU . . . . . 0.505 ' N ' HD11 ' A' ' 552' ' ' LEU . 39.2 mt-10 -68.56 -35.0 76.81 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 121.282 0.563 . . . . 1.64 110.028 -179.638 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 535' ' ' ASN . . . . . 0.42 ' OD1' HG23 ' A' ' 611' ' ' ILE . 66.0 t30 -64.02 -48.74 75.13 Favored 'General case' 0 C--O 1.216 -0.683 0 CA-C-N 115.2 -0.909 . . . . 1.82 111.006 -174.485 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 536' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -69.22 -40.57 77.9 Favored 'General case' 0 N--CA 1.469 0.479 0 CA-C-O 121.112 0.482 . . . . 0.61 111.275 -172.576 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 537' ' ' VAL . . . . . 0.535 HG23 ' O ' ' A' ' 533' ' ' THR . 35.9 t -61.32 -48.03 90.78 Favored 'Isoleucine or valine' 0 C--O 1.242 0.679 0 CA-C-N 115.154 -0.93 . . . . 0.15 109.836 179.791 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 538' ' ' ILE . . . . . 0.671 HD11 ' CG ' ' A' ' 550' ' ' TYR . 64.0 mt -68.16 -33.94 63.7 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.716 0 CA-C-N 115.273 -0.876 . . . . 0.23 111.367 176.313 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 539' ' ' ASN . . . . . 0.536 ' HA ' HD11 ' A' ' 615' ' ' ILE . 11.6 m120 -58.53 -26.05 63.1 Favored 'General case' 0 CA--C 1.515 -0.376 0 CA-C-O 120.637 0.256 . . . . 0.25 110.375 176.571 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 540' ' ' LEU . . . . . 0.534 HD11 HD12 ' A' ' 588' ' ' LEU . 85.4 mt -74.83 -42.5 57.88 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 109.59 -0.522 . . . . 0.27 109.59 173.237 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 541' ' ' GLY . . . . . 0.465 ' CA ' HD21 ' A' ' 561' ' ' LEU . . . -66.53 -52.76 32.52 Favored Glycine 0 CA--C 1.525 0.663 0 N-CA-C 115.817 1.087 . . . . 0.19 115.817 -178.579 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 542' ' ' LEU . . . . . 0.513 ' HA ' ' O ' ' A' ' 545' ' ' GLY . 41.1 mt -57.67 -48.29 97.47 Favored Pre-proline 0 C--N 1.323 -0.577 0 N-CA-C 114.969 1.47 . . . . 0.2 114.969 -167.901 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 543' ' ' PRO . . . . . 0.434 ' HG3' HG21 ' A' ' 615' ' ' ILE . 51.2 Cg_exo -59.41 -24.08 73.13 Favored 'Trans proline' 0 C--N 1.346 0.405 0 C-N-CA 122.266 1.977 . . . . 0.23 113.587 -176.449 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 544' ' ' PHE . . . . . 0.483 ' HB2' ' HE2' ' A' ' 572' ' ' MET . 95.3 m-85 -100.51 -15.81 17.74 Favored 'General case' 0 C--N 1.331 -0.218 0 C-N-CA 120.845 -0.342 . . . . 0.33 111.265 177.169 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 545' ' ' GLY . . . . . 0.513 ' O ' ' HA ' ' A' ' 542' ' ' LEU . . . 177.31 156.06 15.19 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.709 -0.758 . . . . 0.44 112.318 179.202 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 546' ' ' LYS . . . . . . . . . . . . . 28.1 tptp -66.3 128.13 34.96 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.471 0.653 . . . . 2.07 111.395 -177.24 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 547' ' ' VAL . . . . . 0.576 ' HB ' HG11 ' A' ' 608' ' ' VAL . 70.3 t -89.13 116.23 30.28 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-N 114.965 -1.016 . . . . 0.2 109.925 177.115 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 548' ' ' THR . . . . . . . . . . . . . 22.7 p -94.87 -36.03 11.8 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.037 -0.528 . . . . 0.31 111.724 179.741 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 549' ' ' ASN . . . . . . . . . . . . . 92.1 m-20 -143.29 160.96 39.53 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.217 -0.447 . . . . 1.26 110.558 179.462 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 550' ' ' TYR . . . . . 0.671 ' CG ' HD11 ' A' ' 538' ' ' ILE . 3.3 p90 -161.41 151.72 17.52 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.502 -0.772 . . . . 0.31 109.582 -179.269 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 551' ' ' ILE . . . . . 0.5 ' HB ' ' HB2' ' A' ' 560' ' ' PHE . 50.0 mt -144.28 127.46 11.9 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 N-CA-C 108.289 -1.004 . . . . 0.22 108.289 -176.882 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 552' ' ' LEU . . . . . 0.505 HD11 ' N ' ' A' ' 534' ' ' GLU . 26.7 mt -106.73 119.71 40.06 Favored 'General case' 0 C--N 1.313 -0.998 0 C-N-CA 119.926 -0.71 . . . . 0.43 110.394 179.852 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 553' ' ' MET . . . . . . . . . . . . . 30.7 mtp -101.95 80.44 2.0 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 108.253 -1.017 . . . . 1.03 108.253 -178.7 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 554' ' ' LYS . . . . . 0.4 ' HD2' ' HB2' ' A' ' 532' ' ' CYS . 26.4 mmtp -53.93 -29.56 42.87 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 114.632 -1.167 . . . . 1.03 113.3 178.318 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 555' ' ' SER . . . . . . . . . . . . . 63.4 p -70.02 -45.08 67.96 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 120.693 0.282 . . . . 0.51 111.758 -174.05 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 556' ' ' THR . . . . . . . . . . . . . 42.6 p -100.27 7.95 44.07 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 112.711 0.634 . . . . 0.45 112.711 -174.753 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 557' ' ' ASN . . . . . 0.48 ' HB3' ' O ' ' A' ' 527' ' ' LEU . 34.6 m-80 59.92 39.59 20.07 Favored 'General case' 0 N--CA 1.468 0.46 0 CA-C-O 121.523 0.678 . . . . 1.28 109.936 -177.575 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 558' ' ' GLN . . . . . . . . . . . . . 76.6 mt-30 -135.83 168.29 19.58 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.344 -0.844 . . . . 0.84 109.908 -175.332 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 559' ' ' ALA . . . . . . . . . . . . . . . -158.66 165.63 33.96 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.19 0.519 . . . . 0.16 111.709 179.187 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 560' ' ' PHE . . . . . 0.5 ' HB2' ' HB ' ' A' ' 551' ' ' ILE . 88.1 m-85 -119.93 144.33 47.5 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.975 -0.557 . . . . 0.35 110.707 176.548 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 561' ' ' LEU . . . . . 0.466 HD22 HD11 ' A' ' 524' ' ' ILE . 56.1 tp -132.62 118.8 19.62 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.709 -0.678 . . . . 0.2 109.955 179.415 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 562' ' ' GLU . . . . . 0.483 ' HB2' HD12 ' A' ' 599' ' ' LEU . 26.5 tt0 -101.0 124.32 46.54 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.428 0.632 . . . . 2.09 110.391 179.353 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 563' ' ' MET . . . . . 0.58 ' HB2' ' NH2' ' A' ' 520' ' ' ARG . 20.9 mtt -110.73 154.62 23.64 Favored 'General case' 0 C--N 1.317 -0.83 0 CA-C-N 115.074 -0.966 . . . . 0.39 108.762 -177.855 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 564' ' ' ALA . . . . . . . . . . . . . . . -73.21 -25.43 60.76 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 123.217 0.323 . . . . 0.5 111.768 -170.708 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 565' ' ' TYR . . . . . . . . . . . . . 68.2 m-85 -139.23 149.34 44.23 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.017 0.437 . . . . 1.15 110.437 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 566' ' ' THR . . . . . 0.635 ' HA ' ' NH1' ' A' ' 520' ' ' ARG . 2.2 t -67.88 -26.35 65.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.632 -0.713 . . . . 0.57 110.497 -177.672 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 567' ' ' GLU . . . . . 0.593 ' HA ' HE21 ' A' ' 570' ' ' GLN . 13.1 pt-20 -56.0 -32.64 64.13 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 115.75 -0.659 . . . . 0.89 111.128 177.518 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 568' ' ' ALA . . . . . 0.685 ' O ' ' HG3' ' A' ' 572' ' ' MET . . . -73.26 -40.81 64.31 Favored 'General case' 0 N--CA 1.45 -0.436 0 CA-C-N 116.294 -0.412 . . . . 0.26 110.798 -176.202 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 569' ' ' ALA . . . . . 0.548 ' CB ' HH12 ' A' ' 520' ' ' ARG . . . -65.55 -44.95 85.22 Favored 'General case' 0 CA--C 1.516 -0.36 0 CA-C-N 116.319 -0.401 . . . . 0.24 111.731 -174.43 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 570' ' ' GLN . . . . . 0.593 HE21 ' HA ' ' A' ' 567' ' ' GLU . 15.7 pt20 -66.97 -35.4 79.88 Favored 'General case' 0 C--N 1.326 -0.421 0 C-N-CA 120.834 -0.346 . . . . 1.24 110.165 -179.176 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 571' ' ' ALA . . . . . . . . . . . . . . . -64.16 -44.05 93.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.118 -0.492 . . . . 0.31 110.758 176.562 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 572' ' ' MET . . . . . 0.685 ' HG3' ' O ' ' A' ' 568' ' ' ALA . 31.7 mtt -66.38 -45.8 78.85 Favored 'General case' 0 CA--C 1.521 -0.155 0 CA-C-N 116.362 -0.381 . . . . 0.47 110.806 179.877 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 573' ' ' VAL . . . . . 0.505 HG23 ' O ' ' A' ' 569' ' ' ALA . 89.8 t -58.54 -46.69 89.79 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.182 0 N-CA-C 110.301 -0.259 . . . . 0.34 110.301 -178.635 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 574' ' ' GLN . . . . . . . . . . . . . 27.9 mt-30 -60.93 -37.98 84.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.031 0.443 . . . . 2.09 110.751 178.584 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 575' ' ' TYR . . . . . . . . . . . . . 92.7 t80 -69.03 -52.86 24.22 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.757 -0.656 . . . . 0.48 110.851 -178.78 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 576' ' ' TYR . . . . . 0.519 ' CD2' HD12 ' A' ' 590' ' ' ILE . 84.1 m-85 -75.2 -13.48 60.46 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 113.024 0.75 . . . . 0.36 113.024 -175.527 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 577' ' ' GLN . . . . . 0.452 ' HA ' ' OE1' ' A' ' 577' ' ' GLN . 13.9 mm-40 -74.07 -41.96 60.92 Favored 'General case' 0 C--N 1.321 -0.634 0 C-N-CA 120.288 -0.565 . . . . 1.89 109.836 171.601 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 578' ' ' GLU . . . . . . . . . . . . . 40.3 mm-40 -84.53 -39.3 18.97 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.325 -0.398 . . . . 2.14 110.731 178.879 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 579' ' ' LYS . . . . . 0.494 ' O ' ' HA ' ' A' ' 576' ' ' TYR . 54.6 mtpt -130.85 91.28 37.35 Favored Pre-proline 0 C--O 1.234 0.289 0 C-N-CA 122.732 0.413 . . . . 2.46 110.324 176.697 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 580' ' ' PRO . . . . . 0.447 ' HB2' ' HB3' ' A' ' 587' ' ' LYS . 57.7 Cg_endo -71.38 162.04 43.66 Favored 'Trans proline' 0 C--O 1.237 0.441 0 C-N-CA 122.667 2.245 . . . . 0.37 112.383 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 581' ' ' ALA . . . . . 0.417 ' O ' ' HG ' ' A' ' 588' ' ' LEU . . . -92.25 135.11 34.27 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 109.567 -0.531 . . . . 0.27 109.567 178.842 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 582' ' ' ILE . . . . . . . . . . . . . 37.9 mt -98.28 124.04 51.15 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 CA-C-O 120.72 0.295 . . . . 0.51 111.137 -175.63 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 583' ' ' ILE . . . . . 0.401 ' CG1' HD11 ' A' ' 588' ' ' LEU . 30.4 mm -130.65 112.54 22.81 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 N-CA-C 109.802 -0.444 . . . . 0.51 109.802 174.158 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 584' ' ' ASN . . . . . 0.524 HD22 ' N ' ' A' ' 584' ' ' ASN . 0.8 OUTLIER 57.79 33.53 23.33 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-N 115.867 -0.606 . . . . 1.1 110.731 177.585 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 585' ' ' GLY . . . . . . . . . . . . . . . 86.15 5.5 82.91 Favored Glycine 0 N--CA 1.444 -0.773 0 CA-C-N 115.415 -0.812 . . . . 0.44 113.82 177.374 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 586' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -113.73 127.75 56.15 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 117.6 0.7 . . . . 1.79 111.093 176.853 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 587' ' ' LYS . . . . . 0.447 ' HB3' ' HB2' ' A' ' 580' ' ' PRO . 40.7 mmtm -73.56 126.96 31.45 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.965 -0.561 . . . . 1.67 110.911 176.627 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 588' ' ' LEU . . . . . 0.534 HD12 HD11 ' A' ' 540' ' ' LEU . 40.0 mt -82.89 139.86 33.19 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.896 0.379 . . . . 0.24 111.173 -179.153 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 589' ' ' LEU . . . . . . . . . . . . . 65.0 tp -113.62 114.19 26.1 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.711 -0.677 . . . . 0.38 110.853 -179.828 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 590' ' ' ILE . . . . . 0.519 HD12 ' CD2' ' A' ' 576' ' ' TYR . 24.9 mt -100.19 128.6 51.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 N-CA-C 110.231 -0.285 . . . . 0.26 110.231 175.886 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 591' ' ' ARG . . . . . . . . . . . . . 80.5 mtp180 -146.36 159.12 43.79 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.404 -0.362 . . . . 2.62 110.629 -176.898 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 592' ' ' MET . . . . . . . . . . . . . 49.7 mtt -83.24 129.28 35.0 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 109.912 -0.403 . . . . 0.34 109.912 176.025 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 593' ' ' SER . . . . . . . . . . . . . 46.3 t -65.24 129.81 41.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.359 0.6 . . . . 1.37 111.651 -177.048 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 594' ' ' THR . . . . . . . . . . . . . 17.0 p -90.09 -11.74 40.44 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-N 114.711 -1.131 . . . . 0.38 111.712 178.738 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 595' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -104.4 -30.81 9.84 Favored 'General case' 0 CA--C 1.531 0.241 0 N-CA-C 113.172 0.805 . . . . 2.75 113.172 -173.915 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 596' ' ' TYR . . . . . . . . . . . . . 65.1 m-85 -120.27 146.43 46.09 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 112.433 0.531 . . . . 0.65 112.433 -174.875 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 597' ' ' LYS . . . . . 0.523 ' N ' ' HD2' ' A' ' 597' ' ' LYS . 0.1 OUTLIER -109.82 -8.31 14.92 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.352 -0.84 . . . . 2.18 111.979 -178.721 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 598' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 -144.07 151.46 39.67 Favored 'General case' 0 C--N 1.328 -0.351 0 C-N-CA 120.599 -0.44 . . . . 0.95 111.556 -177.515 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 599' ' ' LEU . . . . . 0.807 HD21 HG13 ' A' ' 521' ' ' VAL . 72.1 mt -114.43 122.59 47.1 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.597 -0.728 . . . . 0.45 110.893 175.689 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 600' ' ' GLN . . . . . . . . . . . . . 29.3 tt0 -114.27 123.81 50.46 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.761 -0.654 . . . . 1.52 110.394 178.032 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 601' ' ' LEU . . . . . . . . . . . . . 40.2 mt -78.2 93.63 4.62 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.917 0.389 . . . . 0.46 111.084 179.763 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 602' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -70.74 -23.46 62.43 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.389 0.614 . . . . 1.73 109.885 174.787 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 603' ' ' LYS . . . . . . . . . . . . . 35.2 mmtp . . . . . 0 C--N 1.323 -0.569 0 CA-C-N 115.313 -0.858 . . . . 1.69 109.363 177.479 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 607' ' ' ASN . . . . . 0.418 HD21 ' HB3' ' A' ' 609' ' ' ALA . 37.6 t30 . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.893 0.378 . . . . 1.33 111.016 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 608' ' ' VAL . . . . . 0.576 HG11 ' HB ' ' A' ' 547' ' ' VAL . 96.5 t -77.47 -21.74 14.15 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-N 115.77 -0.65 . . . . 0.3 111.158 -176.295 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 609' ' ' ALA . . . . . 0.418 ' HB3' HD21 ' A' ' 607' ' ' ASN . . . -61.41 -32.54 72.48 Favored 'General case' 0 C--O 1.236 0.392 0 CA-C-O 121.202 0.525 . . . . 0.44 110.859 175.809 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 610' ' ' ALA . . . . . . . . . . . . . . . -64.83 -29.71 70.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.835 -0.62 . . . . 0.4 110.188 176.067 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 611' ' ' ILE . . . . . 0.42 HG23 ' OD1' ' A' ' 535' ' ' ASN . 76.7 mt -71.5 -30.65 39.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 115.371 -0.831 . . . . 0.25 110.018 179.044 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 612' ' ' ILE . . . . . . . . . . . . . 71.2 mt -60.98 -43.61 96.39 Favored 'Isoleucine or valine' 0 C--O 1.235 0.317 0 CA-C-O 121.168 0.508 . . . . 0.31 109.952 172.743 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 613' ' ' GLN . . . . . . . . . . . . . 11.6 mm100 -63.46 -30.3 71.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.491 -0.777 . . . . 2.31 109.872 177.159 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 614' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -71.38 -46.14 61.08 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 114.868 -1.06 . . . . 1.95 110.718 -178.251 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 615' ' ' ILE . . . . . 0.536 HD11 ' HA ' ' A' ' 539' ' ' ASN . 88.0 mt -61.01 -47.18 94.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.061 -0.518 . . . . 0.35 110.74 179.365 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 616' ' ' HIS . . . . . . . . . . . . . 40.9 m170 -64.56 -38.05 89.66 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.45 -0.795 . . . . 1.26 111.779 -177.595 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 617' ' ' SER . . . . . . . . . . . . . 20.9 p . . . . . 0 C--N 1.325 -0.47 0 C-N-CA 120.936 -0.306 . . . . 1.18 111.24 -178.803 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 520' ' ' ARG . . . . . . . . . . . . . 45.8 mtm-85 . . . . . 0 N--CA 1.451 -0.418 0 CA-C-O 121.111 0.481 . . . . 2.22 111.105 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 521' ' ' VAL . . . . . 0.832 HG13 HD21 ' A' ' 599' ' ' LEU . 84.0 t -118.26 123.18 71.22 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.71 0 CA-C-N 115.27 -0.877 . . . . 0.32 110.509 170.135 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 522' ' ' VAL . . . . . 0.578 ' HB ' ' O ' ' A' ' 561' ' ' LEU . 24.5 t -120.03 121.87 67.01 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.924 0 N-CA-C 107.9 -1.148 . . . . 0.22 107.9 174.525 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 523' ' ' HIS . . . . . . . . . . . . . 39.8 t-80 -105.75 131.02 53.61 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-O 121.152 0.501 . . . . 0.44 110.276 -174.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 524' ' ' ILE . . . . . 0.477 HD11 HD22 ' A' ' 561' ' ' LEU . 40.3 mt -110.38 138.88 36.32 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.039 0 N-CA-C 108.372 -0.973 . . . . 0.19 108.372 178.405 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 525' ' ' CYS . . . . . 0.462 ' O ' ' HB2' ' A' ' 526' ' ' ASN . 3.8 p -138.24 163.54 31.48 Favored 'General case' 0 C--N 1.31 -1.115 0 C-N-CA 120.638 -0.425 . . . . 1.17 111.419 -175.709 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 526' ' ' ASN . . . . . 0.462 ' HB2' ' O ' ' A' ' 525' ' ' CYS . 90.4 m-20 83.45 27.08 0.1 Allowed 'General case' 0 CA--C 1.516 -0.341 0 O-C-N 124.766 1.292 . . . . 0.26 110.561 175.813 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 527' ' ' LEU . . . . . 0.549 HD23 HD22 ' A' ' 588' ' ' LEU . 90.3 mt -82.14 125.32 77.36 Favored Pre-proline 0 C--N 1.325 -0.465 0 N-CA-C 108.352 -0.981 . . . . 0.25 108.352 176.684 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 528' ' ' PRO . . . . . 0.444 ' HB3' ' OE2' ' A' ' 586' ' ' GLU . 37.3 Cg_endo -74.85 134.59 18.28 Favored 'Trans proline' 0 N--CA 1.457 -0.675 0 C-N-CA 121.324 1.35 . . . . 0.38 112.469 -179.09 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 529' ' ' GLU . . . . . . . . . . . . . 7.7 tp10 -65.14 139.68 58.71 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.629 -0.714 . . . . 1.6 109.525 175.826 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 530' ' ' GLY . . . . . . . . . . . . . . . 91.13 4.3 68.98 Favored Glycine 0 N--CA 1.443 -0.892 0 N-CA-C 110.806 -0.918 . . . . 0.48 110.806 -173.21 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 531' ' ' SER . . . . . 0.411 ' HB3' ' HG2' ' A' ' 528' ' ' PRO . 39.3 t -156.48 9.05 0.22 Allowed 'General case' 0 N--CA 1.449 -0.51 0 CA-C-O 120.867 0.365 . . . . 1.08 110.467 -174.012 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 532' ' ' CYS . . . . . . . . . . . . . 74.8 m -89.25 81.2 6.73 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 109.229 -0.656 . . . . 0.25 109.229 178.658 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 533' ' ' THR . . . . . 0.45 ' O ' HG23 ' A' ' 537' ' ' VAL . 27.2 p -104.15 153.7 20.63 Favored 'General case' 0 N--CA 1.445 -0.685 0 C-N-CA 119.575 -0.85 . . . . 0.35 109.228 -178.5 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 534' ' ' GLU . . . . . 0.813 ' HA ' HD11 ' A' ' 552' ' ' LEU . 20.7 mp0 -63.27 -32.62 74.08 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-O 121.259 0.552 . . . . 1.64 109.756 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 535' ' ' ASN . . . . . . . . . . . . . 63.6 t30 -62.67 -48.88 77.38 Favored 'General case' 0 C--O 1.216 -0.663 0 CA-C-N 115.177 -0.92 . . . . 1.82 111.133 -178.205 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 536' ' ' ASP . . . . . . . . . . . . . 65.2 m-20 -68.86 -46.11 69.33 Favored 'General case' 0 N--CA 1.472 0.66 0 CA-C-O 121.648 0.737 . . . . 0.61 110.77 -171.588 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 537' ' ' VAL . . . . . 0.45 HG23 ' O ' ' A' ' 533' ' ' THR . 26.6 t -60.18 -48.41 88.19 Favored 'Isoleucine or valine' 0 C--O 1.241 0.644 0 CA-C-N 114.339 -1.301 . . . . 0.15 109.888 -177.298 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 538' ' ' ILE . . . . . 0.598 HD11 ' CG ' ' A' ' 550' ' ' TYR . 59.2 mt -69.33 -34.19 61.44 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.764 0 CA-C-N 115.274 -0.876 . . . . 0.23 111.917 177.107 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 539' ' ' ASN . . . . . 0.517 ' HA ' HD11 ' A' ' 615' ' ' ILE . 10.2 m120 -59.02 -26.48 64.59 Favored 'General case' 0 CA--C 1.515 -0.403 0 O-C-N 122.227 -0.296 . . . . 0.25 110.641 177.601 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 540' ' ' LEU . . . . . 0.484 HD11 HD12 ' A' ' 588' ' ' LEU . 89.0 mt -75.67 -42.17 51.99 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 109.719 -0.474 . . . . 0.27 109.719 172.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 541' ' ' GLY . . . . . 0.532 ' HA3' HD21 ' A' ' 561' ' ' LEU . . . -63.96 -52.07 48.02 Favored Glycine 0 CA--C 1.523 0.547 0 N-CA-C 115.36 0.904 . . . . 0.19 115.36 -179.665 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 542' ' ' LEU . . . . . 0.439 HD23 ' H ' ' A' ' 547' ' ' VAL . 74.7 mt -56.15 -45.38 99.92 Favored Pre-proline 0 C--N 1.322 -0.608 0 N-CA-C 114.917 1.451 . . . . 0.2 114.917 -168.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 543' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_exo -60.23 -26.99 83.97 Favored 'Trans proline' 0 C--N 1.347 0.463 0 C-N-CA 122.067 1.845 . . . . 0.23 113.676 -178.129 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 544' ' ' PHE . . . . . 0.494 ' HB2' ' HE2' ' A' ' 572' ' ' MET . 90.6 m-85 -100.81 -7.22 23.83 Favored 'General case' 0 C--N 1.33 -0.269 0 C-N-CA 120.866 -0.334 . . . . 0.33 111.239 179.67 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 545' ' ' GLY . . . . . 0.412 ' O ' ' HA ' ' A' ' 542' ' ' LEU . . . 168.86 151.55 7.26 Favored Glycine 0 N--CA 1.449 -0.463 0 C-N-CA 120.554 -0.832 . . . . 0.44 112.24 -179.374 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 546' ' ' LYS . . . . . . . . . . . . . 37.0 ttpt -66.13 128.78 37.44 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.033 0.444 . . . . 2.07 111.15 -178.119 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 547' ' ' VAL . . . . . 0.582 ' HB ' HG11 ' A' ' 608' ' ' VAL . 72.3 t -88.33 115.68 28.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-N 115.445 -0.798 . . . . 0.2 110.4 177.447 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 548' ' ' THR . . . . . . . . . . . . . 20.5 p -95.2 -36.75 11.33 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.213 -0.448 . . . . 0.31 111.944 179.337 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 549' ' ' ASN . . . . . 0.457 ' HB2' ' HB3' ' A' ' 562' ' ' GLU . 7.3 m-20 -141.09 153.94 45.69 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 109.372 -0.603 . . . . 1.26 109.372 -177.778 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 550' ' ' TYR . . . . . 0.598 ' CG ' HD11 ' A' ' 538' ' ' ILE . 3.3 p90 -159.44 151.99 21.4 Favored 'General case' 0 C--N 1.318 -0.782 0 N-CA-C 109.743 -0.465 . . . . 0.31 109.743 179.583 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 551' ' ' ILE . . . . . 0.455 ' HB ' ' HB2' ' A' ' 560' ' ' PHE . 55.4 mt -143.23 121.65 7.33 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 N-CA-C 107.844 -1.169 . . . . 0.22 107.844 -179.217 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 552' ' ' LEU . . . . . 0.813 HD11 ' HA ' ' A' ' 534' ' ' GLU . 20.6 mt -109.97 126.64 54.14 Favored 'General case' 0 C--N 1.315 -0.92 0 C-N-CA 119.273 -0.971 . . . . 0.43 110.152 -179.768 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 553' ' ' MET . . . . . 0.415 ' HE3' ' HB2' ' A' ' 558' ' ' GLN . 62.8 mtm -109.29 83.89 1.83 Allowed 'General case' 0 C--N 1.318 -0.763 0 N-CA-C 108.853 -0.795 . . . . 1.03 108.853 -179.615 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 554' ' ' LYS . . . . . 0.418 ' HG2' ' H ' ' A' ' 554' ' ' LYS . 21.9 mmtp -53.12 -28.04 23.78 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 114.807 -1.088 . . . . 1.03 112.314 176.277 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 555' ' ' SER . . . . . . . . . . . . . 66.2 p -69.21 -44.35 72.27 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.963 0.411 . . . . 0.51 111.415 -175.316 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 556' ' ' THR . . . . . . . . . . . . . 41.1 p -99.05 2.61 46.32 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.378 -0.373 . . . . 0.45 111.829 -176.462 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 557' ' ' ASN . . . . . 0.478 ' HB3' ' O ' ' A' ' 527' ' ' LEU . 3.4 m-20 57.88 38.51 27.11 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-O 121.796 0.807 . . . . 1.28 110.304 -177.783 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 558' ' ' GLN . . . . . 0.415 ' HB2' ' HE3' ' A' ' 553' ' ' MET . 79.8 mt-30 -139.12 164.47 29.7 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 114.848 -1.069 . . . . 0.84 108.717 -178.045 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 559' ' ' ALA . . . . . . . . . . . . . . . -157.74 166.51 32.57 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 121.235 0.541 . . . . 0.16 112.331 -174.741 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 560' ' ' PHE . . . . . 0.455 ' HB2' ' HB ' ' A' ' 551' ' ' ILE . 92.8 m-85 -122.12 146.65 47.02 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.494 -0.776 . . . . 0.35 110.923 176.208 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 561' ' ' LEU . . . . . 0.578 ' O ' ' HB ' ' A' ' 522' ' ' VAL . 50.4 tp -137.37 120.15 16.3 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.572 -0.74 . . . . 0.2 110.1 -178.249 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 562' ' ' GLU . . . . . 0.481 ' HB2' HD12 ' A' ' 599' ' ' LEU . 29.2 tt0 -99.72 129.83 45.88 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.442 0.639 . . . . 2.09 110.386 177.862 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 563' ' ' MET . . . . . 0.636 ' SD ' ' HA ' ' A' ' 569' ' ' ALA . 27.7 mtt -115.95 155.92 27.16 Favored 'General case' 0 C--N 1.316 -0.88 0 CA-C-N 114.999 -1.001 . . . . 0.39 109.399 -176.276 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 564' ' ' ALA . . . . . . . . . . . . . . . -72.85 -18.71 61.42 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 112.394 0.516 . . . . 0.5 112.394 -170.002 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 565' ' ' TYR . . . . . 0.448 ' CB ' ' HG2' ' A' ' 567' ' ' GLU . 95.8 m-85 -145.21 155.91 43.54 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.68 0.276 . . . . 1.15 110.478 -179.534 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 566' ' ' THR . . . . . . . . . . . . . 3.9 t -68.06 -27.82 66.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.985 -0.552 . . . . 0.57 109.804 179.521 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 567' ' ' GLU . . . . . 0.448 ' HG2' ' CB ' ' A' ' 565' ' ' TYR . 12.8 pt-20 -59.51 -32.71 70.54 Favored 'General case' 0 C--O 1.231 0.096 0 CA-C-N 115.523 -0.762 . . . . 0.89 110.895 176.827 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 568' ' ' ALA . . . . . 0.658 ' O ' ' HG3' ' A' ' 572' ' ' MET . . . -73.06 -40.91 64.67 Favored 'General case' 0 N--CA 1.45 -0.425 0 CA-C-N 115.936 -0.575 . . . . 0.26 109.85 -177.729 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 569' ' ' ALA . . . . . 0.636 ' HA ' ' SD ' ' A' ' 563' ' ' MET . . . -64.9 -45.77 84.52 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.662 -0.699 . . . . 0.24 111.066 -177.517 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 570' ' ' GLN . . . . . . . . . . . . . 20.5 pt20 -68.9 -36.68 78.32 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.036 -0.529 . . . . 1.24 110.575 -179.066 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 571' ' ' ALA . . . . . . . . . . . . . . . -63.89 -45.9 87.29 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-N 116.498 -0.319 . . . . 0.31 111.271 -178.549 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 572' ' ' MET . . . . . 0.658 ' HG3' ' O ' ' A' ' 568' ' ' ALA . 29.2 mtt -67.4 -43.36 81.49 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.523 -0.308 . . . . 0.47 110.682 -177.88 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 573' ' ' VAL . . . . . 0.588 ' O ' ' HG3' ' A' ' 577' ' ' GLN . 97.8 t -59.61 -48.04 88.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-O 120.679 0.276 . . . . 0.34 110.283 179.074 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 574' ' ' GLN . . . . . . . . . . . . . 84.5 mm-40 -62.51 -36.83 83.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.274 -0.421 . . . . 2.09 111.148 -179.833 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 575' ' ' TYR . . . . . . . . . . . . . 88.9 t80 -68.21 -52.06 38.51 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.971 -0.559 . . . . 0.48 110.548 -178.894 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 576' ' ' TYR . . . . . 0.556 ' CE1' ' HB2' ' A' ' 581' ' ' ALA . 62.7 m-85 -76.51 -13.23 60.11 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 113.14 0.793 . . . . 0.36 113.14 -176.076 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 577' ' ' GLN . . . . . 0.588 ' HG3' ' O ' ' A' ' 573' ' ' VAL . 92.6 mt-30 -68.29 -42.34 79.65 Favored 'General case' 0 C--N 1.325 -0.471 0 C-N-CA 120.363 -0.535 . . . . 1.89 109.725 171.523 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 578' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -92.28 -37.27 12.75 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.849 -0.614 . . . . 2.14 111.608 -179.865 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 579' ' ' LYS . . . . . 0.43 ' O ' ' HA ' ' A' ' 576' ' ' TYR . 56.4 mtpt -128.76 84.39 63.26 Favored Pre-proline 0 C--N 1.327 -0.404 0 N-CA-C 110.237 -0.283 . . . . 2.46 110.237 175.179 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 580' ' ' PRO . . . . . . . . . . . . . 30.6 Cg_endo -64.44 160.51 39.06 Favored 'Trans proline' 0 C--O 1.234 0.312 0 C-N-CA 122.634 2.222 . . . . 0.37 112.536 -178.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 581' ' ' ALA . . . . . 0.556 ' HB2' ' CE1' ' A' ' 576' ' ' TYR . . . -90.58 134.54 34.31 Favored 'General case' 0 CA--C 1.517 -0.297 0 N-CA-C 109.721 -0.474 . . . . 0.27 109.721 178.631 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 582' ' ' ILE . . . . . . . . . . . . . 23.0 mt -103.93 120.83 54.68 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.741 0 CA-C-N 116.357 -0.383 . . . . 0.51 111.519 -174.669 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 583' ' ' ILE . . . . . 0.437 ' CG1' HD11 ' A' ' 588' ' ' LEU . 29.2 mm -124.7 112.6 32.65 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 N-CA-C 109.473 -0.566 . . . . 0.51 109.473 173.822 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 584' ' ' ASN . . . . . . . . . . . . . 96.0 m-20 59.19 34.03 22.99 Favored 'General case' 0 N--CA 1.468 0.448 0 CA-C-O 121.404 0.621 . . . . 1.1 110.606 -178.32 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 585' ' ' GLY . . . . . . . . . . . . . . . 79.8 4.69 89.52 Favored Glycine 0 N--CA 1.447 -0.586 0 CA-C-N 115.397 -0.82 . . . . 0.44 113.25 179.298 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 586' ' ' GLU . . . . . 0.444 ' OE2' ' HB3' ' A' ' 528' ' ' PRO . 47.3 mt-10 -105.09 125.85 51.43 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.013 0.435 . . . . 1.79 110.534 178.477 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 587' ' ' LYS . . . . . . . . . . . . . 33.1 mmtp -75.66 125.8 29.77 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.427 -0.806 . . . . 1.67 111.385 -178.505 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 588' ' ' LEU . . . . . 0.549 HD22 HD23 ' A' ' 527' ' ' LEU . 41.6 mt -89.41 138.86 31.08 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.993 -0.549 . . . . 0.24 110.734 179.331 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 589' ' ' LEU . . . . . 0.445 ' HB3' ' SG ' ' A' ' 525' ' ' CYS . 58.4 tp -113.99 116.18 28.8 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.252 -0.431 . . . . 0.38 110.881 178.535 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 590' ' ' ILE . . . . . 0.517 HD12 ' CE2' ' A' ' 576' ' ' TYR . 26.6 mt -101.34 127.48 54.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 N-CA-C 109.952 -0.388 . . . . 0.26 109.952 174.801 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 591' ' ' ARG . . . . . . . . . . . . . 64.4 mtt-85 -147.39 165.11 31.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.806 0.336 . . . . 2.62 110.812 -177.156 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 592' ' ' MET . . . . . . . . . . . . . 65.1 mtt -82.26 141.17 33.17 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 109.442 -0.577 . . . . 0.34 109.442 176.413 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 593' ' ' SER . . . . . . . . . . . . . 38.5 t -79.4 135.88 36.81 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.32 0.581 . . . . 1.37 110.733 -178.517 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 594' ' ' THR . . . . . . . . . . . . . 22.9 p -89.91 -18.61 25.8 Favored 'General case' 0 C--N 1.316 -0.858 0 CA-C-N 115.043 -0.98 . . . . 0.38 111.229 -179.285 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 595' ' ' ARG . . . . . . . . . . . . . 97.8 mtt180 -103.23 -27.84 12.26 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.984 -0.553 . . . . 2.75 112.177 -169.409 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 596' ' ' TYR . . . . . . . . . . . . . 32.7 m-85 -116.86 144.13 44.87 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.129 0.49 . . . . 0.65 111.912 -177.875 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 597' ' ' LYS . . . . . 0.414 ' N ' ' HD2' ' A' ' 597' ' ' LYS . 0.6 OUTLIER -106.11 -24.25 12.41 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.486 -0.779 . . . . 2.18 111.357 178.757 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 598' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -142.68 149.11 38.42 Favored 'General case' 0 C--N 1.327 -0.402 0 C-N-CA 120.412 -0.515 . . . . 0.95 111.269 179.243 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 599' ' ' LEU . . . . . 0.832 HD21 HG13 ' A' ' 521' ' ' VAL . 59.7 mt -100.49 121.79 42.15 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.35 -0.841 . . . . 0.45 111.383 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 600' ' ' GLN . . . . . . . . . . . . . 45.0 tt0 -101.42 117.53 35.14 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.832 -0.622 . . . . 1.52 110.072 177.881 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 601' ' ' LEU . . . . . . . . . . . . . 79.2 mt -77.21 95.5 4.32 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 120.661 0.267 . . . . 0.46 110.438 177.185 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 602' ' ' LYS . . . . . . . . . . . . . 52.6 mttp -81.13 -18.61 45.83 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.231 0.539 . . . . 1.73 109.892 175.463 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 603' ' ' LYS . . . . . . . . . . . . . 75.1 mmtt . . . . . 0 C--N 1.323 -0.572 0 CA-C-N 115.448 -0.796 . . . . 1.69 109.928 -179.46 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 607' ' ' ASN . . . . . . . . . . . . . 28.5 t-20 . . . . . 0 N--CA 1.454 -0.239 0 CA-C-O 121.238 0.542 . . . . 1.33 110.514 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 608' ' ' VAL . . . . . 0.582 HG11 ' HB ' ' A' ' 547' ' ' VAL . 98.3 t -81.18 -20.44 11.11 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-N 115.406 -0.815 . . . . 0.3 111.443 -173.598 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 609' ' ' ALA . . . . . . . . . . . . . . . -63.7 -34.93 78.96 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.492 0.663 . . . . 0.44 110.234 175.068 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 610' ' ' ALA . . . . . . . . . . . . . . . -66.48 -27.37 67.74 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.584 -0.735 . . . . 0.4 110.301 176.153 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 611' ' ' ILE . . . . . 0.421 ' CD1' HD12 ' A' ' 538' ' ' ILE . 72.8 mt -70.75 -30.76 43.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 N-CA-C 109.501 -0.555 . . . . 0.25 109.501 177.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 612' ' ' ILE . . . . . 0.439 HG12 HD13 ' A' ' 542' ' ' LEU . 66.4 mt -61.25 -39.22 81.82 Favored 'Isoleucine or valine' 0 C--O 1.233 0.198 0 N-CA-C 109.583 -0.525 . . . . 0.31 109.583 171.13 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 613' ' ' GLN . . . . . . . . . . . . . 12.0 mm100 -65.12 -32.55 74.31 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.752 -0.658 . . . . 2.31 110.125 176.912 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 614' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -66.14 -37.96 86.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.568 -0.742 . . . . 1.95 110.403 176.608 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 615' ' ' ILE . . . . . 0.517 HD11 ' HA ' ' A' ' 539' ' ' ASN . 84.1 mt -68.06 -34.34 66.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 115.998 -0.547 . . . . 0.35 110.188 176.182 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 616' ' ' HIS . . . . . . . . . . . . . 62.3 m170 -63.16 -36.52 83.89 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.961 -0.563 . . . . 1.26 110.56 179.224 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 617' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.448 -0.566 0 CA-C-N 116.58 -0.282 . . . . 1.18 111.444 176.109 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 520' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.514 -0.434 0 CA-C-O 121.16 0.505 . . . . 2.22 110.784 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 521' ' ' VAL . . . . . 0.681 HG13 HD21 ' A' ' 599' ' ' LEU . 59.2 t -115.18 118.43 58.78 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.753 0 N-CA-C 109.113 -0.699 . . . . 0.32 109.113 169.404 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 522' ' ' VAL . . . . . 0.775 HG21 ' SD ' ' A' ' 563' ' ' MET . 21.9 t -121.59 123.5 69.62 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.976 0 N-CA-C 107.773 -1.195 . . . . 0.22 107.773 178.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 523' ' ' HIS . . . . . . . . . . . . . 48.0 t-80 -104.71 128.77 52.9 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-O 121.054 0.454 . . . . 0.44 109.928 -173.894 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 524' ' ' ILE . . . . . 0.44 HG23 HG12 ' A' ' 590' ' ' ILE . 31.6 mt -111.61 139.67 34.72 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.081 0 N-CA-C 108.352 -0.981 . . . . 0.19 108.352 178.745 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 525' ' ' CYS . . . . . 0.601 ' SG ' ' HB3' ' A' ' 589' ' ' LEU . 6.0 p -138.07 165.54 26.36 Favored 'General case' 0 C--N 1.313 -0.989 0 C-N-CA 120.448 -0.501 . . . . 1.17 111.342 -177.604 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 526' ' ' ASN . . . . . 0.484 ' HB2' ' O ' ' A' ' 525' ' ' CYS . 93.0 m-20 86.5 25.98 0.05 Allowed 'General case' 0 N--CA 1.468 0.47 0 O-C-N 124.985 1.428 . . . . 0.26 109.969 176.272 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 527' ' ' LEU . . . . . 0.538 ' HB3' ' SG ' ' A' ' 532' ' ' CYS . 79.2 mt -84.97 125.35 70.84 Favored Pre-proline 0 C--N 1.323 -0.57 0 CA-C-N 114.929 -1.032 . . . . 0.25 108.612 175.885 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 528' ' ' PRO . . . . . 0.425 ' HD3' ' HA ' ' A' ' 527' ' ' LEU . 2.6 Cg_exo -73.91 133.93 19.06 Favored 'Trans proline' 0 N--CA 1.457 -0.627 0 C-N-CA 121.509 1.473 . . . . 0.38 111.265 179.061 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 529' ' ' GLU . . . . . . . . . . . . . 66.9 tt0 -64.69 138.75 58.57 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 109.509 -0.552 . . . . 1.6 109.509 177.117 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 530' ' ' GLY . . . . . . . . . . . . . . . 87.7 3.52 80.55 Favored Glycine 0 N--CA 1.444 -0.782 0 C-N-CA 120.286 -0.959 . . . . 0.48 110.923 -173.034 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 531' ' ' SER . . . . . . . . . . . . . 48.8 m -148.04 2.74 0.69 Allowed 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.03 0.443 . . . . 1.08 110.358 -174.483 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 532' ' ' CYS . . . . . 0.538 ' SG ' ' HB3' ' A' ' 527' ' ' LEU . 35.0 m -89.08 85.72 6.74 Favored 'General case' 0 CA--C 1.513 -0.446 0 N-CA-C 108.404 -0.961 . . . . 0.25 108.404 178.712 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 533' ' ' THR . . . . . 0.528 ' O ' HG23 ' A' ' 537' ' ' VAL . 46.2 p -97.07 151.93 19.27 Favored 'General case' 0 C--N 1.314 -0.941 0 C-N-CA 119.737 -0.785 . . . . 0.35 109.015 -178.4 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 534' ' ' GLU . . . . . 0.487 ' N ' HD11 ' A' ' 552' ' ' LEU . 37.2 mt-10 -65.58 -33.27 75.51 Favored 'General case' 0 C--N 1.318 -0.764 0 N-CA-C 108.537 -0.912 . . . . 1.64 108.537 176.233 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 535' ' ' ASN . . . . . . . . . . . . . 12.6 m120 -62.39 -49.55 75.05 Favored 'General case' 0 C--O 1.213 -0.848 0 CA-C-N 114.682 -1.145 . . . . 1.82 111.644 -179.84 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 536' ' ' ASP . . . . . . . . . . . . . 18.6 m-20 -69.18 -45.67 69.4 Favored 'General case' 0 N--CA 1.47 0.568 0 CA-C-N 118.672 0.669 . . . . 0.61 111.101 -173.554 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 537' ' ' VAL . . . . . 0.528 HG23 ' O ' ' A' ' 533' ' ' THR . 35.7 t -59.77 -48.73 86.49 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 CA-C-N 114.938 -1.028 . . . . 0.15 110.055 -178.053 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 538' ' ' ILE . . . . . 0.723 HD11 ' CG ' ' A' ' 550' ' ' TYR . 41.7 mt -69.42 -34.48 62.43 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.658 0 CA-C-N 115.59 -0.732 . . . . 0.23 112.042 176.782 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 539' ' ' ASN . . . . . 0.478 ' HA ' HD11 ' A' ' 615' ' ' ILE . 9.2 m120 -59.21 -26.58 64.96 Favored 'General case' 0 CA--C 1.515 -0.37 0 O-C-N 122.239 -0.288 . . . . 0.25 110.661 178.476 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 540' ' ' LEU . . . . . . . . . . . . . 97.3 mt -75.83 -42.05 50.77 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 109.867 -0.419 . . . . 0.27 109.867 172.382 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 541' ' ' GLY . . . . . 0.531 ' HA3' HD21 ' A' ' 561' ' ' LEU . . . -63.31 -51.37 55.32 Favored Glycine 0 CA--C 1.524 0.607 0 N-CA-C 115.489 0.955 . . . . 0.19 115.489 -179.759 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 542' ' ' LEU . . . . . 0.478 HD13 HG12 ' A' ' 612' ' ' ILE . 74.1 mt -56.25 -45.82 99.87 Favored Pre-proline 0 C--N 1.319 -0.736 0 N-CA-C 114.548 1.314 . . . . 0.2 114.548 -169.339 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 543' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_exo -59.11 -25.55 78.38 Favored 'Trans proline' 0 C--N 1.349 0.574 0 C-N-CA 122.272 1.981 . . . . 0.23 114.143 -177.654 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 544' ' ' PHE . . . . . 0.448 ' HB2' ' HE2' ' A' ' 572' ' ' MET . 67.2 m-85 -98.93 -11.33 21.73 Favored 'General case' 0 C--N 1.331 -0.202 0 O-C-N 121.916 -0.49 . . . . 0.33 111.071 178.65 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 545' ' ' GLY . . . . . 0.439 ' O ' ' HA ' ' A' ' 542' ' ' LEU . . . 169.78 154.47 9.29 Favored Glycine 0 N--CA 1.449 -0.444 0 C-N-CA 120.976 -0.63 . . . . 0.44 112.122 -177.298 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 546' ' ' LYS . . . . . . . . . . . . . 40.4 ttmt -66.11 131.95 47.37 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 120.754 0.311 . . . . 2.07 111.066 -178.662 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 547' ' ' VAL . . . . . 0.598 ' HB ' HG11 ' A' ' 608' ' ' VAL . 69.9 t -90.08 116.72 31.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-N 116.01 -0.541 . . . . 0.2 111.034 177.517 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 548' ' ' THR . . . . . . . . . . . . . 21.4 p -94.65 -35.18 12.3 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 112.122 0.416 . . . . 0.31 112.122 178.14 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 549' ' ' ASN . . . . . 0.504 ' HB2' ' HB3' ' A' ' 562' ' ' GLU . 4.8 m-20 -140.9 150.09 42.74 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.828 0.347 . . . . 1.26 110.402 -176.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 550' ' ' TYR . . . . . 0.723 ' CG ' HD11 ' A' ' 538' ' ' ILE . 3.7 p90 -157.62 151.01 23.63 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.98 -0.555 . . . . 0.31 109.955 179.321 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 551' ' ' ILE . . . . . 0.495 ' HB ' ' HB2' ' A' ' 560' ' ' PHE . 72.1 mt -144.48 124.05 7.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 N-CA-C 108.801 -0.814 . . . . 0.22 108.801 -175.201 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 552' ' ' LEU . . . . . 0.487 HD11 ' N ' ' A' ' 534' ' ' GLU . 26.7 mt -108.32 119.03 38.31 Favored 'General case' 0 C--N 1.319 -0.752 0 C-N-CA 120.398 -0.521 . . . . 0.43 110.718 -179.034 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 553' ' ' MET . . . . . . . . . . . . . 61.2 mtm -109.54 83.38 1.74 Allowed 'General case' 0 C--N 1.32 -0.7 0 C-N-CA 119.676 -0.809 . . . . 1.03 109.252 178.837 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 554' ' ' LYS . . . . . 0.429 ' HD2' ' HB2' ' A' ' 532' ' ' CYS . 23.9 mmtp -53.35 -27.16 22.09 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 114.698 -1.137 . . . . 1.03 112.262 174.669 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 555' ' ' SER . . . . . . . . . . . . . 66.5 p -68.77 -44.14 74.3 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.986 0.422 . . . . 0.51 110.977 -175.593 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 556' ' ' THR . . . . . 0.458 ' O ' ' HG3' ' A' ' 558' ' ' GLN . 40.6 p -98.68 2.32 47.03 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 112.311 0.486 . . . . 0.45 112.311 -176.869 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 557' ' ' ASN . . . . . . . . . . . . . 36.5 m-80 58.31 39.16 25.81 Favored 'General case' 0 N--CA 1.467 0.424 0 CA-C-O 121.986 0.898 . . . . 1.28 110.104 -177.001 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 558' ' ' GLN . . . . . 0.458 ' HG3' ' O ' ' A' ' 556' ' ' THR . 73.0 mt-30 -139.83 164.35 30.21 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 114.593 -1.185 . . . . 0.84 108.988 -176.385 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 559' ' ' ALA . . . . . 0.432 ' HB1' HD23 ' A' ' 552' ' ' LEU . . . -157.02 164.63 37.76 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 120.942 0.401 . . . . 0.16 111.455 -177.503 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 560' ' ' PHE . . . . . 0.495 ' HB2' ' HB ' ' A' ' 551' ' ' ILE . 91.0 m-85 -120.96 148.78 43.62 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.013 -0.539 . . . . 0.35 110.953 177.3 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 561' ' ' LEU . . . . . 0.626 ' O ' ' HB ' ' A' ' 522' ' ' VAL . 55.5 tp -143.03 118.2 10.14 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.492 -0.776 . . . . 0.2 109.897 -178.73 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 562' ' ' GLU . . . . . 0.504 ' HB3' ' HB2' ' A' ' 549' ' ' ASN . 43.7 tt0 -101.14 131.22 47.19 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.44 0.638 . . . . 2.09 111.113 174.795 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 563' ' ' MET . . . . . 0.775 ' SD ' HG21 ' A' ' 522' ' ' VAL . 2.1 mpt? -102.9 146.81 27.74 Favored 'General case' 0 C--N 1.314 -0.947 0 CA-C-N 114.806 -1.088 . . . . 0.39 108.79 175.332 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 564' ' ' ALA . . . . . . . . . . . . . . . -66.56 -15.98 63.82 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.015 -0.539 . . . . 0.5 111.48 -172.785 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 565' ' ' TYR . . . . . 0.502 ' HB3' ' HG2' ' A' ' 567' ' ' GLU . 74.8 m-85 -138.89 138.27 37.27 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 109.111 -0.699 . . . . 1.15 109.111 -178.125 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 566' ' ' THR . . . . . . . . . . . . . 15.2 t -63.84 -26.59 68.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.145 -0.48 . . . . 0.57 110.726 -177.484 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 567' ' ' GLU . . . . . 0.502 ' HG2' ' HB3' ' A' ' 565' ' ' TYR . 4.0 pt-20 -55.99 -33.71 65.11 Favored 'General case' 0 C--N 1.334 -0.107 0 CA-C-N 116.07 -0.514 . . . . 0.89 111.25 175.722 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 568' ' ' ALA . . . . . 0.658 ' O ' ' HG3' ' A' ' 572' ' ' MET . . . -73.52 -42.65 61.49 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.027 -0.533 . . . . 0.26 110.472 -176.34 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 569' ' ' ALA . . . . . 0.5 ' O ' HG23 ' A' ' 573' ' ' VAL . . . -64.95 -45.39 85.96 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.003 -0.544 . . . . 0.24 111.039 -176.816 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 570' ' ' GLN . . . . . . . . . . . . . 18.6 pt20 -68.57 -35.87 77.98 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.037 -0.529 . . . . 1.24 110.779 -179.161 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 571' ' ' ALA . . . . . . . . . . . . . . . -62.53 -41.76 99.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.858 0.361 . . . . 0.31 110.747 177.764 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 572' ' ' MET . . . . . 0.658 ' HG3' ' O ' ' A' ' 568' ' ' ALA . 52.6 mtt -65.35 -43.44 90.85 Favored 'General case' 0 CA--C 1.516 -0.349 0 CA-C-N 116.105 -0.498 . . . . 0.47 110.744 -179.51 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 573' ' ' VAL . . . . . 0.533 ' O ' ' HG2' ' A' ' 577' ' ' GLN . 57.4 t -58.71 -47.13 89.91 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.371 0 N-CA-C 109.817 -0.438 . . . . 0.34 109.817 179.663 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 574' ' ' GLN . . . . . . . . . . . . . 45.2 mt-30 -60.81 -39.84 90.49 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.949 0.404 . . . . 2.09 110.719 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 575' ' ' TYR . . . . . . . . . . . . . 76.1 t80 -69.08 -51.97 33.19 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.879 -0.601 . . . . 0.48 111.035 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 576' ' ' TYR . . . . . 0.567 ' CE2' HD12 ' A' ' 590' ' ' ILE . 70.1 m-85 -76.42 -14.21 60.07 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 113.23 0.826 . . . . 0.36 113.23 -175.586 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 577' ' ' GLN . . . . . 0.533 ' HG2' ' O ' ' A' ' 573' ' ' VAL . 14.6 mm100 -68.46 -40.96 80.87 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 108.999 -0.741 . . . . 1.89 108.999 169.64 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 578' ' ' GLU . . . . . . . . . . . . . 8.5 mm-40 -85.22 -38.94 18.36 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-N 115.574 -0.739 . . . . 2.14 110.957 -179.849 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 579' ' ' LYS . . . . . 0.478 ' O ' ' HA ' ' A' ' 576' ' ' TYR . 28.6 mtpp -137.54 95.41 11.37 Favored Pre-proline 0 C--N 1.328 -0.339 0 C-N-CA 122.433 0.293 . . . . 2.46 110.844 178.067 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 580' ' ' PRO . . . . . . . . . . . . . 42.4 Cg_endo -67.06 160.78 45.69 Favored 'Trans proline' 0 C--O 1.235 0.36 0 C-N-CA 122.329 2.019 . . . . 0.37 111.614 176.915 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 581' ' ' ALA . . . . . 0.425 ' HB2' ' CE1' ' A' ' 576' ' ' TYR . . . -91.15 136.17 33.27 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 110.045 -0.354 . . . . 0.27 110.045 -177.481 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 582' ' ' ILE . . . . . . . . . . . . . 60.4 mt -101.05 118.44 47.78 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.935 0 CA-C-O 120.887 0.375 . . . . 0.51 111.233 -174.318 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 583' ' ' ILE . . . . . . . . . . . . . 28.5 mm -125.62 112.4 30.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-N 116.015 -0.539 . . . . 0.51 109.763 173.699 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 584' ' ' ASN . . . . . . . . . . . . . 3.3 m-20 57.97 36.59 26.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.42 0.629 . . . . 1.1 110.266 178.236 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 585' ' ' GLY . . . . . . . . . . . . . . . 84.52 -2.29 88.1 Favored Glycine 0 N--CA 1.445 -0.706 0 CA-C-N 115.08 -0.964 . . . . 0.44 113.358 179.67 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 586' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -101.05 125.71 47.68 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 117.236 0.518 . . . . 1.79 111.232 -178.179 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 587' ' ' LYS . . . . . . . . . . . . . 96.7 mttt -81.01 114.72 20.07 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.17 -0.923 . . . . 1.67 111.423 178.181 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 588' ' ' LEU . . . . . . . . . . . . . 35.7 mt -78.59 141.59 37.95 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.396 -0.82 . . . . 0.24 111.206 -177.235 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 589' ' ' LEU . . . . . 0.601 ' HB3' ' SG ' ' A' ' 525' ' ' CYS . 62.3 tp -112.89 112.03 23.21 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.702 -0.681 . . . . 0.38 110.324 177.413 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 590' ' ' ILE . . . . . 0.567 HD12 ' CE2' ' A' ' 576' ' ' TYR . 19.4 mt -102.21 117.87 48.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 N-CA-C 109.883 -0.414 . . . . 0.26 109.883 175.569 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 591' ' ' ARG . . . . . 0.475 ' NE ' HD11 ' A' ' 589' ' ' LEU . 99.4 mtt180 -145.95 165.97 27.41 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 109.741 -0.466 . . . . 2.62 109.741 -179.677 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 592' ' ' MET . . . . . . . . . . . . . 58.9 mtt -81.43 150.76 28.2 Favored 'General case' 0 C--N 1.323 -0.587 0 N-CA-C 110.262 -0.273 . . . . 0.34 110.262 -176.382 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 593' ' ' SER . . . . . 0.404 ' OG ' HG12 ' A' ' 521' ' ' VAL . 18.7 m -94.41 135.45 35.82 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.496 0.665 . . . . 1.37 111.089 -177.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 594' ' ' THR . . . . . . . . . . . . . 40.2 p -90.25 -9.18 48.92 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-N 114.343 -1.299 . . . . 0.38 112.425 -171.278 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 595' ' ' ARG . . . . . . . . . . . . . 68.2 mtp180 -102.94 -29.07 11.64 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 112.565 0.58 . . . . 2.75 112.565 -171.611 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 596' ' ' TYR . . . . . . . . . . . . . 97.7 m-85 -127.23 157.46 39.74 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.249 0.547 . . . . 0.65 112.051 -172.714 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 597' ' ' LYS . . . . . 0.416 ' C ' HG23 ' A' ' 521' ' ' VAL . 49.9 mtmt -107.89 -21.95 12.64 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.148 -0.933 . . . . 2.18 111.499 176.828 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 598' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -141.84 150.15 41.24 Favored 'General case' 0 C--N 1.33 -0.246 0 C-N-CA 120.262 -0.575 . . . . 0.95 111.61 -177.198 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 599' ' ' LEU . . . . . 0.681 HD21 HG13 ' A' ' 521' ' ' VAL . 63.2 mt -93.29 125.98 38.18 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.252 -0.885 . . . . 0.45 110.963 176.854 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 600' ' ' GLN . . . . . . . . . . . . . 53.2 tt0 -95.01 110.03 21.99 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.083 -0.508 . . . . 1.52 110.249 178.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 601' ' ' LEU . . . . . . . . . . . . . 81.9 mt -75.23 88.57 2.51 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.973 -0.558 . . . . 0.46 111.214 -178.002 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 602' ' ' LYS . . . . . . . . . . . . . 60.7 mttm -76.44 -15.25 59.97 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.492 -0.776 . . . . 1.73 110.728 176.643 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 603' ' ' LYS . . . . . . . . . . . . . 74.4 mmtt . . . . . 0 C--N 1.323 -0.574 0 CA-C-N 116.077 -0.511 . . . . 1.69 110.59 -176.642 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 607' ' ' ASN . . . . . . . . . . . . . 62.3 t30 . . . . . 0 C--O 1.23 0.071 0 CA-C-O 121.014 0.435 . . . . 1.33 110.627 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 608' ' ' VAL . . . . . 0.598 HG11 ' HB ' ' A' ' 547' ' ' VAL . 58.1 t -77.57 -19.48 14.04 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-N 115.901 -0.591 . . . . 0.3 111.32 -173.892 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 609' ' ' ALA . . . . . . . . . . . . . . . -59.74 -35.78 75.26 Favored 'General case' 0 C--O 1.237 0.414 0 CA-C-O 121.179 0.514 . . . . 0.44 111.017 176.552 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 610' ' ' ALA . . . . . . . . . . . . . . . -64.02 -29.12 70.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.976 -0.556 . . . . 0.4 110.507 178.385 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 611' ' ' ILE . . . . . 0.508 ' CD1' HD12 ' A' ' 538' ' ' ILE . 73.1 mt -71.18 -30.93 42.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-N 115.714 -0.676 . . . . 0.25 109.933 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 612' ' ' ILE . . . . . 0.478 HG12 HD13 ' A' ' 542' ' ' LEU . 55.0 mt -61.73 -40.19 85.94 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.22 0 CA-C-O 121.32 0.581 . . . . 0.31 109.596 172.07 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 613' ' ' GLN . . . . . . . . . . . . . 18.2 mt-30 -63.24 -34.81 78.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.504 -0.771 . . . . 2.31 109.705 177.215 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 614' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -65.32 -40.55 93.87 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.035 -0.984 . . . . 1.95 110.427 178.097 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 615' ' ' ILE . . . . . 0.478 HD11 ' HA ' ' A' ' 539' ' ' ASN . 73.9 mt -63.15 -35.28 71.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-O 121.022 0.439 . . . . 0.35 110.347 177.114 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 616' ' ' HIS . . . . . . . . . . . . . 63.4 m170 -63.93 -38.96 92.99 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.989 -0.551 . . . . 1.26 110.868 -178.791 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 617' ' ' SER . . . . . . . . . . . . . 1.3 p . . . . . 0 N--CA 1.453 -0.288 0 CA-C-O 120.762 0.315 . . . . 1.18 111.226 176.504 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 520' ' ' ARG . . . . . . . . . . . . . 37.9 mtm-85 . . . . . 0 CA--C 1.52 -0.188 0 CA-C-O 120.969 0.414 . . . . 2.22 111.137 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 521' ' ' VAL . . . . . 0.535 HG13 HD21 ' A' ' 599' ' ' LEU . 86.8 t -118.03 123.78 72.15 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 CA-C-N 115.651 -0.704 . . . . 0.32 110.484 167.426 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 522' ' ' VAL . . . . . 0.522 ' HB ' ' O ' ' A' ' 561' ' ' LEU . 21.5 t -120.32 122.97 69.62 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.863 0 N-CA-C 107.725 -1.213 . . . . 0.22 107.725 176.172 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 523' ' ' HIS . . . . . . . . . . . . . 43.5 t-80 -104.92 132.84 50.65 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 121.301 0.572 . . . . 0.44 110.785 -171.873 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 524' ' ' ILE . . . . . 0.458 HG23 HG12 ' A' ' 590' ' ' ILE . 33.1 mt -111.03 139.59 34.21 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.824 0 CA-C-N 115.233 -0.894 . . . . 0.19 108.919 179.119 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 525' ' ' CYS . . . . . 0.417 ' O ' ' HB2' ' A' ' 526' ' ' ASN . 38.4 t -134.12 160.43 37.82 Favored 'General case' 0 C--N 1.314 -0.95 0 CA-C-N 116.656 -0.247 . . . . 1.17 110.594 -177.692 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 526' ' ' ASN . . . . . 0.417 ' HB2' ' O ' ' A' ' 525' ' ' CYS . 84.0 m-20 83.92 29.61 0.07 Allowed 'General case' 0 N--CA 1.468 0.466 0 O-C-N 124.599 1.187 . . . . 0.26 110.613 173.363 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 527' ' ' LEU . . . . . 0.565 ' HB3' ' SG ' ' A' ' 532' ' ' CYS . 80.9 mt -88.01 124.45 66.89 Favored Pre-proline 0 C--N 1.323 -0.585 0 N-CA-C 108.291 -1.003 . . . . 0.25 108.291 174.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 528' ' ' PRO . . . . . 0.441 ' HD3' ' HA ' ' A' ' 527' ' ' LEU . 2.8 Cg_exo -74.44 133.7 17.83 Favored 'Trans proline' 0 N--CA 1.459 -0.523 0 C-N-CA 121.674 1.583 . . . . 0.38 112.145 -178.405 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 529' ' ' GLU . . . . . . . . . . . . . 45.4 tt0 -64.96 130.93 45.18 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.5 -0.555 . . . . 1.6 109.5 176.794 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 530' ' ' GLY . . . . . . . . . . . . . . . 94.48 2.76 63.33 Favored Glycine 0 N--CA 1.447 -0.62 0 C-N-CA 120.497 -0.859 . . . . 0.48 110.965 -173.208 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 531' ' ' SER . . . . . . . . . . . . . 28.5 t -144.46 2.72 1.11 Allowed 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.515 0.674 . . . . 1.08 109.484 -178.15 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 532' ' ' CYS . . . . . 0.565 ' SG ' ' HB3' ' A' ' 527' ' ' LEU . 84.1 m -89.82 87.12 6.84 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 108.915 -0.772 . . . . 0.25 108.915 -178.5 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 533' ' ' THR . . . . . 0.456 ' O ' HG23 ' A' ' 537' ' ' VAL . 26.5 p -101.63 152.38 20.89 Favored 'General case' 0 C--N 1.318 -0.77 0 N-CA-C 108.705 -0.85 . . . . 0.35 108.705 -179.709 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 534' ' ' GLU . . . . . 0.782 ' HA ' HD11 ' A' ' 552' ' ' LEU . 1.7 mp0 -63.74 -34.15 77.24 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 121.329 0.585 . . . . 1.64 109.491 177.673 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 535' ' ' ASN . . . . . . . . . . . . . 4.9 t30 -63.25 -48.09 79.7 Favored 'General case' 0 N--CA 1.445 -0.69 0 CA-C-N 114.932 -1.031 . . . . 1.82 111.161 -177.247 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 536' ' ' ASP . . . . . . . . . . . . . 34.1 m-20 -69.71 -45.65 67.76 Favored 'General case' 0 N--CA 1.476 0.839 0 CA-C-O 121.536 0.684 . . . . 0.61 111.348 -173.391 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 537' ' ' VAL . . . . . 0.456 HG23 ' O ' ' A' ' 533' ' ' THR . 38.4 t -59.62 -45.67 93.96 Favored 'Isoleucine or valine' 0 C--O 1.242 0.66 0 CA-C-N 114.916 -1.038 . . . . 0.15 109.631 -179.056 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 538' ' ' ILE . . . . . 0.612 HG23 HG21 ' A' ' 547' ' ' VAL . 62.0 mt -67.84 -33.45 61.61 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 CA-C-N 115.25 -0.886 . . . . 0.23 111.23 175.338 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 539' ' ' ASN . . . . . 0.542 ' HA ' HD11 ' A' ' 615' ' ' ILE . 11.9 m120 -58.02 -28.42 64.44 Favored 'General case' 0 CA--C 1.512 -0.503 0 O-C-N 122.372 -0.205 . . . . 0.25 110.571 178.015 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 540' ' ' LEU . . . . . 0.498 HD11 HD12 ' A' ' 588' ' ' LEU . 93.8 mt -76.32 -41.41 48.59 Favored 'General case' 0 C--N 1.323 -0.575 0 C-N-CA 120.607 -0.437 . . . . 0.27 110.177 174.152 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 541' ' ' GLY . . . . . 0.502 ' CA ' HD21 ' A' ' 561' ' ' LEU . . . -60.96 -51.45 58.52 Favored Glycine 0 CA--C 1.522 0.514 0 N-CA-C 115.443 0.937 . . . . 0.19 115.443 179.839 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 542' ' ' LEU . . . . . 0.552 ' HA ' ' O ' ' A' ' 545' ' ' GLY . 81.8 mt -60.26 -43.74 94.31 Favored Pre-proline 0 CA--C 1.542 0.637 0 N-CA-C 115.038 1.495 . . . . 0.2 115.038 -168.084 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 543' ' ' PRO . . . . . . . . . . . . . 58.6 Cg_exo -58.04 -27.22 78.66 Favored 'Trans proline' 0 C--N 1.35 0.614 0 C-N-CA 122.169 1.913 . . . . 0.23 113.852 -177.906 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 544' ' ' PHE . . . . . 0.653 ' HB2' ' HE1' ' A' ' 572' ' ' MET . 81.8 m-85 -100.64 -16.64 17.36 Favored 'General case' 0 C--N 1.33 -0.242 0 O-C-N 122.043 -0.411 . . . . 0.33 111.109 178.502 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 545' ' ' GLY . . . . . 0.552 ' O ' ' HA ' ' A' ' 542' ' ' LEU . . . 179.3 156.19 16.86 Favored Glycine 0 N--CA 1.449 -0.479 0 C-N-CA 120.541 -0.838 . . . . 0.44 112.486 179.016 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 546' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -67.08 132.03 47.02 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 120.915 0.388 . . . . 2.07 110.815 -178.647 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 547' ' ' VAL . . . . . 0.612 HG21 HG23 ' A' ' 538' ' ' ILE . 70.9 t -87.7 115.28 27.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-N 116.038 -0.528 . . . . 0.2 110.34 178.743 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 548' ' ' THR . . . . . . . . . . . . . 20.6 p -98.33 -33.86 10.9 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.978 -0.556 . . . . 0.31 111.648 178.47 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 549' ' ' ASN . . . . . 0.407 ' HB2' ' CD ' ' A' ' 562' ' ' GLU . 90.3 m-20 -141.84 157.34 45.11 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.18 0.514 . . . . 1.26 110.635 176.189 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 550' ' ' TYR . . . . . 0.434 ' CD1' HD11 ' A' ' 538' ' ' ILE . 3.3 p90 -162.22 151.53 15.75 Favored 'General case' 0 C--N 1.317 -0.832 0 CA-C-N 115.427 -0.806 . . . . 0.31 109.035 179.284 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 551' ' ' ILE . . . . . . . . . . . . . 35.9 mt -142.84 122.43 9.25 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 N-CA-C 108.081 -1.081 . . . . 0.22 108.081 179.292 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 552' ' ' LEU . . . . . 0.782 HD11 ' HA ' ' A' ' 534' ' ' GLU . 20.5 mt -110.33 127.29 54.96 Favored 'General case' 0 C--N 1.312 -1.044 0 C-N-CA 119.194 -1.002 . . . . 0.43 110.086 -178.84 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 553' ' ' MET . . . . . . . . . . . . . 65.5 mtm -108.84 83.74 1.81 Allowed 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 108.505 -0.924 . . . . 1.03 108.505 178.49 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 554' ' ' LYS . . . . . 0.531 ' HD2' ' HB2' ' A' ' 532' ' ' CYS . 16.1 mmtp -53.25 -29.06 30.7 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 114.997 -1.002 . . . . 1.03 111.938 177.124 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 555' ' ' SER . . . . . . . . . . . . . 67.2 p -70.8 -40.89 72.25 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 120.695 0.283 . . . . 0.51 111.739 -174.818 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 556' ' ' THR . . . . . . . . . . . . . 42.1 p -98.5 3.99 48.25 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 112.064 0.394 . . . . 0.45 112.064 -176.168 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 557' ' ' ASN . . . . . . . . . . . . . 30.1 m-80 58.17 38.43 26.33 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-O 121.392 0.615 . . . . 1.28 110.555 -177.163 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 558' ' ' GLN . . . . . . . . . . . . . 77.8 mt-30 -143.3 164.35 30.48 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.554 -0.748 . . . . 0.84 109.665 -176.516 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 559' ' ' ALA . . . . . . . . . . . . . . . -157.44 166.22 33.59 Favored 'General case' 0 N--CA 1.451 -0.421 0 CA-C-O 121.594 0.711 . . . . 0.16 112.882 -176.255 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 560' ' ' PHE . . . . . . . . . . . . . 97.7 m-85 -120.61 139.18 53.35 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 114.902 -1.044 . . . . 0.35 109.838 175.446 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 561' ' ' LEU . . . . . 0.522 ' O ' ' HB ' ' A' ' 522' ' ' VAL . 45.7 tp -134.33 119.47 18.71 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 120.988 0.423 . . . . 0.2 110.313 -179.724 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 562' ' ' GLU . . . . . 0.788 ' HB2' HD12 ' A' ' 599' ' ' LEU . 34.5 tt0 -100.55 122.57 43.47 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.478 0.656 . . . . 2.09 111.021 -179.327 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 563' ' ' MET . . . . . 0.639 ' HE1' ' HG3' ' A' ' 572' ' ' MET . 0.0 OUTLIER -102.49 157.76 16.69 Favored 'General case' 0 C--N 1.317 -0.821 0 CA-C-N 114.865 -1.061 . . . . 0.39 108.781 177.654 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 564' ' ' ALA . . . . . . . . . . . . . . . -76.91 -16.32 59.42 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 111.869 0.322 . . . . 0.5 111.869 -172.542 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 565' ' ' TYR . . . . . 0.436 ' HB3' ' HG2' ' A' ' 567' ' ' GLU . 77.8 m-85 -141.13 150.06 42.34 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.018 0.437 . . . . 1.15 110.509 178.102 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 566' ' ' THR . . . . . . . . . . . . . 12.2 t -67.91 -26.93 66.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.687 -0.688 . . . . 0.57 110.363 -179.74 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 567' ' ' GLU . . . . . 0.524 ' HA ' HE21 ' A' ' 570' ' ' GLN . 10.9 pt-20 -57.04 -32.57 66.33 Favored 'General case' 0 CA--C 1.524 -0.054 0 CA-C-N 115.951 -0.568 . . . . 0.89 110.703 175.39 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 568' ' ' ALA . . . . . 0.759 ' O ' ' HG2' ' A' ' 572' ' ' MET . . . -73.61 -42.38 61.58 Favored 'General case' 0 N--CA 1.449 -0.524 0 CA-C-N 115.678 -0.692 . . . . 0.26 109.852 -179.6 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 569' ' ' ALA . . . . . 0.438 ' O ' HG23 ' A' ' 573' ' ' VAL . . . -63.55 -45.25 91.4 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.771 -0.649 . . . . 0.24 111.526 -175.282 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 570' ' ' GLN . . . . . 0.524 HE21 ' HA ' ' A' ' 567' ' ' GLU . 25.5 pt20 -68.83 -35.24 76.72 Favored 'General case' 0 C--N 1.328 -0.369 0 C-N-CA 120.657 -0.417 . . . . 1.24 110.365 178.522 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 571' ' ' ALA . . . . . . . . . . . . . . . -61.54 -38.2 86.57 Favored 'General case' 0 N--CA 1.454 -0.262 0 CA-C-N 116.391 -0.368 . . . . 0.31 110.322 177.525 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 572' ' ' MET . . . . . 0.759 ' HG2' ' O ' ' A' ' 568' ' ' ALA . 17.7 mmt -60.08 -49.76 76.39 Favored 'General case' 0 CA--C 1.517 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.47 109.775 176.339 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 573' ' ' VAL . . . . . 0.57 HG22 ' HA ' ' A' ' 591' ' ' ARG . 58.5 t -63.57 -49.28 83.12 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.376 0 CA-C-N 115.506 -0.77 . . . . 0.34 110.193 -175.735 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 574' ' ' GLN . . . . . 0.504 ' HG2' ' O ' ' A' ' 570' ' ' GLN . 16.2 mm100 -62.26 -37.97 87.5 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.369 -0.378 . . . . 2.09 110.608 -178.027 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 575' ' ' TYR . . . . . . . . . . . . . 62.5 t80 -69.79 -54.44 13.64 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.151 -0.477 . . . . 0.48 111.257 -178.177 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 576' ' ' TYR . . . . . 0.596 ' CE2' HD12 ' A' ' 590' ' ' ILE . 65.3 m-85 -77.94 -14.1 59.65 Favored 'General case' 0 N--CA 1.465 0.295 0 N-CA-C 113.474 0.916 . . . . 0.36 113.474 -173.829 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 577' ' ' GLN . . . . . 0.457 ' HG2' ' O ' ' A' ' 573' ' ' VAL . 13.9 mm100 -67.28 -42.83 83.14 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 109.439 -0.578 . . . . 1.89 109.439 172.125 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 578' ' ' GLU . . . . . . . . . . . . . 31.1 mm-40 -91.5 -38.17 12.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.812 -0.631 . . . . 2.14 111.495 -179.745 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 579' ' ' LYS . . . . . 0.43 ' O ' ' HA ' ' A' ' 576' ' ' TYR . 62.6 mttp -128.16 85.36 60.72 Favored Pre-proline 0 C--N 1.329 -0.301 0 N-CA-C 110.043 -0.355 . . . . 2.46 110.043 177.476 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 580' ' ' PRO . . . . . . . . . . . . . 37.6 Cg_endo -66.11 159.34 50.01 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.375 2.05 . . . . 0.37 112.601 -177.836 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 581' ' ' ALA . . . . . 0.524 ' HB2' ' CE1' ' A' ' 576' ' ' TYR . . . -92.11 134.89 34.43 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 109.632 -0.507 . . . . 0.27 109.632 177.942 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 582' ' ' ILE . . . . . . . . . . . . . 67.8 mt -104.02 120.37 54.13 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.704 0 CA-C-O 120.791 0.329 . . . . 0.51 111.594 -175.214 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 583' ' ' ILE . . . . . 0.461 ' CG1' HD11 ' A' ' 588' ' ' LEU . 28.1 mm -125.56 115.11 42.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 N-CA-C 109.618 -0.512 . . . . 0.51 109.618 173.844 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 584' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 58.47 33.55 23.21 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.286 0.565 . . . . 1.1 110.197 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 585' ' ' GLY . . . . . . . . . . . . . . . 85.57 -0.16 88.18 Favored Glycine 0 N--CA 1.446 -0.666 0 CA-C-N 115.457 -0.792 . . . . 0.44 113.534 178.697 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 586' ' ' GLU . . . . . . . . . . . . . 76.3 mm-40 -101.48 126.79 48.32 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 117.412 0.606 . . . . 1.79 111.262 -179.2 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 587' ' ' LYS . . . . . . . . . . . . . 58.9 mttp -73.98 113.77 11.54 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.446 -0.797 . . . . 1.67 110.595 174.443 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 588' ' ' LEU . . . . . 0.498 HD12 HD11 ' A' ' 540' ' ' LEU . 45.3 mt -75.86 141.03 42.52 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 116.018 -0.537 . . . . 0.24 110.76 -178.596 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 589' ' ' LEU . . . . . 0.445 HD11 ' CZ ' ' A' ' 591' ' ' ARG . 35.5 tp -112.23 111.08 21.71 Favored 'General case' 0 C--N 1.317 -0.84 0 CA-C-N 115.765 -0.652 . . . . 0.38 110.467 -179.937 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 590' ' ' ILE . . . . . 0.596 HD12 ' CE2' ' A' ' 576' ' ' TYR . 17.4 mt -107.21 118.58 55.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 N-CA-C 110.193 -0.299 . . . . 0.26 110.193 175.862 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 591' ' ' ARG . . . . . 0.57 ' HA ' HG22 ' A' ' 573' ' ' VAL . 97.4 mtt180 -145.23 166.45 25.45 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 109.763 -0.458 . . . . 2.62 109.763 -178.405 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 592' ' ' MET . . . . . . . . . . . . . 39.5 mtt -76.92 151.24 35.84 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 120.717 0.294 . . . . 0.34 110.639 -177.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 593' ' ' SER . . . . . . . . . . . . . 45.3 t -87.14 134.86 33.47 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.264 0.554 . . . . 1.37 110.872 -179.616 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 594' ' ' THR . . . . . . . . . . . . . 19.3 p -90.83 -16.27 28.56 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 114.932 -1.031 . . . . 0.38 110.927 177.28 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 595' ' ' ARG . . . . . . . . . . . . . 98.2 mtt180 -102.9 -28.61 11.94 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 112.697 0.629 . . . . 2.75 112.697 -169.118 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 596' ' ' TYR . . . . . . . . . . . . . 96.9 m-85 -127.82 144.02 51.1 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.79 0.328 . . . . 0.65 111.778 -176.738 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 597' ' ' LYS . . . . . 0.41 ' N ' ' HD2' ' A' ' 597' ' ' LYS . 9.0 mptt -109.05 -9.95 15.04 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.065 -0.516 . . . . 2.18 111.552 175.604 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 598' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -143.84 149.51 37.08 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 120.488 -0.485 . . . . 0.95 110.808 -178.466 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 599' ' ' LEU . . . . . 0.788 HD12 ' HB2' ' A' ' 562' ' ' GLU . 33.3 mt -101.02 123.03 44.58 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.789 -0.641 . . . . 0.45 111.45 176.289 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 600' ' ' GLN . . . . . . . . . . . . . 50.3 tt0 -102.56 110.65 22.66 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.58 -0.736 . . . . 1.52 109.813 176.044 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 601' ' ' LEU . . . . . . . . . . . . . 29.7 mt -77.53 104.33 7.99 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.528 -0.306 . . . . 0.46 111.36 -178.336 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 602' ' ' LYS . . . . . . . . . . . . . 33.8 mtmt -82.57 -20.06 37.27 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 109.409 -0.589 . . . . 1.73 109.409 172.079 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 603' ' ' LYS . . . . . . . . . . . . . 34.4 mmtp . . . . . 0 C--N 1.326 -0.441 0 CA-C-N 115.357 -0.838 . . . . 1.69 110.049 -178.694 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 607' ' ' ASN . . . . . . . . . . . . . 47.0 t30 . . . . . 0 C--O 1.234 0.26 0 CA-C-O 121.026 0.441 . . . . 1.33 111.425 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 608' ' ' VAL . . . . . 0.533 HG11 ' HB ' ' A' ' 547' ' ' VAL . 56.6 t -95.36 -22.48 5.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 115.849 -0.614 . . . . 0.3 110.359 178.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 609' ' ' ALA . . . . . . . . . . . . . . . -58.35 -29.07 65.68 Favored 'General case' 0 C--O 1.236 0.394 0 CA-C-O 121.381 0.61 . . . . 0.44 111.229 176.641 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 610' ' ' ALA . . . . . . . . . . . . . . . -64.16 -28.2 69.59 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.968 -0.56 . . . . 0.4 110.192 177.351 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 611' ' ' ILE . . . . . 0.441 ' O ' HG13 ' A' ' 615' ' ' ILE . 74.6 mt -71.37 -29.71 36.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 115.72 -0.673 . . . . 0.25 109.894 177.856 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 612' ' ' ILE . . . . . 0.469 ' CG1' HD13 ' A' ' 542' ' ' LEU . 79.1 mt -60.82 -44.3 97.31 Favored 'Isoleucine or valine' 0 C--O 1.234 0.273 0 CA-C-O 121.284 0.564 . . . . 0.31 109.681 173.538 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 613' ' ' GLN . . . . . . . . . . . . . 74.5 mt-30 -65.67 -31.23 72.13 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.562 -0.744 . . . . 2.31 110.186 177.48 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 614' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -65.8 -44.36 85.91 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.249 -0.887 . . . . 1.95 109.824 178.013 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 615' ' ' ILE . . . . . 0.542 HD11 ' HA ' ' A' ' 539' ' ' ASN . 85.9 mt -59.43 -46.14 92.99 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-N 115.739 -0.664 . . . . 0.35 110.488 176.878 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 616' ' ' HIS . . . . . . . . . . . . . 27.8 m-70 -64.01 -27.85 69.4 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.267 -0.424 . . . . 1.26 111.569 -179.565 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 617' ' ' SER . . . . . . . . . . . . . 45.9 m . . . . . 0 C--N 1.322 -0.595 0 CA-C-O 120.917 0.389 . . . . 1.18 110.633 178.196 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 520' ' ' ARG . . . . . 0.545 ' NH2' ' HB2' ' A' ' 563' ' ' MET . 20.0 mtm105 . . . . . 0 N--CA 1.451 -0.377 0 CA-C-O 121.028 0.442 . . . . 2.22 110.851 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 521' ' ' VAL . . . . . 0.772 HG13 HD21 ' A' ' 599' ' ' LEU . 99.7 t -116.39 122.75 70.44 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 CA-C-N 115.789 -0.641 . . . . 0.32 110.738 172.043 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 522' ' ' VAL . . . . . 0.56 ' HB ' ' O ' ' A' ' 561' ' ' LEU . 28.8 t -118.93 121.09 65.98 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.749 0 N-CA-C 107.216 -1.402 . . . . 0.22 107.216 172.639 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 523' ' ' HIS . . . . . . . . . . . . . 41.1 t-80 -106.37 132.72 52.07 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-O 121.178 0.513 . . . . 0.44 110.572 -171.902 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 524' ' ' ILE . . . . . 0.466 HG23 HG12 ' A' ' 590' ' ' ILE . 37.3 mt -111.19 139.33 35.65 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.915 0 N-CA-C 108.63 -0.878 . . . . 0.19 108.63 178.079 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 525' ' ' CYS . . . . . 0.51 ' SG ' ' HG2' ' A' ' 558' ' ' GLN . 46.8 t -134.41 162.03 33.36 Favored 'General case' 0 C--N 1.313 -1.007 0 C-N-CA 120.907 -0.317 . . . . 1.17 110.771 -176.475 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 526' ' ' ASN . . . . . 0.461 ' HB2' ' O ' ' A' ' 525' ' ' CYS . 88.1 m-20 85.91 28.19 0.05 OUTLIER 'General case' 0 N--CA 1.467 0.405 0 O-C-N 124.587 1.179 . . . . 0.26 110.586 172.587 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 527' ' ' LEU . . . . . . . . . . . . . 81.3 mt -89.43 123.88 65.77 Favored Pre-proline 0 C--N 1.323 -0.586 0 N-CA-C 108.621 -0.881 . . . . 0.25 108.621 177.201 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 528' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -73.19 134.14 20.62 Favored 'Trans proline' 0 N--CA 1.454 -0.8 0 C-N-CA 121.321 1.348 . . . . 0.38 111.934 -176.917 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 529' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -64.25 131.01 46.11 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 109.441 -0.577 . . . . 1.6 109.441 175.131 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 530' ' ' GLY . . . . . . . . . . . . . . . 92.87 3.62 65.84 Favored Glycine 0 N--CA 1.445 -0.747 0 N-CA-C 110.473 -1.051 . . . . 0.48 110.473 -171.873 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 531' ' ' SER . . . . . . . . . . . . . 49.3 m -148.9 7.33 0.72 Allowed 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.188 -0.506 . . . . 1.08 110.305 -177.112 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 532' ' ' CYS . . . . . 0.448 ' HB2' ' HG3' ' A' ' 554' ' ' LYS . 63.2 m -90.77 82.93 5.69 Favored 'General case' 0 CA--C 1.512 -0.498 0 N-CA-C 108.896 -0.779 . . . . 0.25 108.896 178.492 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 533' ' ' THR . . . . . 0.432 ' O ' HG23 ' A' ' 537' ' ' VAL . 27.9 p -96.75 151.81 19.28 Favored 'General case' 0 N--CA 1.442 -0.847 0 N-CA-C 108.7 -0.852 . . . . 0.35 108.7 -178.479 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 534' ' ' GLU . . . . . 0.504 ' HA ' HD11 ' A' ' 552' ' ' LEU . 45.7 mt-10 -65.97 -34.41 78.05 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-O 121.607 0.718 . . . . 1.64 109.181 177.437 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 535' ' ' ASN . . . . . . . . . . . . . 3.9 t30 -65.05 -48.71 72.86 Favored 'General case' 0 N--CA 1.445 -0.702 0 CA-C-N 114.531 -1.213 . . . . 1.82 111.347 -175.728 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 536' ' ' ASP . . . . . . . . . . . . . 28.6 m-20 -69.53 -43.98 71.9 Favored 'General case' 0 N--CA 1.476 0.834 0 CA-C-O 121.399 0.619 . . . . 0.61 111.341 -173.574 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 537' ' ' VAL . . . . . 0.432 HG23 ' O ' ' A' ' 533' ' ' THR . 49.8 t -59.69 -46.93 92.88 Favored 'Isoleucine or valine' 0 C--O 1.24 0.604 0 CA-C-N 115.088 -0.96 . . . . 0.15 110.043 -179.26 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 538' ' ' ILE . . . . . 0.527 HD11 ' CG ' ' A' ' 550' ' ' TYR . 51.6 mt -68.11 -33.0 58.44 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.8 0 CA-C-N 115.274 -0.875 . . . . 0.23 111.301 175.384 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 539' ' ' ASN . . . . . 0.638 ' HA ' HD11 ' A' ' 615' ' ' ILE . 11.5 m120 -57.81 -26.64 62.24 Favored 'General case' 0 N--CA 1.466 0.365 0 C-N-CA 121.023 -0.271 . . . . 0.25 110.508 176.223 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 540' ' ' LEU . . . . . 0.502 HD11 HD12 ' A' ' 588' ' ' LEU . 84.5 mt -75.97 -42.79 47.31 Favored 'General case' 0 C--N 1.323 -0.585 0 C-N-CA 120.453 -0.499 . . . . 0.27 110.013 173.568 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 541' ' ' GLY . . . . . . . . . . . . . . . -65.17 -50.8 55.12 Favored Glycine 0 CA--C 1.526 0.749 0 N-CA-C 115.834 1.094 . . . . 0.19 115.834 -178.053 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 542' ' ' LEU . . . . . 0.595 ' HB2' ' CD1' ' A' ' 615' ' ' ILE . 59.2 mt -63.22 -40.91 65.2 Favored Pre-proline 0 C--N 1.32 -0.687 0 N-CA-C 115.398 1.629 . . . . 0.2 115.398 -168.137 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 543' ' ' PRO . . . . . 0.549 ' HG3' HG21 ' A' ' 615' ' ' ILE . 40.7 Cg_exo -63.4 -26.15 70.88 Favored 'Trans proline' 0 CA--C 1.531 0.334 0 C-N-CA 121.518 1.479 . . . . 0.23 113.33 -178.879 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 544' ' ' PHE . . . . . 0.481 ' HB2' ' HE2' ' A' ' 572' ' ' MET . 87.5 m-85 -101.28 -15.83 17.15 Favored 'General case' 0 C--N 1.331 -0.201 0 C-N-CA 120.667 -0.413 . . . . 0.33 111.643 178.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 545' ' ' GLY . . . . . 0.551 ' O ' ' HA ' ' A' ' 542' ' ' LEU . . . -170.24 179.94 42.13 Favored Glycine 0 C--O 1.224 -0.494 0 C-N-CA 120.342 -0.933 . . . . 0.44 112.357 -176.242 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 546' ' ' LYS . . . . . 0.436 ' HB3' ' HB2' ' A' ' 564' ' ' ALA . 24.0 ttmm -94.82 122.43 37.44 Favored 'General case' 0 C--N 1.318 -0.783 0 N-CA-C 109.525 -0.546 . . . . 2.07 109.525 -178.034 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 547' ' ' VAL . . . . . 0.602 ' HB ' HG11 ' A' ' 608' ' ' VAL . 81.1 t -88.75 114.94 27.83 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-O 121.001 0.429 . . . . 0.2 110.757 177.62 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 548' ' ' THR . . . . . . . . . . . . . 23.8 p -101.34 -35.53 9.2 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.095 -0.502 . . . . 0.31 112.046 176.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 549' ' ' ASN . . . . . 0.438 ' HB2' ' HB3' ' A' ' 562' ' ' GLU . 6.4 m-20 -140.37 152.01 45.43 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.016 0.436 . . . . 1.26 109.956 -178.645 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 550' ' ' TYR . . . . . 0.527 ' CG ' HD11 ' A' ' 538' ' ' ILE . 7.3 p90 -161.13 151.11 17.31 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.685 -0.689 . . . . 0.31 109.684 -177.439 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 551' ' ' ILE . . . . . 0.514 ' HB ' ' HB2' ' A' ' 560' ' ' PHE . 64.5 mt -144.0 126.47 11.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 N-CA-C 108.346 -0.983 . . . . 0.22 108.346 -175.49 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 552' ' ' LEU . . . . . 0.504 HD11 ' HA ' ' A' ' 534' ' ' GLU . 21.9 mt -107.13 119.88 40.59 Favored 'General case' 0 C--N 1.313 -0.987 0 C-N-CA 120.243 -0.583 . . . . 0.43 111.094 -177.231 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 553' ' ' MET . . . . . . . . . . . . . 68.0 mtm -109.31 81.19 1.4 Allowed 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.911 0.862 . . . . 1.03 109.511 179.774 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 554' ' ' LYS . . . . . 0.509 ' CD ' ' H ' ' A' ' 554' ' ' LYS . 0.2 OUTLIER -53.56 -27.99 29.3 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 114.174 -1.376 . . . . 1.03 112.692 173.15 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 555' ' ' SER . . . . . . . . . . . . . 61.2 p -69.39 -44.24 71.88 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 120.848 0.356 . . . . 0.51 111.113 -174.617 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 556' ' ' THR . . . . . 0.405 ' O ' ' HG3' ' A' ' 558' ' ' GLN . 40.6 p -99.2 4.56 46.76 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 112.422 0.527 . . . . 0.45 112.422 -177.887 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 557' ' ' ASN . . . . . . . . . . . . . 40.0 m-80 59.69 39.84 20.58 Favored 'General case' 0 N--CA 1.468 0.453 0 CA-C-O 121.769 0.795 . . . . 1.28 110.145 -176.581 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 558' ' ' GLN . . . . . 0.51 ' HG2' ' SG ' ' A' ' 525' ' ' CYS . 75.2 mt-30 -139.82 167.74 21.42 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 114.844 -1.071 . . . . 0.84 109.705 -175.528 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 559' ' ' ALA . . . . . . . . . . . . . . . -158.34 166.66 31.73 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.061 0.457 . . . . 0.16 111.783 -179.56 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 560' ' ' PHE . . . . . 0.514 ' HB2' ' HB ' ' A' ' 551' ' ' ILE . 76.7 m-85 -119.15 147.0 44.67 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.916 -0.584 . . . . 0.35 110.785 177.527 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 561' ' ' LEU . . . . . 0.56 ' O ' ' HB ' ' A' ' 522' ' ' VAL . 51.8 tp -138.49 119.59 14.51 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.72 -0.673 . . . . 0.2 110.547 -178.929 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 562' ' ' GLU . . . . . 0.438 ' HB3' ' HB2' ' A' ' 549' ' ' ASN . 43.5 tt0 -99.99 122.67 43.25 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.359 0.599 . . . . 2.09 110.324 176.271 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 563' ' ' MET . . . . . 0.545 ' HB2' ' NH2' ' A' ' 520' ' ' ARG . 18.9 mtt -110.74 147.59 34.11 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.184 -0.916 . . . . 0.39 108.827 -178.836 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 564' ' ' ALA . . . . . 0.436 ' HB2' ' HB3' ' A' ' 546' ' ' LYS . . . -58.66 -44.85 90.27 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 118.049 0.386 . . . . 0.5 111.626 -168.772 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 565' ' ' TYR . . . . . 0.437 ' HB2' ' HG2' ' A' ' 567' ' ' GLU . 85.5 m-85 -121.97 155.01 36.43 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.314 0.578 . . . . 1.15 111.12 -178.421 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 566' ' ' THR . . . . . 0.507 ' HA ' ' NH1' ' A' ' 520' ' ' ARG . 9.7 t -65.22 -27.37 68.62 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.175 -0.921 . . . . 0.57 110.574 -179.403 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 567' ' ' GLU . . . . . 0.437 ' HG2' ' HB2' ' A' ' 565' ' ' TYR . 10.3 pt-20 -57.32 -31.3 65.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.477 -0.783 . . . . 0.89 111.23 176.877 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 568' ' ' ALA . . . . . 0.651 ' O ' ' HG3' ' A' ' 572' ' ' MET . . . -72.55 -44.0 62.71 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.308 -0.405 . . . . 0.26 110.435 -177.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 569' ' ' ALA . . . . . 0.485 ' HA ' ' SD ' ' A' ' 563' ' ' MET . . . -63.14 -44.27 96.0 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.161 -0.472 . . . . 0.24 111.451 -176.407 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 570' ' ' GLN . . . . . . . . . . . . . 12.9 pt20 -64.94 -40.33 94.86 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.455 -0.338 . . . . 1.24 110.406 -178.547 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 571' ' ' ALA . . . . . . . . . . . . . . . -65.46 -43.4 90.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.113 -0.494 . . . . 0.31 111.116 -178.412 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 572' ' ' MET . . . . . 0.651 ' HG3' ' O ' ' A' ' 568' ' ' ALA . 26.9 mtt -66.32 -47.69 72.72 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.362 -0.381 . . . . 0.47 110.737 -179.37 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 573' ' ' VAL . . . . . 0.641 ' O ' ' HG2' ' A' ' 577' ' ' GLN . 86.7 t -58.43 -46.84 89.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 C-N-CA 121.03 -0.268 . . . . 0.34 110.413 -178.745 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 574' ' ' GLN . . . . . . . . . . . . . 98.4 mt-30 -61.42 -37.13 82.39 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.779 0.323 . . . . 2.09 110.947 178.667 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 575' ' ' TYR . . . . . . . . . . . . . 84.2 t80 -67.08 -51.78 50.15 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.292 -0.413 . . . . 0.48 110.036 179.882 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 576' ' ' TYR . . . . . 0.594 ' HA ' ' O ' ' A' ' 579' ' ' LYS . 65.6 m-85 -72.38 -13.52 61.49 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 112.709 0.633 . . . . 0.36 112.709 -178.08 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 577' ' ' GLN . . . . . 0.641 ' HG2' ' O ' ' A' ' 573' ' ' VAL . 26.5 mm-40 -67.74 -42.97 81.01 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.093 0.473 . . . . 1.89 109.826 170.468 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 578' ' ' GLU . . . . . . . . . . . . . 12.0 mm-40 -85.85 -38.45 18.1 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.843 -0.617 . . . . 2.14 111.3 178.125 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 579' ' ' LYS . . . . . 0.594 ' O ' ' HA ' ' A' ' 576' ' ' TYR . 24.7 mtpp -135.47 93.97 15.83 Favored Pre-proline 0 C--N 1.327 -0.412 0 CA-C-N 116.746 -0.206 . . . . 2.46 110.576 176.236 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 580' ' ' PRO . . . . . . . . . . . . . 43.4 Cg_endo -67.76 161.72 42.59 Favored 'Trans proline' 0 N--CA 1.461 -0.415 0 C-N-CA 122.23 1.953 . . . . 0.37 111.072 174.928 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 581' ' ' ALA . . . . . 0.458 ' O ' ' HG ' ' A' ' 588' ' ' LEU . . . -90.03 136.18 33.2 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 109.828 -0.434 . . . . 0.27 109.828 -175.859 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 582' ' ' ILE . . . . . . . . . . . . . 30.7 mt -101.26 118.57 48.2 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.77 0 CA-C-N 116.322 -0.399 . . . . 0.51 111.717 -172.784 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 583' ' ' ILE . . . . . 0.405 ' CG1' HD11 ' A' ' 588' ' ' LEU . 29.4 mm -126.75 114.46 37.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 N-CA-C 109.31 -0.626 . . . . 0.51 109.31 174.332 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 584' ' ' ASN . . . . . . . . . . . . . 79.0 m-20 59.66 32.45 21.5 Favored 'General case' 0 N--CA 1.467 0.413 0 CA-C-O 121.217 0.532 . . . . 1.1 110.065 -175.9 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 585' ' ' GLY . . . . . . . . . . . . . . . 76.98 7.77 86.68 Favored Glycine 0 N--CA 1.448 -0.545 0 CA-C-N 115.759 -0.655 . . . . 0.44 112.812 -179.539 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 586' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -105.45 127.41 52.98 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.882 0.372 . . . . 1.79 110.465 179.379 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 587' ' ' LYS . . . . . . . . . . . . . 44.2 mmtm -75.53 127.16 32.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.889 -0.596 . . . . 1.67 111.6 -178.249 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 588' ' ' LEU . . . . . 0.502 HD12 HD11 ' A' ' 540' ' ' LEU . 43.7 mt -89.17 138.19 31.65 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.029 -0.532 . . . . 0.24 110.586 178.691 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 589' ' ' LEU . . . . . . . . . . . . . 51.1 tp -113.9 114.8 26.73 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.281 -0.418 . . . . 0.38 111.076 -179.011 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 590' ' ' ILE . . . . . 0.489 HD12 ' CE2' ' A' ' 576' ' ' TYR . 22.8 mt -102.35 129.98 52.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 N-CA-C 110.198 -0.297 . . . . 0.26 110.198 176.014 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 591' ' ' ARG . . . . . . . . . . . . . 60.0 mtp180 -145.47 163.51 34.46 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.385 -0.371 . . . . 2.62 110.393 -178.077 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 592' ' ' MET . . . . . . . . . . . . . 61.1 mtt -82.72 143.94 30.56 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 109.429 -0.582 . . . . 0.34 109.429 174.196 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 593' ' ' SER . . . . . . . . . . . . . 43.1 t -85.69 130.97 34.43 Favored 'General case' 0 C--O 1.237 0.441 0 CA-C-O 121.541 0.686 . . . . 1.37 111.815 -175.428 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 594' ' ' THR . . . . . . . . . . . . . 19.2 p -89.68 -11.73 41.59 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 114.384 -1.28 . . . . 0.38 110.908 177.458 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 595' ' ' ARG . . . . . . . . . . . . . 62.4 mtp180 -101.02 -29.9 11.92 Favored 'General case' 0 C--N 1.331 -0.201 0 N-CA-C 112.911 0.708 . . . . 2.75 112.911 -171.025 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 596' ' ' TYR . . . . . . . . . . . . . 62.5 m-85 -127.7 152.3 47.9 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 112.69 0.626 . . . . 0.65 112.69 -174.908 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 597' ' ' LYS . . . . . . . . . . . . . 97.2 mttt -108.54 -19.99 13.25 Favored 'General case' 0 C--O 1.222 -0.39 0 CA-C-N 115.144 -0.934 . . . . 2.18 112.173 -179.356 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 598' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -142.05 151.36 42.33 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.295 0.569 . . . . 0.95 111.592 -175.324 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 599' ' ' LEU . . . . . 0.772 HD21 HG13 ' A' ' 521' ' ' VAL . 93.0 mt -117.1 120.84 39.57 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 114.992 -1.003 . . . . 0.45 110.41 177.692 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 600' ' ' GLN . . . . . . . . . . . . . 20.4 pt20 -113.61 137.97 50.84 Favored 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 109.906 -0.405 . . . . 1.52 109.906 179.002 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 601' ' ' LEU . . . . . . . . . . . . . 82.2 mt -87.13 91.86 8.86 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 121.27 0.557 . . . . 0.46 111.238 -177.491 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 602' ' ' LYS . . . . . . . . . . . . . 56.9 mtpt -77.67 -13.6 59.86 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.477 -0.783 . . . . 1.73 110.588 177.248 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 603' ' ' LYS . . . . . . . . . . . . . 34.5 mmtp . . . . . 0 C--N 1.324 -0.529 0 CA-C-N 115.743 -0.662 . . . . 1.69 109.621 177.83 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 607' ' ' ASN . . . . . . . . . . . . . 26.3 t-20 . . . . . 0 C--O 1.233 0.197 0 CA-C-O 120.952 0.406 . . . . 1.33 110.387 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 608' ' ' VAL . . . . . 0.602 HG11 ' HB ' ' A' ' 547' ' ' VAL . 43.7 t -76.74 -26.31 16.3 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 115.833 -0.621 . . . . 0.3 112.365 -171.687 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 609' ' ' ALA . . . . . . . . . . . . . . . -60.82 -36.48 79.19 Favored 'General case' 0 C--O 1.239 0.512 0 CA-C-O 121.631 0.729 . . . . 0.44 110.635 177.432 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 610' ' ' ALA . . . . . . . . . . . . . . . -65.51 -28.59 69.3 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.436 -0.802 . . . . 0.4 110.367 177.229 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 611' ' ' ILE . . . . . 0.429 ' CD1' HD12 ' A' ' 538' ' ' ILE . 72.3 mt -71.21 -29.83 37.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 115.849 -0.614 . . . . 0.25 109.716 178.273 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 612' ' ' ILE . . . . . 0.449 ' CG1' HD13 ' A' ' 542' ' ' LEU . 61.8 mt -60.72 -44.65 97.69 Favored 'Isoleucine or valine' 0 C--O 1.234 0.279 0 N-CA-C 109.529 -0.545 . . . . 0.31 109.529 173.819 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 613' ' ' GLN . . . . . 0.432 ' HA ' ' OE1' ' A' ' 613' ' ' GLN . 14.3 mm-40 -66.04 -29.72 70.13 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.517 -0.765 . . . . 2.31 110.407 178.241 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 614' ' ' ASP . . . . . 0.4 ' HB3' ' O ' ' A' ' 611' ' ' ILE . 21.1 t70 -65.94 -45.32 82.27 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.156 -0.929 . . . . 1.95 110.502 176.756 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 615' ' ' ILE . . . . . 0.638 HD11 ' HA ' ' A' ' 539' ' ' ASN . 85.3 mt -65.29 -41.76 92.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 120.976 0.417 . . . . 0.35 110.863 179.172 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 616' ' ' HIS . . . . . . . . . . . . . 26.4 m-70 -67.38 -26.83 66.65 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.9 -0.591 . . . . 1.26 110.917 178.752 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 617' ' ' SER . . . . . . . . . . . . . 12.7 t . . . . . 0 N--CA 1.454 -0.259 0 N-CA-C 109.167 -0.679 . . . . 1.18 109.167 172.227 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 520' ' ' ARG . . . . . . . . . . . . . 36.6 mtp85 . . . . . 0 N--CA 1.448 -0.531 0 N-CA-C 109.705 -0.48 . . . . 2.22 109.705 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 521' ' ' VAL . . . . . 0.64 HG13 HD21 ' A' ' 599' ' ' LEU . 94.2 t -117.84 121.19 66.81 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.736 0 CA-C-N 116.104 -0.498 . . . . 0.32 111.26 175.043 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 522' ' ' VAL . . . . . 0.406 HG11 ' CE ' ' A' ' 563' ' ' MET . 24.2 t -121.11 122.81 68.54 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.782 0 N-CA-C 107.73 -1.211 . . . . 0.22 107.73 172.703 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 523' ' ' HIS . . . . . 0.548 ' HB2' ' OG ' ' A' ' 593' ' ' SER . 50.7 t-80 -104.99 133.72 49.3 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.174 0.512 . . . . 0.44 110.854 -172.569 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 524' ' ' ILE . . . . . 0.513 HD11 HD22 ' A' ' 561' ' ' LEU . 29.2 mt -114.02 129.89 69.16 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.886 0 N-CA-C 108.412 -0.959 . . . . 0.19 108.412 177.265 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 525' ' ' CYS . . . . . 0.512 ' SG ' ' HB3' ' A' ' 589' ' ' LEU . 2.1 p -134.76 165.84 24.34 Favored 'General case' 0 C--N 1.315 -0.927 0 C-N-CA 120.513 -0.475 . . . . 1.17 111.57 -174.521 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 526' ' ' ASN . . . . . 0.466 ' HB2' ' O ' ' A' ' 525' ' ' CYS . 87.7 m-20 86.68 28.69 0.04 OUTLIER 'General case' 0 N--CA 1.468 0.443 0 O-C-N 124.998 1.436 . . . . 0.26 110.032 178.027 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 527' ' ' LEU . . . . . 0.573 ' HB3' ' SG ' ' A' ' 532' ' ' CYS . 82.1 mt -92.96 123.34 61.52 Favored Pre-proline 0 C--N 1.323 -0.544 0 CA-C-N 115.26 -0.882 . . . . 0.25 108.692 177.823 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 528' ' ' PRO . . . . . 0.431 ' HD3' ' HA ' ' A' ' 527' ' ' LEU . 4.3 Cg_exo -74.36 134.21 18.68 Favored 'Trans proline' 0 N--CA 1.461 -0.399 0 C-N-CA 121.54 1.494 . . . . 0.38 111.917 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 529' ' ' GLU . . . . . . . . . . . . . 28.0 tt0 -65.28 130.78 44.58 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 109.85 -0.426 . . . . 1.6 109.85 177.233 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 530' ' ' GLY . . . . . . . . . . . . . . . 94.55 3.24 62.91 Favored Glycine 0 N--CA 1.445 -0.757 0 N-CA-C 110.505 -1.038 . . . . 0.48 110.505 -172.434 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 531' ' ' SER . . . . . . . . . . . . . 50.7 m -145.97 7.61 1.07 Allowed 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.066 0.46 . . . . 1.08 110.385 -178.89 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 532' ' ' CYS . . . . . 0.573 ' SG ' ' HB3' ' A' ' 527' ' ' LEU . 57.5 m -94.18 90.7 6.45 Favored 'General case' 0 CA--C 1.515 -0.399 0 N-CA-C 108.953 -0.758 . . . . 0.25 108.953 179.744 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 533' ' ' THR . . . . . 0.473 ' O ' HG23 ' A' ' 537' ' ' VAL . 25.4 p -102.0 151.25 22.35 Favored 'General case' 0 N--CA 1.442 -0.833 0 C-N-CA 119.515 -0.874 . . . . 0.35 108.701 -178.798 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 534' ' ' GLU . . . . . 0.824 ' HA ' HD11 ' A' ' 552' ' ' LEU . 22.9 mp0 -64.95 -33.64 76.52 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 109.004 -0.739 . . . . 1.64 109.004 178.941 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 535' ' ' ASN . . . . . 0.487 HD21 ' CG ' ' A' ' 614' ' ' ASP . 26.1 t-20 -61.05 -49.05 78.93 Favored 'General case' 0 N--CA 1.443 -0.794 0 CA-C-N 114.506 -1.224 . . . . 1.82 111.535 -178.879 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 536' ' ' ASP . . . . . . . . . . . . . 57.4 m-20 -69.63 -46.22 66.71 Favored 'General case' 0 N--CA 1.473 0.714 0 CA-C-O 121.523 0.678 . . . . 0.61 111.154 -173.916 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 537' ' ' VAL . . . . . 0.473 HG23 ' O ' ' A' ' 533' ' ' THR . 28.0 t -61.32 -47.53 93.05 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 CA-C-N 114.719 -1.128 . . . . 0.15 110.115 -177.356 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 538' ' ' ILE . . . . . 0.581 HD11 ' CD1' ' A' ' 550' ' ' TYR . 62.6 mt -68.41 -33.31 59.53 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-N 115.695 -0.684 . . . . 0.23 111.28 176.525 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 539' ' ' ASN . . . . . 0.424 ' HA ' HD11 ' A' ' 615' ' ' ILE . 9.7 m120 -58.25 -26.41 62.89 Favored 'General case' 0 N--CA 1.468 0.446 0 C-N-CA 120.797 -0.361 . . . . 0.25 110.364 175.874 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 540' ' ' LEU . . . . . 0.457 HD11 HD12 ' A' ' 588' ' ' LEU . 87.4 mt -75.51 -41.38 55.34 Favored 'General case' 0 C--N 1.323 -0.556 0 C-N-CA 120.475 -0.49 . . . . 0.27 110.241 174.218 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 541' ' ' GLY . . . . . 0.558 ' HA2' ' SD ' ' A' ' 572' ' ' MET . . . -67.43 -51.69 35.64 Favored Glycine 0 CA--C 1.527 0.824 0 N-CA-C 116.278 1.271 . . . . 0.19 116.278 -178.939 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 542' ' ' LEU . . . . . 0.516 HD13 ' CG1' ' A' ' 612' ' ' ILE . 49.7 mt -61.95 -39.63 60.82 Favored Pre-proline 0 C--N 1.319 -0.749 0 N-CA-C 115.628 1.714 . . . . 0.2 115.628 -168.15 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 543' ' ' PRO . . . . . 0.5 ' HG3' HG21 ' A' ' 615' ' ' ILE . 52.5 Cg_exo -60.5 -25.39 80.49 Favored 'Trans proline' 0 C--N 1.345 0.359 0 C-N-CA 121.476 1.451 . . . . 0.23 112.995 -179.197 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 544' ' ' PHE . . . . . . . . . . . . . 92.5 m-85 -103.44 -4.06 24.58 Favored 'General case' 0 C--O 1.233 0.199 0 N-CA-C 111.877 0.325 . . . . 0.33 111.877 -179.178 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 545' ' ' GLY . . . . . 0.435 ' O ' ' HA ' ' A' ' 542' ' ' LEU . . . 172.72 -171.14 44.17 Favored Glycine 0 N--CA 1.448 -0.506 0 C-N-CA 119.726 -1.226 . . . . 0.44 113.192 -179.524 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 546' ' ' LYS . . . . . . . . . . . . . 63.3 tttp -95.26 121.96 37.45 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 110.211 -0.292 . . . . 2.07 110.211 -177.706 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 547' ' ' VAL . . . . . 0.575 ' HB ' HG11 ' A' ' 608' ' ' VAL . 77.2 t -87.83 113.85 25.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-N 116.411 -0.359 . . . . 0.2 110.209 174.057 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 548' ' ' THR . . . . . . . . . . . . . 20.8 p -96.9 -35.09 11.01 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.066 -0.516 . . . . 0.31 111.643 177.171 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 549' ' ' ASN . . . . . 0.529 ' OD1' HD11 ' A' ' 601' ' ' LEU . 89.8 m-20 -142.03 160.68 39.72 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.43 0.633 . . . . 1.26 110.623 178.523 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 550' ' ' TYR . . . . . 0.581 ' CD1' HD11 ' A' ' 538' ' ' ILE . 1.6 p90 -160.86 150.75 17.46 Favored 'General case' 0 C--N 1.315 -0.904 0 CA-C-N 114.988 -1.005 . . . . 0.31 109.016 -179.582 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 551' ' ' ILE . . . . . 0.473 ' HB ' ' HB2' ' A' ' 560' ' ' PHE . 77.5 mt -140.01 121.43 15.24 Favored 'Isoleucine or valine' 0 CA--C 1.506 -0.725 0 N-CA-C 108.144 -1.058 . . . . 0.22 108.144 178.664 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 552' ' ' LEU . . . . . 0.824 HD11 ' HA ' ' A' ' 534' ' ' GLU . 18.6 mt -111.76 111.7 22.86 Favored 'General case' 0 C--N 1.311 -1.079 0 C-N-CA 119.497 -0.881 . . . . 0.43 109.544 178.796 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 553' ' ' MET . . . . . . . . . . . . . 2.9 mpp? -100.67 84.42 2.73 Favored 'General case' 0 C--N 1.317 -0.838 0 N-CA-C 108.028 -1.101 . . . . 1.03 108.028 -176.531 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 554' ' ' LYS . . . . . 0.554 ' HD2' ' HB2' ' A' ' 532' ' ' CYS . 19.6 mmtp -52.43 -29.57 25.11 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 114.343 -1.299 . . . . 1.03 111.995 -179.596 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 555' ' ' SER . . . . . . . . . . . . . 63.5 p -69.85 -39.14 76.58 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 120.932 0.396 . . . . 0.51 111.207 -175.64 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 556' ' ' THR . . . . . . . . . . . . . 62.9 p -97.21 3.04 51.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.289 -0.414 . . . . 0.45 111.904 -177.306 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 557' ' ' ASN . . . . . 0.548 ' N ' HD22 ' A' ' 557' ' ' ASN . 0.9 OUTLIER 56.4 38.18 29.48 Favored 'General case' 0 N--CA 1.469 0.508 0 CA-C-O 121.505 0.669 . . . . 1.28 110.727 -178.63 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 558' ' ' GLN . . . . . . . . . . . . . 48.8 mt-30 -144.57 166.79 24.17 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.308 -0.86 . . . . 0.84 109.719 -176.672 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 559' ' ' ALA . . . . . . . . . . . . . . . -156.38 164.36 38.38 Favored 'General case' 0 N--CA 1.449 -0.503 0 CA-C-O 121.487 0.66 . . . . 0.16 112.475 -176.155 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 560' ' ' PHE . . . . . 0.473 ' HB2' ' HB ' ' A' ' 551' ' ' ILE . 91.4 m-85 -120.85 151.43 39.65 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.146 -0.933 . . . . 0.35 110.899 176.351 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 561' ' ' LEU . . . . . 0.513 HD22 HD11 ' A' ' 524' ' ' ILE . 47.8 tp -137.39 120.77 17.0 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.788 -0.642 . . . . 0.2 110.029 -179.512 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 562' ' ' GLU . . . . . 0.474 ' HB2' HD12 ' A' ' 599' ' ' LEU . 31.5 tt0 -98.41 132.4 43.9 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.349 0.595 . . . . 2.09 110.425 179.059 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 563' ' ' MET . . . . . 0.533 ' SD ' ' HA ' ' A' ' 569' ' ' ALA . 40.9 mtt -122.28 135.13 54.69 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.119 -0.946 . . . . 0.39 109.769 -174.377 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 564' ' ' ALA . . . . . . . . . . . . . . . -74.44 -16.51 60.86 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 112.694 0.627 . . . . 0.5 112.694 -170.176 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 565' ' ' TYR . . . . . 0.409 ' CB ' ' HG2' ' A' ' 567' ' ' GLU . 98.5 m-85 -138.16 148.09 44.54 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 120.799 0.333 . . . . 1.15 110.303 -176.436 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 566' ' ' THR . . . . . . . . . . . . . 14.0 t -63.89 -27.38 69.12 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.818 -0.628 . . . . 0.57 110.787 -179.341 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 567' ' ' GLU . . . . . 0.409 ' HG2' ' CB ' ' A' ' 565' ' ' TYR . 9.5 pt-20 -56.55 -34.12 66.76 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.592 -0.731 . . . . 0.89 110.926 176.735 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 568' ' ' ALA . . . . . 0.633 ' O ' ' HG3' ' A' ' 572' ' ' MET . . . -74.23 -45.83 45.57 Favored 'General case' 0 N--CA 1.45 -0.444 0 CA-C-N 115.963 -0.562 . . . . 0.26 111.49 -172.672 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 569' ' ' ALA . . . . . 0.533 ' HA ' ' SD ' ' A' ' 563' ' ' MET . . . -65.28 -44.86 86.67 Favored 'General case' 0 N--CA 1.453 -0.282 0 CA-C-N 116.574 -0.284 . . . . 0.24 111.216 -176.256 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 570' ' ' GLN . . . . . . . . . . . . . 13.4 pt20 -68.14 -36.29 79.45 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.558 -0.292 . . . . 1.24 111.123 -179.448 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 571' ' ' ALA . . . . . . . . . . . . . . . -65.56 -46.16 80.56 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-O 120.763 0.316 . . . . 0.31 111.135 -179.338 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 572' ' ' MET . . . . . 0.633 ' HG3' ' O ' ' A' ' 568' ' ' ALA . 23.5 mtt -68.9 -47.65 65.3 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.241 -0.436 . . . . 0.47 111.222 -177.028 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 573' ' ' VAL . . . . . 0.414 HG23 ' O ' ' A' ' 569' ' ' ALA . 81.3 t -58.49 -47.55 87.93 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.369 0 C-N-CA 120.83 -0.348 . . . . 0.34 110.556 -177.426 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 574' ' ' GLN . . . . . . . . . . . . . 49.6 mt-30 -61.32 -38.04 85.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.823 0.344 . . . . 2.09 110.855 179.865 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 575' ' ' TYR . . . . . . . . . . . . . 91.8 t80 -68.93 -53.29 21.76 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.082 -0.508 . . . . 0.48 110.879 -179.085 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 576' ' ' TYR . . . . . 0.469 ' CD2' HD12 ' A' ' 590' ' ' ILE . 84.8 m-85 -75.94 -14.39 60.25 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 112.901 0.704 . . . . 0.36 112.901 -174.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 577' ' ' GLN . . . . . . . . . . . . . 11.5 mm100 -68.78 -43.71 75.16 Favored 'General case' 0 C--N 1.328 -0.339 0 C-N-CA 120.509 -0.477 . . . . 1.89 109.962 172.397 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 578' ' ' GLU . . . . . . . . . . . . . 41.1 mm-40 -88.59 -37.57 15.56 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.037 -0.529 . . . . 2.14 111.747 179.557 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 579' ' ' LYS . . . . . . . . . . . . . 63.4 mttm -131.35 82.29 62.79 Favored Pre-proline 0 C--N 1.324 -0.542 0 N-CA-C 109.338 -0.615 . . . . 2.46 109.338 -177.846 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 580' ' ' PRO . . . . . . . . . . . . . 9.2 Cg_exo -67.86 161.34 44.43 Favored 'Trans proline' 0 N--CA 1.459 -0.553 0 C-N-CA 122.699 2.266 . . . . 0.37 111.831 -177.126 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 581' ' ' ALA . . . . . 0.401 ' O ' ' HG ' ' A' ' 588' ' ' LEU . . . -90.71 136.85 32.8 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.363 -0.38 . . . . 0.27 110.127 -176.614 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 582' ' ' ILE . . . . . . . . . . . . . 63.7 mt -100.28 121.21 50.74 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.741 0 CA-C-N 116.212 -0.449 . . . . 0.51 111.402 -175.574 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 583' ' ' ILE . . . . . 0.477 HG13 HD11 ' A' ' 588' ' ' LEU . 5.5 mt -126.79 112.01 27.79 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 CA-C-N 115.924 -0.58 . . . . 0.51 109.726 170.31 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 584' ' ' ASN . . . . . . . . . . . . . 96.4 m-20 57.82 34.46 24.41 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-O 121.421 0.629 . . . . 1.1 110.66 -178.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 585' ' ' GLY . . . . . . . . . . . . . . . 84.98 4.29 87.13 Favored Glycine 0 N--CA 1.447 -0.632 0 CA-C-N 115.353 -0.839 . . . . 0.44 113.575 177.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 586' ' ' GLU . . . . . . . . . . . . . 75.1 mm-40 -100.91 126.71 47.56 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 117.163 0.481 . . . . 1.79 111.239 179.717 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 587' ' ' LYS . . . . . . . . . . . . . 72.6 mmtt -73.46 112.49 9.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.443 -0.799 . . . . 1.67 110.365 174.62 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 588' ' ' LEU . . . . . 0.477 HD11 HG13 ' A' ' 583' ' ' ILE . 48.1 mt -78.85 136.18 37.25 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 120.762 0.315 . . . . 0.24 110.383 178.607 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 589' ' ' LEU . . . . . 0.512 ' HB3' ' SG ' ' A' ' 525' ' ' CYS . 40.9 tp -112.74 112.93 24.78 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.971 -0.559 . . . . 0.38 110.691 -177.284 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 590' ' ' ILE . . . . . 0.469 HD12 ' CD2' ' A' ' 576' ' ' TYR . 18.6 mt -103.7 118.48 50.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 N-CA-C 110.127 -0.323 . . . . 0.26 110.127 176.309 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 591' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -146.78 164.94 31.17 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.253 -0.43 . . . . 2.62 109.85 -178.374 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 592' ' ' MET . . . . . . . . . . . . . 62.0 mtt -83.58 142.81 30.57 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 110.107 -0.331 . . . . 0.34 110.107 -178.499 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 593' ' ' SER . . . . . 0.548 ' OG ' ' HB2' ' A' ' 523' ' ' HIS . 55.6 m -86.67 141.27 29.06 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.278 0.561 . . . . 1.37 112.098 -175.909 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 594' ' ' THR . . . . . . . . . . . . . 19.5 p -91.62 -17.04 26.15 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.064 -0.971 . . . . 0.38 112.335 -178.583 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 595' ' ' ARG . . . . . . . . . . . . . 73.4 mtp180 -101.63 -31.55 10.77 Favored 'General case' 0 C--N 1.329 -0.285 0 C-N-CA 120.389 -0.524 . . . . 2.75 112.074 -171.088 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 596' ' ' TYR . . . . . . . . . . . . . 69.0 m-85 -115.19 139.17 50.16 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 121.107 0.48 . . . . 0.65 111.583 -176.111 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 597' ' ' LYS . . . . . 0.529 ' N ' ' HD2' ' A' ' 597' ' ' LYS . 10.1 mptt -109.05 -7.82 15.28 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.163 -0.926 . . . . 2.18 110.434 177.504 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 598' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -143.09 151.78 41.12 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.978 0.418 . . . . 0.95 110.843 -175.703 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 599' ' ' LEU . . . . . 0.64 HD21 HG13 ' A' ' 521' ' ' VAL . 85.9 mt -115.88 119.63 36.59 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.542 -0.754 . . . . 0.45 110.455 -179.537 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 600' ' ' GLN . . . . . . . . . . . . . 30.1 tt0 -104.27 126.38 51.33 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.834 -0.621 . . . . 1.52 110.967 -179.681 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 601' ' ' LEU . . . . . 0.529 HD11 ' OD1' ' A' ' 549' ' ' ASN . 54.9 mt -84.02 90.57 7.46 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.149 -0.478 . . . . 0.46 111.251 -179.674 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 602' ' ' LYS . . . . . . . . . . . . . 54.7 mtpt -75.61 -20.7 58.36 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.194 0.521 . . . . 1.73 110.232 173.204 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 603' ' ' LYS . . . . . . . . . . . . . 33.9 mmtp . . . . . 0 C--N 1.323 -0.583 0 CA-C-N 115.725 -0.67 . . . . 1.69 109.375 177.1 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 607' ' ' ASN . . . . . . . . . . . . . 51.7 t-20 . . . . . 0 C--O 1.232 0.169 0 CA-C-O 121.329 0.585 . . . . 1.33 111.209 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 608' ' ' VAL . . . . . 0.575 HG11 ' HB ' ' A' ' 547' ' ' VAL . 71.5 t -95.71 -27.13 4.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-N 115.158 -0.928 . . . . 0.3 110.695 -178.369 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 609' ' ' ALA . . . . . . . . . . . . . . . -61.93 -34.92 76.96 Favored 'General case' 0 C--O 1.239 0.508 0 CA-C-O 121.516 0.674 . . . . 0.44 110.387 176.314 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 610' ' ' ALA . . . . . . . . . . . . . . . -65.1 -27.07 68.51 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.506 -0.77 . . . . 0.4 110.274 175.885 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 611' ' ' ILE . . . . . 0.442 ' HB ' ' O ' ' A' ' 608' ' ' VAL . 74.9 mt -71.33 -31.4 43.45 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 115.726 -0.67 . . . . 0.25 109.646 177.331 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 612' ' ' ILE . . . . . 0.516 ' CG1' HD13 ' A' ' 542' ' ' LEU . 58.3 mt -61.15 -41.45 89.46 Favored 'Isoleucine or valine' 0 C--O 1.234 0.284 0 CA-C-O 120.913 0.387 . . . . 0.31 110.008 173.613 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 613' ' ' GLN . . . . . . . . . . . . . 71.1 mt-30 -61.9 -37.63 85.32 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 115.72 -0.673 . . . . 2.31 109.505 176.58 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 614' ' ' ASP . . . . . 0.487 ' CG ' HD21 ' A' ' 535' ' ' ASN . 15.8 t70 -64.89 -45.37 86.22 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 114.58 -1.191 . . . . 1.95 111.243 -177.771 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 615' ' ' ILE . . . . . 0.504 ' CD1' ' HB2' ' A' ' 542' ' ' LEU . 87.4 mt -59.16 -48.62 86.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.125 -0.489 . . . . 0.35 110.87 179.16 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 616' ' ' HIS . . . . . . . . . . . . . 50.6 m-70 -70.53 -27.69 64.35 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.807 -0.633 . . . . 1.26 111.205 -179.779 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 617' ' ' SER . . . . . . . . . . . . . 15.9 t . . . . . 0 C--N 1.325 -0.46 0 CA-C-N 116.265 -0.425 . . . . 1.18 110.544 178.261 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 520' ' ' ARG . . . . . . . . . . . . . 16.9 mtm-85 . . . . . 0 N--CA 1.451 -0.38 0 CA-C-O 121.077 0.465 . . . . 2.22 110.929 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 521' ' ' VAL . . . . . 0.757 HG13 HD21 ' A' ' 599' ' ' LEU . 85.9 t -117.74 121.14 66.72 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.828 0 CA-C-N 115.708 -0.678 . . . . 0.32 109.894 165.155 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 522' ' ' VAL . . . . . 0.547 ' HB ' ' O ' ' A' ' 561' ' ' LEU . 27.0 t -120.12 121.97 67.2 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.87 0 N-CA-C 107.725 -1.213 . . . . 0.22 107.725 177.225 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 523' ' ' HIS . . . . . 0.423 ' HE2' ' HB3' ' A' ' 558' ' ' GLN . 37.1 t-80 -105.28 132.23 51.74 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-O 121.268 0.556 . . . . 0.44 111.008 -171.047 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 524' ' ' ILE . . . . . 0.473 HD11 HD22 ' A' ' 561' ' ' LEU . 28.0 mt -113.67 141.3 30.1 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.844 0 N-CA-C 108.594 -0.891 . . . . 0.19 108.594 177.523 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 525' ' ' CYS . . . . . 0.472 ' O ' ' HB2' ' A' ' 526' ' ' ASN . 1.2 p -143.77 166.21 25.52 Favored 'General case' 0 C--N 1.311 -1.075 0 C-N-CA 120.555 -0.458 . . . . 1.17 111.86 -175.586 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 526' ' ' ASN . . . . . 0.472 ' HB2' ' O ' ' A' ' 525' ' ' CYS . 93.9 m-20 85.77 26.47 0.06 Allowed 'General case' 0 N--CA 1.469 0.519 0 O-C-N 124.934 1.396 . . . . 0.26 110.409 178.158 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 527' ' ' LEU . . . . . 0.475 ' HB3' ' SG ' ' A' ' 532' ' ' CYS . 83.6 mt -85.4 124.79 71.2 Favored Pre-proline 0 C--N 1.322 -0.606 0 N-CA-C 108.794 -0.817 . . . . 0.25 108.794 178.9 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 528' ' ' PRO . . . . . 0.418 ' HD3' ' HA ' ' A' ' 527' ' ' LEU . 8.4 Cg_exo -70.5 134.76 27.13 Favored 'Trans proline' 0 N--CA 1.458 -0.606 0 C-N-CA 121.438 1.426 . . . . 0.38 111.861 -178.438 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 529' ' ' GLU . . . . . . . . . . . . . 28.7 tt0 -64.6 130.77 44.89 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.666 -0.697 . . . . 1.6 109.86 178.092 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 530' ' ' GLY . . . . . . . . . . . . . . . 89.95 4.07 72.65 Favored Glycine 0 N--CA 1.447 -0.591 0 C-N-CA 119.999 -1.096 . . . . 0.48 111.22 -173.319 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 531' ' ' SER . . . . . . . . . . . . . 16.6 m -143.9 5.9 1.36 Allowed 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.133 0.492 . . . . 1.08 110.015 -176.324 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 532' ' ' CYS . . . . . 0.475 ' SG ' ' HB3' ' A' ' 527' ' ' LEU . 56.0 m -91.76 88.9 6.86 Favored 'General case' 0 CA--C 1.513 -0.452 0 N-CA-C 109.023 -0.732 . . . . 0.25 109.023 -179.729 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 533' ' ' THR . . . . . 0.496 ' O ' HG23 ' A' ' 537' ' ' VAL . 32.2 p -99.67 152.24 20.3 Favored 'General case' 0 C--N 1.317 -0.839 0 C-N-CA 119.672 -0.811 . . . . 0.35 108.932 -179.458 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 534' ' ' GLU . . . . . 0.504 ' N ' HD11 ' A' ' 552' ' ' LEU . 41.4 mt-10 -65.83 -35.01 79.47 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 108.959 -0.756 . . . . 1.64 108.959 178.074 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 535' ' ' ASN . . . . . . . . . . . . . 6.0 m-20 -63.96 -46.69 83.52 Favored 'General case' 0 C--O 1.213 -0.852 0 CA-C-N 114.76 -1.109 . . . . 1.82 111.582 -178.768 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 536' ' ' ASP . . . . . . . . . . . . . 16.9 m-20 -69.05 -44.92 71.66 Favored 'General case' 0 N--CA 1.472 0.668 0 CA-C-N 118.505 0.593 . . . . 0.61 111.479 -173.645 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 537' ' ' VAL . . . . . 0.496 HG23 ' O ' ' A' ' 533' ' ' THR . 38.5 t -60.07 -47.65 91.06 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.729 0 CA-C-N 115.048 -0.978 . . . . 0.15 109.844 -179.271 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 538' ' ' ILE . . . . . 0.666 HD11 ' CG ' ' A' ' 550' ' ' TYR . 75.5 mt -68.04 -33.78 63.02 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.82 0 CA-C-N 115.015 -0.993 . . . . 0.23 111.331 176.555 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 539' ' ' ASN . . . . . 0.495 ' HA ' HD11 ' A' ' 615' ' ' ILE . 9.6 m120 -59.01 -26.37 64.49 Favored 'General case' 0 CA--C 1.513 -0.465 0 O-C-N 122.342 -0.224 . . . . 0.25 110.555 176.542 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 540' ' ' LEU . . . . . 0.484 HD11 HD12 ' A' ' 588' ' ' LEU . 85.2 mt -75.0 -41.03 60.29 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 109.865 -0.42 . . . . 0.27 109.865 173.526 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 541' ' ' GLY . . . . . 0.508 ' HA3' HD21 ' A' ' 561' ' ' LEU . . . -67.42 -52.73 29.04 Favored Glycine 0 CA--C 1.524 0.653 0 N-CA-C 115.453 0.941 . . . . 0.19 115.453 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 542' ' ' LEU . . . . . 0.566 ' HA ' ' O ' ' A' ' 545' ' ' GLY . 45.4 mt -56.19 -45.19 99.94 Favored Pre-proline 0 C--N 1.321 -0.669 0 N-CA-C 115.208 1.559 . . . . 0.2 115.208 -167.61 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 543' ' ' PRO . . . . . 0.402 ' HG3' HD13 ' A' ' 615' ' ' ILE . 50.1 Cg_exo -59.9 -26.64 82.91 Favored 'Trans proline' 0 C--N 1.346 0.445 0 C-N-CA 122.036 1.824 . . . . 0.23 113.169 -178.651 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 544' ' ' PHE . . . . . 0.436 ' HB2' ' HE2' ' A' ' 572' ' ' MET . 99.7 m-85 -99.89 -16.81 17.88 Favored 'General case' 0 C--N 1.332 -0.166 0 C-N-CA 120.947 -0.301 . . . . 0.33 111.54 177.753 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 545' ' ' GLY . . . . . 0.566 ' O ' ' HA ' ' A' ' 542' ' ' LEU . . . -178.69 151.87 10.82 Favored Glycine 0 C--O 1.226 -0.394 0 C-N-CA 120.595 -0.812 . . . . 0.44 112.261 179.196 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 546' ' ' LYS . . . . . . . . . . . . . 40.4 ttmt -66.27 128.0 34.41 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.97 0.414 . . . . 2.07 110.688 -178.626 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 547' ' ' VAL . . . . . 0.579 ' HB ' HG11 ' A' ' 608' ' ' VAL . 70.8 t -90.24 116.55 31.79 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-N 115.862 -0.608 . . . . 0.2 110.918 -179.218 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 548' ' ' THR . . . . . . . . . . . . . 26.0 p -95.04 -34.81 12.18 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.049 -0.523 . . . . 0.31 111.876 -178.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 549' ' ' ASN . . . . . 0.47 ' HB2' ' HB2' ' A' ' 562' ' ' GLU . 16.0 m120 -143.35 156.4 44.68 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.214 -0.448 . . . . 1.26 110.366 -177.845 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 550' ' ' TYR . . . . . 0.666 ' CG ' HD11 ' A' ' 538' ' ' ILE . 3.7 p90 -160.55 152.1 19.55 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.117 -0.492 . . . . 0.31 109.909 -177.61 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 551' ' ' ILE . . . . . 0.511 ' HB ' ' HB2' ' A' ' 560' ' ' PHE . 67.0 mt -144.92 127.13 9.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 N-CA-C 108.592 -0.892 . . . . 0.22 108.592 -177.314 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 552' ' ' LEU . . . . . 0.504 HD11 ' N ' ' A' ' 534' ' ' GLU . 21.9 mt -107.23 123.25 48.02 Favored 'General case' 0 C--N 1.318 -0.796 0 C-N-CA 120.159 -0.616 . . . . 0.43 111.197 -178.856 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 553' ' ' MET . . . . . . . . . . . . . 9.9 mtp -110.07 79.24 1.19 Allowed 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 108.876 -0.787 . . . . 1.03 108.876 178.745 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 554' ' ' LYS . . . . . 0.469 ' HD2' ' HB2' ' A' ' 532' ' ' CYS . 22.6 mmtp -54.63 -28.76 49.15 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.24 -0.891 . . . . 1.03 112.747 175.112 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 555' ' ' SER . . . . . . . . . . . . . 63.3 p -69.13 -43.55 74.15 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 120.903 0.382 . . . . 0.51 111.169 -173.184 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 556' ' ' THR . . . . . . . . . . . . . 51.1 p -100.76 4.14 42.75 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 112.227 0.454 . . . . 0.45 112.227 -176.149 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 557' ' ' ASN . . . . . . . . . . . . . 81.4 m-20 59.68 43.19 15.9 Favored 'General case' 0 N--CA 1.468 0.456 0 CA-C-O 121.709 0.766 . . . . 1.28 110.141 -175.425 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 558' ' ' GLN . . . . . 0.423 ' HB3' ' HE2' ' A' ' 523' ' ' HIS . 79.4 mt-30 -137.03 167.74 20.93 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 114.99 -1.005 . . . . 0.84 109.71 -177.038 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 559' ' ' ALA . . . . . . . . . . . . . . . -159.13 165.06 34.63 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.054 0.454 . . . . 0.16 111.379 176.729 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 560' ' ' PHE . . . . . 0.511 ' HB2' ' HB ' ' A' ' 551' ' ' ILE . 86.3 m-85 -119.59 146.72 45.26 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.226 -0.443 . . . . 0.35 110.89 176.067 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 561' ' ' LEU . . . . . 0.547 ' O ' ' HB ' ' A' ' 522' ' ' VAL . 51.3 tp -136.88 119.31 15.81 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.744 -0.662 . . . . 0.2 110.45 -178.091 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 562' ' ' GLU . . . . . 0.47 ' HB2' ' HB2' ' A' ' 549' ' ' ASN . 0.0 OUTLIER -102.96 136.7 42.3 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.249 0.547 . . . . 2.09 110.212 176.925 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 563' ' ' MET . . . . . 0.565 ' SD ' ' HA ' ' A' ' 569' ' ' ALA . 32.2 mtt -120.54 163.61 17.72 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 115.322 -0.854 . . . . 0.39 109.583 -171.876 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 564' ' ' ALA . . . . . . . . . . . . . . . -62.29 -43.02 99.79 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 118.308 0.504 . . . . 0.5 111.708 -174.355 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 565' ' ' TYR . . . . . . . . . . . . . 64.1 m-85 -136.08 158.87 43.37 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.193 -0.458 . . . . 1.15 110.583 -177.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 566' ' ' THR . . . . . . . . . . . . . 15.4 t -66.29 -26.9 67.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.976 -0.556 . . . . 0.57 110.816 -179.665 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 567' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -56.67 -31.77 64.75 Favored 'General case' 0 C--O 1.231 0.131 0 CA-C-N 116.101 -0.499 . . . . 0.89 110.739 176.158 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 568' ' ' ALA . . . . . 0.656 ' O ' ' HG3' ' A' ' 572' ' ' MET . . . -73.75 -41.91 61.85 Favored 'General case' 0 N--CA 1.449 -0.486 0 CA-C-N 116.124 -0.489 . . . . 0.26 110.075 -179.662 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 569' ' ' ALA . . . . . 0.565 ' HA ' ' SD ' ' A' ' 563' ' ' MET . . . -64.55 -45.34 87.54 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.033 -0.531 . . . . 0.24 111.263 -175.844 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 570' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -66.14 -35.93 81.79 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.17 -0.468 . . . . 1.24 110.202 -179.258 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 571' ' ' ALA . . . . . . . . . . . . . . . -67.46 -43.95 79.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.782 -0.644 . . . . 0.31 110.979 -179.635 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 572' ' ' MET . . . . . 0.656 ' HG3' ' O ' ' A' ' 568' ' ' ALA . 29.1 mtt -67.72 -42.95 81.11 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.469 -0.332 . . . . 0.47 110.82 -178.41 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 573' ' ' VAL . . . . . 0.579 ' O ' ' HG3' ' A' ' 577' ' ' GLN . 79.0 t -58.39 -47.06 88.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 N-CA-C 110.058 -0.349 . . . . 0.34 110.058 179.662 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 574' ' ' GLN . . . . . . . . . . . . . 86.5 mm-40 -61.55 -37.74 84.89 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.418 -0.356 . . . . 2.09 111.217 179.07 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 575' ' ' TYR . . . . . . . . . . . . . 83.5 t80 -68.98 -53.42 20.77 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.262 -0.426 . . . . 0.48 110.96 -178.275 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 576' ' ' TYR . . . . . 0.534 ' HD2' ' O ' ' A' ' 572' ' ' MET . 97.3 m-85 -73.53 -13.41 61.03 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 112.872 0.693 . . . . 0.36 112.872 -174.829 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 577' ' ' GLN . . . . . 0.579 ' HG3' ' O ' ' A' ' 573' ' ' VAL . 25.5 mt-30 -71.77 -42.87 66.65 Favored 'General case' 0 C--N 1.324 -0.506 0 C-N-CA 120.423 -0.511 . . . . 1.89 109.844 172.657 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 578' ' ' GLU . . . . . . . . . . . . . 10.2 mm-40 -88.53 -38.27 15.06 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.009 -0.541 . . . . 2.14 111.031 -178.848 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 579' ' ' LYS . . . . . . . . . . . . . 56.4 mtpt -129.26 87.55 53.45 Favored Pre-proline 0 C--N 1.327 -0.407 0 CA-C-O 120.797 0.332 . . . . 2.46 110.501 176.625 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 580' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_endo -70.51 161.39 46.2 Favored 'Trans proline' 0 N--CA 1.463 -0.277 0 C-N-CA 122.626 2.217 . . . . 0.37 112.227 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 581' ' ' ALA . . . . . 0.449 ' O ' ' HG ' ' A' ' 588' ' ' LEU . . . -92.68 137.25 32.53 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 109.101 -0.703 . . . . 0.27 109.101 177.507 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 582' ' ' ILE . . . . . . . . . . . . . 51.3 mt -104.3 124.16 58.6 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.735 0 CA-C-O 120.886 0.374 . . . . 0.51 110.981 -176.54 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 583' ' ' ILE . . . . . . . . . . . . . 29.5 mm -125.47 111.65 28.15 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 N-CA-C 108.89 -0.781 . . . . 0.51 108.89 173.372 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 584' ' ' ASN . . . . . . . . . . . . . 95.1 m-20 57.6 34.42 24.51 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-O 121.407 0.622 . . . . 1.1 110.542 -178.631 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 585' ' ' GLY . . . . . . . . . . . . . . . 84.75 6.0 85.87 Favored Glycine 0 N--CA 1.445 -0.758 0 CA-C-N 115.48 -0.782 . . . . 0.44 113.412 177.558 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 586' ' ' GLU . . . . . . . . . . . . . 37.5 mm-40 -101.24 124.62 47.23 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 117.132 0.466 . . . . 1.79 110.423 177.761 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 587' ' ' LYS . . . . . . . . . . . . . 66.9 mttm -76.42 119.56 20.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.126 -0.488 . . . . 1.67 110.838 173.747 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 588' ' ' LEU . . . . . 0.484 HD12 HD11 ' A' ' 540' ' ' LEU . 46.9 mt -83.38 138.63 33.42 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.234 -0.439 . . . . 0.24 111.023 -178.654 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 589' ' ' LEU . . . . . . . . . . . . . 65.3 tp -113.08 114.77 27.3 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.859 -0.61 . . . . 0.38 110.834 -179.432 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 590' ' ' ILE . . . . . 0.495 HD12 ' CD2' ' A' ' 576' ' ' TYR . 22.7 mt -102.81 125.21 57.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 N-CA-C 110.142 -0.318 . . . . 0.26 110.142 175.084 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 591' ' ' ARG . . . . . . . . . . . . . 61.5 mtp180 -147.38 165.4 30.32 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 109.835 -0.432 . . . . 2.62 109.835 -176.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 592' ' ' MET . . . . . . . . . . . . . 62.6 mtt -82.42 143.84 30.9 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 109.691 -0.485 . . . . 0.34 109.691 177.579 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 593' ' ' SER . . . . . . . . . . . . . 47.6 t -85.55 137.8 32.63 Favored 'General case' 0 C--O 1.236 0.382 0 CA-C-O 121.062 0.458 . . . . 1.37 111.412 -176.149 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 594' ' ' THR . . . . . . . . . . . . . 23.2 p -91.23 -16.4 27.7 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 114.843 -1.072 . . . . 0.38 111.914 -179.227 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 595' ' ' ARG . . . . . . . . . . . . . 64.5 mtp180 -100.68 -28.03 13.06 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 112.731 0.641 . . . . 2.75 112.731 -168.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 596' ' ' TYR . . . . . . . . . . . . . 90.7 m-85 -127.43 147.64 50.29 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 121.068 0.461 . . . . 0.65 111.685 -177.297 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 597' ' ' LYS . . . . . 0.483 ' N ' ' HD2' ' A' ' 597' ' ' LYS . 11.7 mptt -107.66 -13.9 14.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.607 -0.724 . . . . 2.18 111.828 178.826 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 598' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -143.24 150.77 39.76 Favored 'General case' 0 C--N 1.326 -0.441 0 C-N-CA 120.65 -0.42 . . . . 0.95 110.968 178.7 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 599' ' ' LEU . . . . . 0.757 HD21 HG13 ' A' ' 521' ' ' VAL . 37.9 mt -102.41 122.75 44.91 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.594 -0.73 . . . . 0.45 111.462 177.101 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 600' ' ' GLN . . . . . . . . . . . . . 24.7 tt0 -103.71 123.57 47.27 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.361 -0.836 . . . . 1.52 110.441 178.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 601' ' ' LEU . . . . . . . . . . . . . 54.9 mt -82.98 97.87 8.95 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.942 0.401 . . . . 0.46 111.304 179.849 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 602' ' ' LYS . . . . . . . . . . . . . 52.2 mtmt -81.82 -16.61 50.29 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.15 0.5 . . . . 1.73 110.298 173.833 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 603' ' ' LYS . . . . . . . . . . . . . 34.4 mmtp . . . . . 0 C--N 1.324 -0.541 0 CA-C-N 115.981 -0.554 . . . . 1.69 110.062 -178.452 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 607' ' ' ASN . . . . . . . . . . . . . 49.0 t30 . . . . . 0 N--CA 1.454 -0.252 0 N-CA-C 109.847 -0.427 . . . . 1.33 109.847 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 608' ' ' VAL . . . . . 0.603 HG13 HG21 ' A' ' 538' ' ' ILE . 72.7 t -83.19 -21.04 9.06 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.713 0 CA-C-N 115.801 -0.636 . . . . 0.3 110.635 -175.241 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 609' ' ' ALA . . . . . . . . . . . . . . . -62.09 -33.05 73.7 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.303 0.573 . . . . 0.44 110.364 172.829 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 610' ' ' ALA . . . . . . . . . . . . . . . -66.02 -29.66 70.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.808 -0.633 . . . . 0.4 109.868 176.389 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 611' ' ' ILE . . . . . 0.403 ' O ' ' HB2' ' A' ' 614' ' ' ASP . 74.5 mt -70.6 -30.11 41.11 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 115.607 -0.724 . . . . 0.25 109.466 178.602 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 612' ' ' ILE . . . . . 0.443 ' CG1' HD13 ' A' ' 542' ' ' LEU . 69.8 mt -60.92 -39.49 82.21 Favored 'Isoleucine or valine' 0 C--O 1.235 0.296 0 CA-C-O 121.218 0.532 . . . . 0.31 109.721 171.459 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 613' ' ' GLN . . . . . . . . . . . . . 30.5 mm-40 -63.95 -31.51 72.71 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.719 -0.673 . . . . 2.31 110.303 177.326 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 614' ' ' ASP . . . . . 0.403 ' HB2' ' O ' ' A' ' 611' ' ' ILE . 2.8 m-20 -65.6 -45.47 83.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.793 -0.64 . . . . 1.95 110.254 177.214 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 615' ' ' ILE . . . . . 0.495 HD11 ' HA ' ' A' ' 539' ' ' ASN . 85.6 mt -62.26 -46.14 97.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 115.932 -0.577 . . . . 0.35 110.823 178.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 616' ' ' HIS . . . . . . . . . . . . . 48.7 m170 -63.27 -34.59 78.01 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.736 -0.666 . . . . 1.26 110.912 -179.822 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 617' ' ' SER . . . . . . . . . . . . . 64.8 m . . . . . 0 C--N 1.327 -0.398 0 CA-C-N 116.315 -0.402 . . . . 1.18 110.721 176.601 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 520' ' ' ARG . . . . . . . . . . . . . 8.6 mtm-85 . . . . . 0 N--CA 1.451 -0.389 0 CA-C-O 121.075 0.464 . . . . 2.22 110.54 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 521' ' ' VAL . . . . . 0.648 HG13 HD21 ' A' ' 599' ' ' LEU . 86.2 t -117.36 121.6 68.0 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.007 0 CA-C-N 115.664 -0.698 . . . . 0.32 110.168 169.355 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 522' ' ' VAL . . . . . 0.468 ' HB ' ' O ' ' A' ' 561' ' ' LEU . 23.8 t -120.31 121.03 64.61 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.856 0 N-CA-C 107.724 -1.213 . . . . 0.22 107.724 178.306 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 523' ' ' HIS . . . . . 0.464 ' HB2' ' OG ' ' A' ' 593' ' ' SER . 55.1 t-80 -105.75 134.62 48.58 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-O 121.163 0.506 . . . . 0.44 110.747 -172.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 524' ' ' ILE . . . . . 0.482 HD11 HD22 ' A' ' 561' ' ' LEU . 28.1 mt -113.68 140.07 35.97 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.877 0 N-CA-C 108.431 -0.951 . . . . 0.19 108.431 177.488 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 525' ' ' CYS . . . . . 0.539 ' SG ' ' HB3' ' A' ' 589' ' ' LEU . 4.1 p -140.0 166.22 25.23 Favored 'General case' 0 C--N 1.314 -0.943 0 C-N-CA 120.503 -0.479 . . . . 1.17 111.669 -175.921 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 526' ' ' ASN . . . . . 0.486 ' HB2' ' O ' ' A' ' 525' ' ' CYS . 92.9 m-20 86.73 28.0 0.04 OUTLIER 'General case' 0 N--CA 1.471 0.593 0 O-C-N 124.991 1.432 . . . . 0.26 109.984 177.316 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 527' ' ' LEU . . . . . 0.559 ' HB3' ' SG ' ' A' ' 532' ' ' CYS . 81.0 mt -90.1 123.77 65.05 Favored Pre-proline 0 C--N 1.323 -0.57 0 CA-C-N 115.274 -0.875 . . . . 0.25 109.057 177.938 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 528' ' ' PRO . . . . . 0.427 ' HD3' ' HA ' ' A' ' 527' ' ' LEU . 8.3 Cg_exo -73.05 134.55 21.55 Favored 'Trans proline' 0 N--CA 1.46 -0.489 0 C-N-CA 121.733 1.622 . . . . 0.38 111.978 179.773 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 529' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -65.53 129.34 39.4 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 109.348 -0.612 . . . . 1.6 109.348 178.249 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 530' ' ' GLY . . . . . . . . . . . . . . . 94.88 4.2 61.79 Favored Glycine 0 N--CA 1.448 -0.523 0 C-N-CA 120.176 -1.011 . . . . 0.48 110.95 -172.569 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 531' ' ' SER . . . . . . . . . . . . . 64.8 m -150.36 9.81 0.65 Allowed 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.13 0.49 . . . . 1.08 110.309 -178.499 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 532' ' ' CYS . . . . . 0.559 ' SG ' ' HB3' ' A' ' 527' ' ' LEU . 41.4 m -92.21 85.95 5.61 Favored 'General case' 0 CA--C 1.513 -0.449 0 N-CA-C 108.51 -0.922 . . . . 0.25 108.51 177.115 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 533' ' ' THR . . . . . 0.466 ' O ' HG23 ' A' ' 537' ' ' VAL . 28.3 p -96.19 152.91 18.12 Favored 'General case' 0 N--CA 1.441 -0.89 0 C-N-CA 119.601 -0.84 . . . . 0.35 108.848 -178.246 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 534' ' ' GLU . . . . . 0.518 ' HA ' HD11 ' A' ' 552' ' ' LEU . 43.9 mt-10 -65.11 -34.79 79.24 Favored 'General case' 0 C--N 1.317 -0.837 0 N-CA-C 108.671 -0.863 . . . . 1.64 108.671 176.562 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 535' ' ' ASN . . . . . . . . . . . . . 4.6 m-20 -63.94 -48.29 77.11 Favored 'General case' 0 C--O 1.211 -0.964 0 CA-C-N 114.629 -1.169 . . . . 1.82 111.513 -176.68 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 536' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -69.88 -45.28 68.01 Favored 'General case' 0 N--CA 1.475 0.78 0 CA-C-N 118.604 0.638 . . . . 0.61 111.411 -173.878 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 537' ' ' VAL . . . . . 0.466 HG23 ' O ' ' A' ' 533' ' ' THR . 39.2 t -59.77 -47.89 89.64 Favored 'Isoleucine or valine' 0 C--O 1.243 0.712 0 CA-C-O 122.269 1.033 . . . . 0.15 110.039 -179.453 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 538' ' ' ILE . . . . . 0.621 HG21 HG13 ' A' ' 608' ' ' VAL . 72.6 mt -68.51 -32.25 54.54 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.904 0 CA-C-N 115.013 -0.994 . . . . 0.23 111.409 176.129 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 539' ' ' ASN . . . . . 0.473 ' HA ' HD11 ' A' ' 615' ' ' ILE . 10.1 m120 -57.38 -27.88 62.7 Favored 'General case' 0 CA--C 1.513 -0.479 0 N-CA-C 109.98 -0.378 . . . . 0.25 109.98 175.495 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 540' ' ' LEU . . . . . 0.548 HD11 HD12 ' A' ' 588' ' ' LEU . 76.6 mt -75.35 -41.61 56.19 Favored 'General case' 0 C--N 1.32 -0.675 0 C-N-CA 120.722 -0.391 . . . . 0.27 109.993 175.366 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 541' ' ' GLY . . . . . 0.595 ' HA2' ' SD ' ' A' ' 572' ' ' MET . . . -67.3 -51.87 35.12 Favored Glycine 0 CA--C 1.528 0.851 0 N-CA-C 116.034 1.174 . . . . 0.19 116.034 -179.02 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 542' ' ' LEU . . . . . 0.539 ' HB2' ' CD1' ' A' ' 615' ' ' ILE . 62.1 mt -59.98 -40.91 82.01 Favored Pre-proline 0 C--N 1.318 -0.774 0 N-CA-C 115.443 1.645 . . . . 0.2 115.443 -167.768 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 543' ' ' PRO . . . . . 0.411 ' HG3' HG21 ' A' ' 615' ' ' ILE . 50.3 Cg_exo -60.11 -22.96 71.92 Favored 'Trans proline' 0 CA--C 1.534 0.512 0 C-N-CA 121.787 1.658 . . . . 0.23 113.574 -178.656 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 544' ' ' PHE . . . . . . . . . . . . . 92.6 m-85 -104.41 -13.52 16.05 Favored 'General case' 0 C--O 1.234 0.262 0 O-C-N 122.07 -0.394 . . . . 0.33 111.941 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 545' ' ' GLY . . . . . 0.504 ' O ' ' HA ' ' A' ' 542' ' ' LEU . . . -178.04 -174.63 44.52 Favored Glycine 0 C--O 1.225 -0.453 0 C-N-CA 120.573 -0.822 . . . . 0.44 112.292 -177.29 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 546' ' ' LYS . . . . . . . . . . . . . 63.2 tttp -95.7 122.97 39.03 Favored 'General case' 0 C--N 1.321 -0.659 0 O-C-N 122.304 -0.527 . . . . 2.07 110.107 -177.443 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 547' ' ' VAL . . . . . 0.59 ' HB ' HG11 ' A' ' 608' ' ' VAL . 77.2 t -85.18 114.26 24.98 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-O 120.915 0.388 . . . . 0.2 109.973 175.72 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 548' ' ' THR . . . . . . . . . . . . . 25.0 p -98.04 -35.02 10.57 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.993 -0.548 . . . . 0.31 111.598 179.384 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 549' ' ' ASN . . . . . 0.426 ' HB2' ' CB ' ' A' ' 562' ' ' GLU . 17.0 m120 -141.87 153.58 44.54 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.082 -0.508 . . . . 1.26 109.751 -178.917 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 550' ' ' TYR . . . . . 0.594 ' CG ' HD11 ' A' ' 538' ' ' ILE . 3.3 p90 -157.03 151.93 25.9 Favored 'General case' 0 C--N 1.318 -0.761 0 N-CA-C 109.451 -0.574 . . . . 0.31 109.451 -178.692 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 551' ' ' ILE . . . . . 0.559 ' HB ' ' HB2' ' A' ' 560' ' ' PHE . 66.7 mt -141.35 123.73 14.67 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 N-CA-C 108.349 -0.982 . . . . 0.22 108.349 -177.4 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 552' ' ' LEU . . . . . 0.518 HD11 ' HA ' ' A' ' 534' ' ' GLU . 19.7 mt -107.23 119.24 38.84 Favored 'General case' 0 C--N 1.315 -0.897 0 C-N-CA 120.192 -0.603 . . . . 0.43 111.449 -177.493 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 553' ' ' MET . . . . . . . . . . . . . 22.4 mtp -109.94 79.51 1.22 Allowed 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 108.708 -0.849 . . . . 1.03 108.708 -178.09 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 554' ' ' LYS . . . . . 0.539 ' HD2' ' HB2' ' A' ' 532' ' ' CYS . 20.7 mmtp -53.98 -31.13 49.86 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 114.824 -1.08 . . . . 1.03 112.861 176.062 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 555' ' ' SER . . . . . . . . . . . . . 66.8 p -70.14 -45.34 66.99 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 120.899 0.38 . . . . 0.51 111.63 -172.797 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 556' ' ' THR . . . . . 0.468 ' O ' ' HG3' ' A' ' 558' ' ' GLN . 44.8 p -98.72 6.94 46.62 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.398 -0.365 . . . . 0.45 111.797 -174.508 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 557' ' ' ASN . . . . . . . . . . . . . 18.7 m120 59.95 39.8 19.71 Favored 'General case' 0 C--O 1.237 0.426 0 CA-C-O 121.642 0.734 . . . . 1.28 110.252 -177.828 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 558' ' ' GLN . . . . . 0.468 ' HG3' ' O ' ' A' ' 556' ' ' THR . 41.9 mt-30 -135.36 166.39 23.25 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.128 -0.942 . . . . 0.84 109.972 -176.033 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 559' ' ' ALA . . . . . . . . . . . . . . . -159.1 164.19 35.53 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.922 0.392 . . . . 0.16 111.177 174.807 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 560' ' ' PHE . . . . . 0.559 ' HB2' ' HB ' ' A' ' 551' ' ' ILE . 93.9 m-85 -120.0 148.11 43.96 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.235 -0.439 . . . . 0.35 110.619 176.277 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 561' ' ' LEU . . . . . 0.482 HD22 HD11 ' A' ' 524' ' ' ILE . 50.2 tp -136.9 118.99 15.41 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.769 -0.65 . . . . 0.2 110.047 -178.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 562' ' ' GLU . . . . . 0.426 ' CB ' ' HB2' ' A' ' 549' ' ' ASN . 0.2 OUTLIER -100.93 135.9 41.65 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.234 0.54 . . . . 2.09 109.99 177.586 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 563' ' ' MET . . . . . 0.663 ' SD ' ' HA ' ' A' ' 569' ' ' ALA . 34.0 mtt -124.15 142.37 51.28 Favored 'General case' 0 C--N 1.315 -0.913 0 CA-C-N 115.154 -0.93 . . . . 0.39 108.789 -172.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 564' ' ' ALA . . . . . . . . . . . . . . . -59.88 -26.86 66.21 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 112.69 0.626 . . . . 0.5 112.69 -168.683 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 565' ' ' TYR . . . . . . . . . . . . . 89.5 m-85 -141.2 155.7 46.02 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.208 0.528 . . . . 1.15 110.99 179.297 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 566' ' ' THR . . . . . . . . . . . . . 14.7 t -64.82 -26.89 68.53 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.278 -0.873 . . . . 0.57 110.699 -179.207 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 567' ' ' GLU . . . . . 0.425 ' HA ' ' OE1' ' A' ' 570' ' ' GLN . 6.4 pt-20 -57.91 -33.29 68.61 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-N 115.934 -0.575 . . . . 0.89 111.005 177.018 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 568' ' ' ALA . . . . . 0.668 ' O ' ' HG3' ' A' ' 572' ' ' MET . . . -73.78 -43.6 58.45 Favored 'General case' 0 N--CA 1.449 -0.495 0 CA-C-N 115.963 -0.562 . . . . 0.26 110.301 -177.669 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 569' ' ' ALA . . . . . 0.663 ' HA ' ' SD ' ' A' ' 563' ' ' MET . . . -62.02 -45.2 94.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.88 -0.6 . . . . 0.24 111.25 -175.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 570' ' ' GLN . . . . . 0.425 ' OE1' ' HA ' ' A' ' 567' ' ' GLU . 4.9 pt20 -67.54 -38.78 84.69 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.265 -0.425 . . . . 1.24 110.835 -178.261 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 571' ' ' ALA . . . . . . . . . . . . . . . -64.64 -44.25 91.06 Favored 'General case' 0 N--CA 1.453 -0.296 0 CA-C-N 116.275 -0.42 . . . . 0.31 111.185 -177.923 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 572' ' ' MET . . . . . 0.668 ' HG3' ' O ' ' A' ' 568' ' ' ALA . 26.1 mtt -68.44 -43.77 76.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.233 -0.439 . . . . 0.47 110.617 -178.24 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 573' ' ' VAL . . . . . 0.694 ' O ' ' HG2' ' A' ' 577' ' ' GLN . 71.6 t -58.68 -46.76 90.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 N-CA-C 110.049 -0.352 . . . . 0.34 110.049 178.629 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 574' ' ' GLN . . . . . . . . . . . . . 99.2 mt-30 -60.97 -37.08 81.19 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.933 0.396 . . . . 2.09 110.971 179.331 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 575' ' ' TYR . . . . . . . . . . . . . 78.3 t80 -69.45 -53.83 17.33 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.205 -0.452 . . . . 0.48 111.167 -178.485 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 576' ' ' TYR . . . . . 0.474 ' CD2' HD12 ' A' ' 590' ' ' ILE . 97.0 m-85 -76.68 -13.29 60.06 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 113.089 0.774 . . . . 0.36 113.089 -173.661 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 577' ' ' GLN . . . . . 0.694 ' HG2' ' O ' ' A' ' 573' ' ' VAL . 82.1 mm-40 -68.28 -42.03 80.13 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 109.275 -0.639 . . . . 1.89 109.275 171.821 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 578' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -88.17 -38.49 15.29 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.893 -0.594 . . . . 2.14 111.467 178.508 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 579' ' ' LYS . . . . . . . . . . . . . 62.9 mttp -130.74 84.39 58.79 Favored Pre-proline 0 C--N 1.327 -0.397 0 CA-C-O 120.7 0.286 . . . . 2.46 110.779 179.525 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 580' ' ' PRO . . . . . . . . . . . . . 48.2 Cg_endo -69.67 161.37 46.16 Favored 'Trans proline' 0 C--O 1.233 0.234 0 C-N-CA 122.845 2.363 . . . . 0.37 112.113 179.232 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 581' ' ' ALA . . . . . 0.411 ' O ' ' HG ' ' A' ' 588' ' ' LEU . . . -92.32 140.33 29.71 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.278 -0.419 . . . . 0.27 109.959 -178.251 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 582' ' ' ILE . . . . . . . . . . . . . 45.1 mt -100.14 124.41 53.59 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.769 0 CA-C-O 120.862 0.363 . . . . 0.51 111.762 -175.15 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 583' ' ' ILE . . . . . 0.417 ' CG1' HD11 ' A' ' 588' ' ' LEU . 33.2 mm -132.14 115.38 26.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 115.841 -0.618 . . . . 0.51 109.368 173.456 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 584' ' ' ASN . . . . . . . . . . . . . 83.1 m-20 56.8 33.35 22.89 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-O 121.093 0.473 . . . . 1.1 110.764 -178.294 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 585' ' ' GLY . . . . . . . . . . . . . . . 83.39 5.54 88.57 Favored Glycine 0 N--CA 1.447 -0.63 0 CA-C-N 115.761 -0.654 . . . . 0.44 113.258 176.827 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 586' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -110.68 127.92 55.49 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 117.025 0.413 . . . . 1.79 110.895 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 587' ' ' LYS . . . . . . . . . . . . . 32.2 mmtp -72.73 123.25 22.92 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.509 -0.768 . . . . 1.67 111.236 179.19 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 588' ' ' LEU . . . . . 0.548 HD12 HD11 ' A' ' 540' ' ' LEU . 47.3 mt -81.6 134.3 35.48 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 120.885 0.374 . . . . 0.24 110.598 178.907 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 589' ' ' LEU . . . . . 0.539 ' HB3' ' SG ' ' A' ' 525' ' ' CYS . 46.4 tp -112.85 113.46 25.55 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.869 -0.605 . . . . 0.38 110.896 -176.667 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 590' ' ' ILE . . . . . 0.474 HD12 ' CD2' ' A' ' 576' ' ' TYR . 17.2 mt -100.76 127.45 53.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.504 -0.316 . . . . 0.26 110.302 177.483 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 591' ' ' ARG . . . . . . . . . . . . . 18.5 mtp180 -147.36 162.61 38.62 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-N 116.407 -0.36 . . . . 2.62 110.595 -177.356 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 592' ' ' MET . . . . . . . . . . . . . 63.9 mtt -83.84 133.34 34.75 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 109.871 -0.418 . . . . 0.34 109.871 176.733 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 593' ' ' SER . . . . . 0.464 ' OG ' ' HB2' ' A' ' 523' ' ' HIS . 69.7 m -77.29 135.31 38.41 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.726 0.774 . . . . 1.37 112.366 -175.141 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 594' ' ' THR . . . . . . . . . . . . . 17.5 p -89.52 -15.89 31.95 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 114.707 -1.133 . . . . 0.38 111.624 -179.591 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 595' ' ' ARG . . . . . . . . . . . . . 60.7 mtp180 -101.65 -28.33 12.56 Favored 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 112.867 0.691 . . . . 2.75 112.867 -170.524 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 596' ' ' TYR . . . . . . . . . . . . . 71.3 m-85 -126.19 141.99 51.7 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.254 0.55 . . . . 0.65 112.225 -175.652 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 597' ' ' LYS . . . . . 0.468 ' N ' ' HD2' ' A' ' 597' ' ' LYS . 0.5 OUTLIER -110.02 -6.35 15.18 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 114.913 -1.04 . . . . 2.18 111.489 177.69 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 598' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -142.0 151.38 42.43 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.033 0.444 . . . . 0.95 110.996 -176.334 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 599' ' ' LEU . . . . . 0.648 HD21 HG13 ' A' ' 521' ' ' VAL . 54.0 mt -123.65 121.19 34.91 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.368 -0.833 . . . . 0.45 110.159 177.642 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 600' ' ' GLN . . . . . . . . . . . . . 26.9 tt0 -111.87 123.94 51.32 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 116.12 -0.491 . . . . 1.52 109.877 177.719 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 601' ' ' LEU . . . . . . . . . . . . . 48.2 mt -75.9 90.06 2.94 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.973 0.416 . . . . 0.46 110.824 -179.685 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 602' ' ' LYS . . . . . . . . . . . . . 93.9 mttt -73.77 -13.76 61.0 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.866 -0.606 . . . . 1.73 110.538 178.36 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 603' ' ' LYS . . . . . . . . . . . . . 34.7 mmtp . . . . . 0 C--N 1.325 -0.491 0 CA-C-N 115.862 -0.608 . . . . 1.69 109.82 -179.64 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 607' ' ' ASN . . . . . . . . . . . . . 25.5 t-20 . . . . . 0 C--O 1.233 0.231 0 CA-C-O 121.166 0.508 . . . . 1.33 111.007 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 608' ' ' VAL . . . . . 0.621 HG13 HG21 ' A' ' 538' ' ' ILE . 73.6 t -91.46 -23.67 5.77 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 CA-C-N 115.591 -0.731 . . . . 0.3 111.302 -175.084 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 609' ' ' ALA . . . . . . . . . . . . . . . -60.46 -33.2 72.22 Favored 'General case' 0 C--O 1.237 0.414 0 CA-C-O 121.411 0.624 . . . . 0.44 110.99 176.463 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 610' ' ' ALA . . . . . . . . . . . . . . . -63.31 -28.58 70.11 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.813 -0.63 . . . . 0.4 110.35 176.377 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 611' ' ' ILE . . . . . 0.401 ' O ' HG13 ' A' ' 615' ' ' ILE . 76.7 mt -71.67 -29.33 33.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 115.773 -0.648 . . . . 0.25 109.711 178.289 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 612' ' ' ILE . . . . . 0.534 ' CG1' HD13 ' A' ' 542' ' ' LEU . 65.0 mt -60.44 -43.53 94.31 Favored 'Isoleucine or valine' 0 C--O 1.233 0.236 0 N-CA-C 109.561 -0.533 . . . . 0.31 109.561 172.218 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 613' ' ' GLN . . . . . . . . . . . . . 26.1 mm-40 -64.38 -32.25 73.79 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.455 -0.793 . . . . 2.31 109.854 177.207 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 614' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -66.09 -43.75 86.42 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.062 -0.972 . . . . 1.95 110.445 178.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 615' ' ' ILE . . . . . 0.539 ' CD1' ' HB2' ' A' ' 542' ' ' LEU . 85.3 mt -62.69 -47.7 91.64 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 115.981 -0.554 . . . . 0.35 110.736 177.382 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 616' ' ' HIS . . . . . . . . . . . . . 61.8 m170 -64.74 -35.41 80.98 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.448 -0.796 . . . . 1.26 111.226 -178.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 617' ' ' SER . . . . . . . . . . . . . 33.8 t . . . . . 0 C--N 1.325 -0.458 0 CA-C-O 120.729 0.3 . . . . 1.18 111.16 179.446 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 520' ' ' ARG . . . . . 0.736 ' NH1' ' HA ' ' A' ' 566' ' ' THR . 6.0 mtm105 . . . . . 0 N--CA 1.45 -0.467 0 CA-C-O 121.019 0.437 . . . . 2.22 111.175 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 521' ' ' VAL . . . . . 0.846 HG13 HD21 ' A' ' 599' ' ' LEU . 84.8 t -117.11 124.07 72.57 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 CA-C-N 115.67 -0.695 . . . . 0.32 110.9 169.349 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 522' ' ' VAL . . . . . 0.593 ' HB ' ' O ' ' A' ' 561' ' ' LEU . 25.2 t -120.2 121.62 66.22 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 N-CA-C 108.142 -1.058 . . . . 0.22 108.142 173.668 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 523' ' ' HIS . . . . . 0.472 ' HB2' ' OG ' ' A' ' 593' ' ' SER . 47.5 t-80 -105.68 132.59 51.63 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 121.258 0.551 . . . . 0.44 110.842 -173.527 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 524' ' ' ILE . . . . . 0.46 HG23 HG12 ' A' ' 590' ' ' ILE . 29.3 mt -111.11 141.4 26.59 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.931 0 N-CA-C 107.984 -1.117 . . . . 0.19 107.984 176.149 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 525' ' ' CYS . . . . . 0.496 ' SG ' ' HB3' ' A' ' 589' ' ' LEU . 3.2 p -144.53 166.32 25.47 Favored 'General case' 0 C--N 1.309 -1.163 0 C-N-CA 120.226 -0.59 . . . . 1.17 111.787 -176.47 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 526' ' ' ASN . . . . . 0.47 ' HB2' ' O ' ' A' ' 525' ' ' CYS . 92.9 m-20 83.47 31.14 0.07 Allowed 'General case' 0 N--CA 1.465 0.315 0 O-C-N 124.827 1.329 . . . . 0.26 110.335 177.603 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 527' ' ' LEU . . . . . 0.432 ' HA ' ' HD3' ' A' ' 528' ' ' PRO . 80.0 mt -85.43 133.87 41.42 Favored Pre-proline 0 C--N 1.325 -0.481 0 CA-C-N 115.281 -0.872 . . . . 0.25 108.697 175.888 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 528' ' ' PRO . . . . . 0.442 ' HB2' ' HB2' ' A' ' 531' ' ' SER . 6.1 Cg_exo -73.84 134.38 19.83 Favored 'Trans proline' 0 N--CA 1.456 -0.732 0 C-N-CA 121.266 1.311 . . . . 0.38 111.489 -178.636 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 529' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -65.13 135.54 55.63 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.89 -0.596 . . . . 1.6 109.735 178.817 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 530' ' ' GLY . . . . . . . . . . . . . . . 82.27 3.04 90.69 Favored Glycine 0 N--CA 1.448 -0.509 0 C-N-CA 120.443 -0.885 . . . . 0.48 111.795 -173.477 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 531' ' ' SER . . . . . 0.442 ' HB2' ' HB2' ' A' ' 528' ' ' PRO . 48.8 m -142.28 15.08 2.03 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.165 0.507 . . . . 1.08 110.095 -176.161 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 532' ' ' CYS . . . . . . . . . . . . . 57.5 m -92.45 90.65 7.28 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 108.94 -0.763 . . . . 0.25 108.94 179.131 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 533' ' ' THR . . . . . 0.562 ' O ' HG23 ' A' ' 537' ' ' VAL . 29.8 p -98.41 149.13 22.99 Favored 'General case' 0 N--CA 1.445 -0.698 0 N-CA-C 108.765 -0.828 . . . . 0.35 108.765 -179.919 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 534' ' ' GLU . . . . . 0.526 ' N ' HD11 ' A' ' 552' ' ' LEU . 41.3 mt-10 -67.75 -34.54 77.03 Favored 'General case' 0 C--N 1.317 -0.805 0 N-CA-C 109.048 -0.723 . . . . 1.64 109.048 176.537 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 535' ' ' ASN . . . . . . . . . . . . . 10.7 t30 -62.87 -49.07 76.3 Favored 'General case' 0 N--CA 1.446 -0.652 0 CA-C-N 114.293 -1.321 . . . . 1.82 111.6 -175.524 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 536' ' ' ASP . . . . . . . . . . . . . 17.5 m-20 -70.19 -41.93 73.06 Favored 'General case' 0 N--CA 1.472 0.648 0 CA-C-N 118.338 0.517 . . . . 0.61 111.16 -175.794 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 537' ' ' VAL . . . . . 0.562 HG23 ' O ' ' A' ' 533' ' ' THR . 44.0 t -60.06 -47.95 89.84 Favored 'Isoleucine or valine' 0 C--O 1.242 0.695 0 CA-C-N 115.205 -0.907 . . . . 0.15 109.809 179.898 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 538' ' ' ILE . . . . . 0.659 HD11 ' CG ' ' A' ' 550' ' ' TYR . 54.1 mt -68.54 -34.34 64.85 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 CA-C-N 115.503 -0.771 . . . . 0.23 111.565 176.336 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 539' ' ' ASN . . . . . 0.586 ' HA ' HD11 ' A' ' 615' ' ' ILE . 10.8 m120 -58.61 -26.39 63.64 Favored 'General case' 0 N--CA 1.467 0.4 0 O-C-N 122.203 -0.31 . . . . 0.25 110.473 177.515 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 540' ' ' LEU . . . . . 0.475 HD11 HD12 ' A' ' 588' ' ' LEU . 93.4 mt -75.62 -41.16 55.09 Favored 'General case' 0 C--N 1.323 -0.572 0 C-N-CA 120.781 -0.367 . . . . 0.27 110.276 173.4 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 541' ' ' GLY . . . . . 0.487 ' HA3' HD21 ' A' ' 561' ' ' LEU . . . -64.87 -52.72 39.5 Favored Glycine 0 CA--C 1.524 0.627 0 N-CA-C 115.589 0.996 . . . . 0.19 115.589 179.657 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 542' ' ' LEU . . . . . 0.548 ' HB2' ' CD1' ' A' ' 615' ' ' ILE . 61.0 mt -58.14 -44.37 99.2 Favored Pre-proline 0 C--N 1.32 -0.677 0 N-CA-C 115.099 1.518 . . . . 0.2 115.099 -167.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 543' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -58.88 -26.68 81.82 Favored 'Trans proline' 0 C--N 1.347 0.486 0 C-N-CA 122.119 1.88 . . . . 0.23 113.492 -179.07 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 544' ' ' PHE . . . . . 0.507 ' HB2' ' HE2' ' A' ' 572' ' ' MET . 97.8 m-85 -101.25 -12.01 19.04 Favored 'General case' 0 C--N 1.331 -0.227 0 O-C-N 122.193 -0.317 . . . . 0.33 111.412 178.661 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 545' ' ' GLY . . . . . 0.546 ' O ' ' HA ' ' A' ' 542' ' ' LEU . . . 174.81 151.7 8.65 Favored Glycine 0 N--CA 1.449 -0.497 0 C-N-CA 120.706 -0.759 . . . . 0.44 112.182 -179.678 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 546' ' ' LYS . . . . . . . . . . . . . 63.1 tttm -66.53 127.44 32.35 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.037 0.446 . . . . 2.07 110.747 -178.416 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 547' ' ' VAL . . . . . 0.572 ' HB ' HG11 ' A' ' 608' ' ' VAL . 70.2 t -87.85 115.82 28.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 115.443 -0.799 . . . . 0.2 110.222 -179.942 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 548' ' ' THR . . . . . . . . . . . . . 22.8 p -97.67 -33.84 11.16 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-N 115.856 -0.611 . . . . 0.31 111.698 -179.645 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 549' ' ' ASN . . . . . 0.467 ' HB2' ' HB2' ' A' ' 562' ' ' GLU . 12.7 m120 -142.83 149.33 38.45 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 109.966 -0.383 . . . . 1.26 109.966 -178.5 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 550' ' ' TYR . . . . . 0.659 ' CG ' HD11 ' A' ' 538' ' ' ILE . 4.7 p90 -156.37 150.77 25.56 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 116.202 -0.454 . . . . 0.31 109.89 -179.729 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 551' ' ' ILE . . . . . 0.521 ' HB ' ' HB2' ' A' ' 560' ' ' PHE . 69.1 mt -144.74 124.31 6.86 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 N-CA-C 107.922 -1.14 . . . . 0.22 107.922 -175.454 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 552' ' ' LEU . . . . . 0.526 HD11 ' N ' ' A' ' 534' ' ' GLU . 28.9 mt -106.35 117.39 33.92 Favored 'General case' 0 C--N 1.312 -1.038 0 C-N-CA 119.556 -0.858 . . . . 0.43 110.264 -179.758 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 553' ' ' MET . . . . . . . . . . . . . 35.5 mtp -98.15 80.78 2.72 Favored 'General case' 0 C--N 1.317 -0.841 0 N-CA-C 108.353 -0.98 . . . . 1.03 108.353 -176.868 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 554' ' ' LYS . . . . . . . . . . . . . 19.8 mmtm -54.17 -29.14 44.5 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 114.785 -1.098 . . . . 1.03 112.793 177.886 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 555' ' ' SER . . . . . . . . . . . . . 67.1 p -69.58 -45.3 68.98 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 111.746 0.276 . . . . 0.51 111.746 -174.008 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 556' ' ' THR . . . . . . . . . . . . . 44.5 p -102.12 8.32 40.78 Favored 'General case' 0 C--O 1.236 0.342 0 N-CA-C 113.052 0.76 . . . . 0.45 113.052 -173.554 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 557' ' ' ASN . . . . . . . . . . . . . 43.5 m-80 60.29 41.24 16.75 Favored 'General case' 0 N--CA 1.473 0.701 0 CA-C-O 121.787 0.804 . . . . 1.28 110.158 -176.427 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 558' ' ' GLN . . . . . 0.431 ' HB3' ' HE2' ' A' ' 523' ' ' HIS . 77.3 mt-30 -136.62 168.44 19.5 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 114.994 -1.003 . . . . 0.84 109.855 -174.86 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 559' ' ' ALA . . . . . 0.409 ' HB1' HD23 ' A' ' 552' ' ' LEU . . . -159.2 166.03 32.31 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.989 0.424 . . . . 0.16 111.491 177.175 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 560' ' ' PHE . . . . . 0.521 ' HB2' ' HB ' ' A' ' 551' ' ' ILE . 86.1 m-85 -120.68 146.66 46.2 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 116.102 -0.499 . . . . 0.35 110.774 176.262 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 561' ' ' LEU . . . . . 0.593 ' O ' ' HB ' ' A' ' 522' ' ' VAL . 46.1 tp -138.49 118.13 13.06 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.896 -0.593 . . . . 0.2 110.351 -179.905 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 562' ' ' GLU . . . . . 0.467 ' HB2' ' HB2' ' A' ' 549' ' ' ASN . 0.0 OUTLIER -105.02 137.63 42.47 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.389 0.614 . . . . 2.09 110.43 178.099 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 563' ' ' MET . . . . . 0.452 ' H ' HH21 ' A' ' 520' ' ' ARG . 2.7 mtt -124.45 151.29 44.71 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 115.077 -0.965 . . . . 0.39 109.309 -171.382 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 564' ' ' ALA . . . . . . . . . . . . . . . -71.2 -17.46 62.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.803 0.335 . . . . 0.5 111.622 -169.194 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 565' ' ' TYR . . . . . . . . . . . . . 84.0 m-85 -138.73 144.16 39.37 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 109.399 -0.593 . . . . 1.15 109.399 178.923 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 566' ' ' THR . . . . . 0.736 ' HA ' ' NH1' ' A' ' 520' ' ' ARG . 5.0 t -67.69 -27.69 67.04 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.243 -0.435 . . . . 0.57 110.392 -178.488 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 567' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -56.31 -31.29 63.54 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-N 115.363 -0.835 . . . . 0.89 110.99 175.524 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 568' ' ' ALA . . . . . 0.714 ' O ' ' HG3' ' A' ' 572' ' ' MET . . . -68.79 -42.21 77.69 Favored 'General case' 0 N--CA 1.449 -0.484 0 CA-C-N 116.07 -0.514 . . . . 0.26 110.245 -176.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 569' ' ' ALA . . . . . 0.539 ' CB ' HH12 ' A' ' 520' ' ' ARG . . . -66.1 -45.13 82.27 Favored 'General case' 0 CA--C 1.514 -0.429 0 CA-C-N 116.302 -0.408 . . . . 0.24 111.521 -176.165 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 570' ' ' GLN . . . . . . . . . . . . . 12.9 pt20 -68.04 -35.78 78.82 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.397 -0.365 . . . . 1.24 110.346 -178.699 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 571' ' ' ALA . . . . . . . . . . . . . . . -63.48 -43.64 96.69 Favored 'General case' 0 N--CA 1.453 -0.293 0 CA-C-N 116.395 -0.366 . . . . 0.31 110.502 176.013 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 572' ' ' MET . . . . . 0.714 ' HG3' ' O ' ' A' ' 568' ' ' ALA . 31.1 mtt -66.61 -44.46 82.02 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.433 -0.349 . . . . 0.47 110.504 178.126 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 573' ' ' VAL . . . . . 0.517 HG23 ' O ' ' A' ' 569' ' ' ALA . 76.2 t -59.14 -47.2 90.94 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.299 0 C-N-CA 121.208 -0.197 . . . . 0.34 110.481 179.58 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 574' ' ' GLN . . . . . . . . . . . . . 79.8 mm-40 -61.27 -38.99 88.72 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.969 0.414 . . . . 2.09 110.618 178.017 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 575' ' ' TYR . . . . . . . . . . . . . 86.9 t80 -69.66 -53.9 16.48 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.91 -0.586 . . . . 0.48 111.276 -178.329 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 576' ' ' TYR . . . . . 0.565 ' HA ' ' O ' ' A' ' 579' ' ' LYS . 82.2 m-85 -76.41 -13.66 60.11 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 112.755 0.65 . . . . 0.36 112.755 -174.586 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 577' ' ' GLN . . . . . 0.489 ' HA ' ' OE1' ' A' ' 577' ' ' GLN . 13.2 mm-40 -77.09 -41.65 41.31 Favored 'General case' 0 C--N 1.325 -0.47 0 C-N-CA 120.318 -0.553 . . . . 1.89 110.322 170.708 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 578' ' ' GLU . . . . . . . . . . . . . 28.5 mm-40 -77.39 -37.54 51.81 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.019 0.438 . . . . 2.14 110.283 177.265 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 579' ' ' LYS . . . . . 0.565 ' O ' ' HA ' ' A' ' 576' ' ' TYR . 57.9 mtpt -138.4 96.05 10.01 Favored Pre-proline 0 C--N 1.326 -0.439 0 CA-C-N 116.042 -0.526 . . . . 2.46 110.058 177.769 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 580' ' ' PRO . . . . . . . . . . . . . 38.3 Cg_endo -66.72 159.6 50.42 Favored 'Trans proline' 0 C--O 1.234 0.293 0 C-N-CA 122.069 1.846 . . . . 0.37 111.76 179.206 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 581' ' ' ALA . . . . . 0.417 ' HB2' ' CE1' ' A' ' 576' ' ' TYR . . . -92.02 137.05 32.68 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.367 -0.379 . . . . 0.27 110.115 -177.306 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 582' ' ' ILE . . . . . . . . . . . . . 25.8 mt -100.61 118.5 47.39 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.679 0 CA-C-O 120.922 0.391 . . . . 0.51 111.148 -175.778 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 583' ' ' ILE . . . . . 0.416 ' CG1' HD11 ' A' ' 588' ' ' LEU . 32.0 mm -127.51 113.82 33.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 N-CA-C 109.5 -0.555 . . . . 0.51 109.5 173.321 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 584' ' ' ASN . . . . . 0.484 HD22 ' N ' ' A' ' 584' ' ' ASN . 0.8 OUTLIER 59.65 33.67 22.01 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-O 121.53 0.681 . . . . 1.1 109.991 -177.622 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 585' ' ' GLY . . . . . . . . . . . . . . . 81.28 3.01 90.74 Favored Glycine 0 N--CA 1.445 -0.703 0 CA-C-N 115.223 -0.899 . . . . 0.44 112.955 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 586' ' ' GLU . . . . . . . . . . . . . 10.4 mm-40 -100.54 126.34 46.97 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.123 0.487 . . . . 1.79 111.105 -178.931 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 587' ' ' LYS . . . . . . . . . . . . . 34.0 mmtp -76.82 118.54 19.53 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.111 -0.95 . . . . 1.67 110.82 177.147 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 588' ' ' LEU . . . . . 0.475 HD12 HD11 ' A' ' 540' ' ' LEU . 36.3 mt -86.31 141.12 29.47 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.1 -0.5 . . . . 0.24 111.241 -177.666 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 589' ' ' LEU . . . . . 0.496 ' HB3' ' SG ' ' A' ' 525' ' ' CYS . 58.8 tp -113.6 112.56 23.72 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.796 -0.638 . . . . 0.38 110.803 179.471 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 590' ' ' ILE . . . . . 0.49 HD12 ' CD2' ' A' ' 576' ' ' TYR . 25.4 mt -102.94 121.38 54.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 N-CA-C 110.083 -0.339 . . . . 0.26 110.083 176.254 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 591' ' ' ARG . . . . . . . . . . . . . 15.2 mtp180 -147.19 166.03 28.24 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-N 116.52 -0.309 . . . . 2.62 110.505 -176.743 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 592' ' ' MET . . . . . . . . . . . . . 63.3 mtt -82.71 142.8 31.37 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 110.098 -0.334 . . . . 0.34 110.098 178.731 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 593' ' ' SER . . . . . 0.472 ' OG ' ' HB2' ' A' ' 523' ' ' HIS . 74.1 m -85.84 139.23 31.45 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.618 0.723 . . . . 1.37 112.243 -177.326 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 594' ' ' THR . . . . . . . . . . . . . 18.5 p -90.89 -16.42 28.19 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 114.453 -1.249 . . . . 0.38 112.483 -178.296 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 595' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -101.63 -29.82 11.71 Favored 'General case' 0 N--CA 1.466 0.344 0 N-CA-C 112.497 0.554 . . . . 2.75 112.497 -169.677 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 596' ' ' TYR . . . . . . . . . . . . . 84.4 m-85 -119.82 150.82 39.81 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.047 0.451 . . . . 0.65 111.546 -174.652 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 597' ' ' LYS . . . . . 0.471 ' N ' ' HD2' ' A' ' 597' ' ' LYS . 0.4 OUTLIER -108.14 -18.86 13.67 Favored 'General case' 0 C--O 1.22 -0.47 0 CA-C-N 115.553 -0.749 . . . . 2.18 111.557 -178.536 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 598' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -143.2 150.09 38.88 Favored 'General case' 0 C--N 1.326 -0.439 0 C-N-CA 120.375 -0.53 . . . . 0.95 111.171 -178.516 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 599' ' ' LEU . . . . . 0.846 HD21 HG13 ' A' ' 521' ' ' VAL . 38.9 mt -101.26 121.21 41.46 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.64 -0.709 . . . . 0.45 110.417 175.722 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 600' ' ' GLN . . . . . . . . . . . . . 51.5 tp60 -108.92 120.56 42.88 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 115.491 -0.777 . . . . 1.52 110.653 -178.668 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 601' ' ' LEU . . . . . 0.44 ' CD1' HD22 ' A' ' 549' ' ' ASN . 57.4 mt -80.17 91.66 5.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.155 0.502 . . . . 0.46 110.284 177.887 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 602' ' ' LYS . . . . . . . . . . . . . 54.7 mtpt -88.79 -11.55 44.59 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.627 -0.715 . . . . 1.73 110.246 179.84 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 603' ' ' LYS . . . . . . . . . . . . . 75.3 mmtt . . . . . 0 C--N 1.322 -0.616 0 CA-C-N 115.783 -0.644 . . . . 1.69 109.557 178.082 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 607' ' ' ASN . . . . . . . . . . . . . 36.0 t30 . . . . . 0 C--O 1.233 0.218 0 CA-C-O 121.198 0.523 . . . . 1.33 111.588 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 608' ' ' VAL . . . . . 0.572 HG11 ' HB ' ' A' ' 547' ' ' VAL . 64.8 t -86.83 -24.28 6.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 115.572 -0.74 . . . . 0.3 111.215 -177.347 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 609' ' ' ALA . . . . . . . . . . . . . . . -61.26 -34.73 75.64 Favored 'General case' 0 C--O 1.238 0.498 0 CA-C-O 121.505 0.669 . . . . 0.44 110.677 177.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 610' ' ' ALA . . . . . . . . . . . . . . . -61.02 -32.3 71.9 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.43 -0.805 . . . . 0.4 110.187 175.571 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 611' ' ' ILE . . . . . 0.493 ' O ' HG13 ' A' ' 615' ' ' ILE . 71.0 mt -70.62 -32.04 48.2 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-N 115.627 -0.715 . . . . 0.25 109.807 -178.033 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 612' ' ' ILE . . . . . 0.493 HG12 HD22 ' A' ' 542' ' ' LEU . 44.3 mt -60.84 -44.3 97.35 Favored 'Isoleucine or valine' 0 C--O 1.234 0.263 0 CA-C-O 121.221 0.534 . . . . 0.31 109.618 175.138 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 613' ' ' GLN . . . . . . . . . . . . . 74.3 mt-30 -64.76 -36.93 85.89 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.371 -0.832 . . . . 2.31 110.178 178.543 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 614' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -65.17 -39.0 92.33 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.187 -0.915 . . . . 1.95 111.291 178.717 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 615' ' ' ILE . . . . . 0.586 HD11 ' HA ' ' A' ' 539' ' ' ASN . 85.2 mt -63.3 -49.06 84.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.747 0.308 . . . . 0.35 110.939 178.239 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 616' ' ' HIS . . . . . . . . . . . . . 92.4 m-70 -67.31 -27.18 66.95 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.345 -0.389 . . . . 1.26 110.879 -178.267 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 617' ' ' SER . . . . . . . . . . . . . 28.8 t . . . . . 0 C--N 1.325 -0.49 0 CA-C-N 116.089 -0.505 . . . . 1.18 111.161 177.82 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 520' ' ' ARG . . . . . . . . . . . . . 11.9 mtm-85 . . . . . 0 N--CA 1.452 -0.347 0 CA-C-O 121.16 0.505 . . . . 2.22 110.842 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 521' ' ' VAL . . . . . 0.693 HG13 HD21 ' A' ' 599' ' ' LEU . 71.3 t -118.99 122.72 70.03 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.791 0 CA-C-N 115.513 -0.767 . . . . 0.32 110.67 168.407 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 522' ' ' VAL . . . . . 0.496 ' HB ' ' O ' ' A' ' 561' ' ' LEU . 23.0 t -120.27 122.28 67.89 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.837 0 N-CA-C 107.71 -1.219 . . . . 0.22 107.71 175.359 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 523' ' ' HIS . . . . . . . . . . . . . 58.4 t-80 -105.06 131.59 52.38 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-O 121.069 0.461 . . . . 0.44 110.383 -172.7 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 524' ' ' ILE . . . . . 0.468 HD11 HD22 ' A' ' 561' ' ' LEU . 31.2 mt -111.04 136.57 46.69 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.906 0 N-CA-C 108.709 -0.849 . . . . 0.19 108.709 178.541 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 525' ' ' CYS . . . . . 0.481 ' O ' ' HB2' ' A' ' 526' ' ' ASN . 0.8 OUTLIER -142.63 164.42 30.17 Favored 'General case' 0 C--N 1.311 -1.077 0 C-N-CA 120.747 -0.381 . . . . 1.17 111.518 -176.442 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 526' ' ' ASN . . . . . 0.481 ' HB2' ' O ' ' A' ' 525' ' ' CYS . 93.6 m-20 84.69 23.58 0.1 Allowed 'General case' 0 N--CA 1.472 0.632 0 O-C-N 124.75 1.281 . . . . 0.26 110.194 178.941 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 527' ' ' LEU . . . . . 0.473 ' HB3' ' SG ' ' A' ' 532' ' ' CYS . 87.1 mt -81.52 123.36 80.99 Favored Pre-proline 0 C--N 1.325 -0.48 0 N-CA-C 108.061 -1.088 . . . . 0.25 108.061 177.31 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 528' ' ' PRO . . . . . 0.408 ' HD3' ' HA ' ' A' ' 527' ' ' LEU . 12.8 Cg_exo -70.41 132.78 22.96 Favored 'Trans proline' 0 N--CA 1.459 -0.519 0 C-N-CA 121.069 1.18 . . . . 0.38 111.729 -177.905 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 529' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -65.39 130.12 42.18 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 109.168 -0.679 . . . . 1.6 109.168 177.154 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 530' ' ' GLY . . . . . . . . . . . . . . . 96.12 3.6 60.28 Favored Glycine 0 N--CA 1.444 -0.781 0 C-N-CA 120.202 -0.999 . . . . 0.48 111.145 -173.507 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 531' ' ' SER . . . . . . . . . . . . . 23.1 t -148.54 10.98 0.86 Allowed 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.363 0.601 . . . . 1.08 109.611 -179.14 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 532' ' ' CYS . . . . . 0.538 ' HB2' ' HD2' ' A' ' 554' ' ' LYS . 85.4 m -92.15 87.94 6.31 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 109.168 -0.679 . . . . 0.25 109.168 -179.6 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 533' ' ' THR . . . . . 0.481 ' O ' HG23 ' A' ' 537' ' ' VAL . 28.0 p -104.21 153.31 21.12 Favored 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 109.05 -0.722 . . . . 0.35 109.05 -179.657 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 534' ' ' GLU . . . . . 0.756 ' HA ' HD11 ' A' ' 552' ' ' LEU . 54.9 mt-10 -64.39 -33.1 75.09 Favored 'General case' 0 C--N 1.319 -0.736 0 N-CA-C 109.263 -0.643 . . . . 1.64 109.263 177.155 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 535' ' ' ASN . . . . . . . . . . . . . 4.9 m-20 -61.78 -49.31 76.9 Favored 'General case' 0 C--O 1.213 -0.852 0 CA-C-N 115.188 -0.914 . . . . 1.82 111.394 178.714 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 536' ' ' ASP . . . . . . . . . . . . . 61.4 m-20 -69.03 -46.1 68.78 Favored 'General case' 0 N--CA 1.475 0.783 0 CA-C-O 121.478 0.656 . . . . 0.61 110.991 -172.037 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 537' ' ' VAL . . . . . 0.481 HG23 ' O ' ' A' ' 533' ' ' THR . 36.3 t -59.86 -48.1 89.0 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 CA-C-N 114.802 -1.09 . . . . 0.15 109.999 -178.318 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 538' ' ' ILE . . . . . 0.55 HG23 HG21 ' A' ' 547' ' ' VAL . 54.7 mt -69.04 -33.79 60.58 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.66 0 CA-C-N 115.5 -0.773 . . . . 0.23 111.853 176.817 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 539' ' ' ASN . . . . . 0.425 ' HA ' HD11 ' A' ' 615' ' ' ILE . 10.5 m120 -57.96 -27.46 63.44 Favored 'General case' 0 CA--C 1.514 -0.407 0 N-CA-C 109.944 -0.391 . . . . 0.25 109.944 176.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 540' ' ' LEU . . . . . 0.492 HD11 HD12 ' A' ' 588' ' ' LEU . 90.8 mt -75.64 -41.12 54.99 Favored 'General case' 0 N--CA 1.444 -0.74 0 C-N-CA 120.859 -0.336 . . . . 0.27 110.135 174.474 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 541' ' ' GLY . . . . . 0.547 ' HA2' ' SD ' ' A' ' 572' ' ' MET . . . -68.37 -52.55 25.96 Favored Glycine 0 CA--C 1.525 0.667 0 N-CA-C 115.553 0.981 . . . . 0.19 115.553 -179.063 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 542' ' ' LEU . . . . . 0.475 ' HA ' ' O ' ' A' ' 545' ' ' GLY . 36.4 mt -55.64 -47.36 98.85 Favored Pre-proline 0 C--N 1.321 -0.633 0 N-CA-C 114.836 1.421 . . . . 0.2 114.836 -168.057 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 543' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_exo -58.5 -23.22 63.29 Favored 'Trans proline' 0 CA--C 1.535 0.558 0 C-N-CA 122.029 1.82 . . . . 0.23 113.726 -176.859 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 544' ' ' PHE . . . . . 0.414 ' HB2' ' HE2' ' A' ' 572' ' ' MET . 97.3 m-85 -102.15 -8.55 21.27 Favored 'General case' 0 C--O 1.234 0.267 0 O-C-N 121.867 -0.521 . . . . 0.33 111.342 178.445 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 545' ' ' GLY . . . . . 0.475 ' O ' ' HA ' ' A' ' 542' ' ' LEU . . . 169.66 152.89 8.17 Favored Glycine 0 N--CA 1.449 -0.484 0 C-N-CA 120.904 -0.665 . . . . 0.44 112.167 -178.837 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 546' ' ' LYS . . . . . . . . . . . . . 28.1 tptp -65.66 128.21 35.05 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.241 0.543 . . . . 2.07 111.235 -178.501 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 547' ' ' VAL . . . . . 0.608 ' HB ' HG11 ' A' ' 608' ' ' VAL . 70.0 t -87.69 116.83 30.48 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.684 0 CA-C-N 115.156 -0.929 . . . . 0.2 110.184 177.18 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 548' ' ' THR . . . . . . . . . . . . . 25.0 p -99.71 -34.36 10.22 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.294 -0.412 . . . . 0.31 112.031 179.015 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 549' ' ' ASN . . . . . 0.416 ' HB2' ' CB ' ' A' ' 562' ' ' GLU . 16.6 m120 -142.39 151.91 42.32 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.906 0.384 . . . . 1.26 110.202 -178.81 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 550' ' ' TYR . . . . . 0.524 ' CG ' HD11 ' A' ' 538' ' ' ILE . 3.1 p90 -160.34 151.09 18.71 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.956 -0.566 . . . . 0.31 109.773 -178.321 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 551' ' ' ILE . . . . . 0.455 ' HB ' ' HB2' ' A' ' 560' ' ' PHE . 33.1 mt -143.42 121.51 6.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 N-CA-C 108.138 -1.06 . . . . 0.22 108.138 -178.035 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 552' ' ' LEU . . . . . 0.756 HD11 ' HA ' ' A' ' 534' ' ' GLU . 21.2 mt -111.67 124.47 52.38 Favored 'General case' 0 C--N 1.32 -0.712 0 C-N-CA 119.794 -0.762 . . . . 0.43 111.617 -176.848 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 553' ' ' MET . . . . . . . . . . . . . 4.2 mpp? -112.09 83.73 1.84 Allowed 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 109.018 -0.734 . . . . 1.03 109.018 174.587 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 554' ' ' LYS . . . . . 0.538 ' HD2' ' HB2' ' A' ' 532' ' ' CYS . 4.6 mmtp -53.11 -28.41 25.37 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.393 -0.821 . . . . 1.03 112.201 175.423 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 555' ' ' SER . . . . . . . . . . . . . 71.0 p -69.32 -38.93 78.47 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 111.833 0.308 . . . . 0.51 111.833 -173.463 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 556' ' ' THR . . . . . . . . . . . . . 40.6 p -105.55 7.04 32.73 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 112.419 0.525 . . . . 0.45 112.419 -175.301 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 557' ' ' ASN . . . . . . . . . . . . . 2.6 m-20 59.16 39.12 23.32 Favored 'General case' 0 N--CA 1.468 0.447 0 CA-C-O 121.562 0.696 . . . . 1.28 110.392 -177.57 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 558' ' ' GLN . . . . . . . . . . . . . 23.7 mt-30 -137.63 154.44 49.73 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.185 -0.916 . . . . 0.84 110.056 -174.781 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 559' ' ' ALA . . . . . . . . . . . . . . . -157.27 164.83 37.25 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.3 0.572 . . . . 0.16 111.982 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 560' ' ' PHE . . . . . 0.455 ' HB2' ' HB ' ' A' ' 551' ' ' ILE . 94.6 m-85 -121.18 145.66 47.6 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.281 -0.872 . . . . 0.35 110.609 176.697 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 561' ' ' LEU . . . . . 0.496 ' O ' ' HB ' ' A' ' 522' ' ' VAL . 60.5 tp -138.76 118.93 13.5 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.19 -0.459 . . . . 0.2 110.359 179.796 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 562' ' ' GLU . . . . . 0.416 ' CB ' ' HB2' ' A' ' 549' ' ' ASN . 0.1 OUTLIER -101.99 136.01 42.57 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.261 0.553 . . . . 2.09 109.842 176.471 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 563' ' ' MET . . . . . 0.558 ' SD ' ' HA ' ' A' ' 569' ' ' ALA . 28.2 mtt -122.8 141.26 52.03 Favored 'General case' 0 C--N 1.314 -0.971 0 CA-C-N 115.302 -0.863 . . . . 0.39 108.743 -172.24 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 564' ' ' ALA . . . . . . . . . . . . . . . -66.62 -16.29 64.08 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 112.348 0.499 . . . . 0.5 112.348 -168.644 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 565' ' ' TYR . . . . . 0.472 ' CB ' ' HG2' ' A' ' 567' ' ' GLU . 93.9 m-85 -138.57 142.2 39.23 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.273 -0.421 . . . . 1.15 110.037 -179.121 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 566' ' ' THR . . . . . . . . . . . . . 13.5 t -62.55 -27.27 69.06 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.556 -0.747 . . . . 0.57 110.437 179.278 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 567' ' ' GLU . . . . . 0.548 ' HA ' HE21 ' A' ' 570' ' ' GLN . 12.1 pt-20 -55.91 -33.72 64.91 Favored 'General case' 0 C--N 1.333 -0.122 0 CA-C-N 115.628 -0.715 . . . . 0.89 110.834 175.905 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 568' ' ' ALA . . . . . 0.67 ' O ' ' HG3' ' A' ' 572' ' ' MET . . . -73.49 -41.58 62.93 Favored 'General case' 0 N--CA 1.447 -0.579 0 CA-C-N 115.866 -0.606 . . . . 0.26 110.309 -174.826 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 569' ' ' ALA . . . . . 0.558 ' HA ' ' SD ' ' A' ' 563' ' ' MET . . . -64.85 -46.54 81.44 Favored 'General case' 0 N--CA 1.451 -0.402 0 CA-C-N 116.11 -0.496 . . . . 0.24 111.244 -175.173 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 570' ' ' GLN . . . . . 0.548 HE21 ' HA ' ' A' ' 567' ' ' GLU . 26.8 pt20 -69.67 -36.42 76.01 Favored 'General case' 0 C--N 1.326 -0.451 0 C-N-CA 120.714 -0.394 . . . . 1.24 110.784 179.918 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 571' ' ' ALA . . . . . . . . . . . . . . . -63.48 -45.67 89.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.567 -0.288 . . . . 0.31 111.225 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 572' ' ' MET . . . . . 0.67 ' HG3' ' O ' ' A' ' 568' ' ' ALA . 27.0 mtt -67.01 -45.0 78.88 Favored 'General case' 0 CA--C 1.516 -0.33 0 CA-C-N 116.537 -0.301 . . . . 0.47 110.989 -178.335 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 573' ' ' VAL . . . . . 0.555 ' O ' ' HG2' ' A' ' 577' ' ' GLN . 93.4 t -58.74 -47.6 88.58 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 C-N-CA 120.793 -0.363 . . . . 0.34 110.221 -179.412 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 574' ' ' GLN . . . . . . . . . . . . . 79.0 mt-30 -63.39 -37.45 87.33 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-O 120.906 0.384 . . . . 2.09 110.959 179.278 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 575' ' ' TYR . . . . . . . . . . . . . 86.3 t80 -68.25 -53.53 23.95 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.268 -0.423 . . . . 0.48 111.113 -179.456 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 576' ' ' TYR . . . . . 0.506 ' HA ' ' O ' ' A' ' 579' ' ' LYS . 80.5 m-85 -73.14 -13.12 61.12 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 112.648 0.61 . . . . 0.36 112.648 -176.527 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 577' ' ' GLN . . . . . 0.555 ' HG2' ' O ' ' A' ' 573' ' ' VAL . 11.6 mm-40 -71.37 -41.98 69.01 Favored 'General case' 0 C--N 1.327 -0.411 0 C-N-CA 120.616 -0.433 . . . . 1.89 110.203 171.165 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 578' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -88.18 -38.97 14.87 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.36 -0.382 . . . . 2.14 111.03 179.905 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 579' ' ' LYS . . . . . 0.506 ' O ' ' HA ' ' A' ' 576' ' ' TYR . 28.0 mtpp -128.95 92.55 39.48 Favored Pre-proline 0 C--N 1.324 -0.501 0 N-CA-C 109.878 -0.416 . . . . 2.46 109.878 176.615 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 580' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo -70.1 160.01 51.1 Favored 'Trans proline' 0 C--O 1.235 0.343 0 C-N-CA 122.292 1.994 . . . . 0.37 112.014 -179.549 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 581' ' ' ALA . . . . . 0.452 ' O ' ' HG ' ' A' ' 588' ' ' LEU . . . -91.51 132.87 35.98 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 109.765 -0.458 . . . . 0.27 109.765 179.549 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 582' ' ' ILE . . . . . . . . . . . . . 34.0 mt -103.45 120.18 53.07 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.752 0 CA-C-O 121.061 0.458 . . . . 0.51 111.343 -175.155 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 583' ' ' ILE . . . . . 0.402 ' CG1' HD11 ' A' ' 588' ' ' LEU . 27.3 mm -128.27 115.09 36.9 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 CA-C-N 115.595 -0.729 . . . . 0.51 109.682 174.528 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 584' ' ' ASN . . . . . . . . . . . . . 4.4 m-20 58.97 33.46 23.04 Favored 'General case' 0 N--CA 1.465 0.316 0 CA-C-O 121.608 0.718 . . . . 1.1 110.45 178.69 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 585' ' ' GLY . . . . . . . . . . . . . . . 85.12 -1.74 88.59 Favored Glycine 0 N--CA 1.445 -0.741 0 CA-C-N 115.073 -0.967 . . . . 0.44 113.707 177.472 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 586' ' ' GLU . . . . . . . . . . . . . 25.9 mt-10 -104.23 127.55 51.87 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 117.497 0.649 . . . . 1.79 111.11 -178.724 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 587' ' ' LYS . . . . . . . . . . . . . 30.0 mmtp -76.52 118.08 18.83 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.117 -0.947 . . . . 1.67 110.928 179.141 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 588' ' ' LEU . . . . . 0.492 HD12 HD11 ' A' ' 540' ' ' LEU . 44.2 mt -81.38 139.82 35.08 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.954 -0.566 . . . . 0.24 111.067 -177.004 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 589' ' ' LEU . . . . . . . . . . . . . 61.3 tp -113.03 113.62 25.71 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.898 -0.592 . . . . 0.38 110.976 -179.573 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 590' ' ' ILE . . . . . 0.443 HD12 ' CE2' ' A' ' 576' ' ' TYR . 24.1 mt -106.08 118.69 54.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 N-CA-C 110.041 -0.355 . . . . 0.26 110.041 175.055 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 591' ' ' ARG . . . . . . . . . . . . . 68.7 mtp180 -145.4 166.03 26.78 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-O 120.757 0.313 . . . . 2.62 110.608 -178.227 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 592' ' ' MET . . . . . . . . . . . . . 61.9 mtt -82.53 142.09 32.11 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.457 -0.338 . . . . 0.34 110.788 -177.191 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 593' ' ' SER . . . . . . . . . . . . . 47.6 t -86.58 137.52 32.43 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.538 0.685 . . . . 1.37 111.887 -174.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 594' ' ' THR . . . . . . . . . . . . . 17.0 p -90.95 -12.67 35.28 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 114.697 -1.138 . . . . 0.38 112.206 179.257 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 595' ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 -101.07 -30.95 11.31 Favored 'General case' 0 C--N 1.332 -0.189 0 N-CA-C 112.384 0.513 . . . . 2.75 112.384 -170.838 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 596' ' ' TYR . . . . . 0.452 ' HB3' HG21 ' A' ' 521' ' ' VAL . 47.8 m-85 -118.43 144.66 45.79 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 121.185 0.517 . . . . 0.65 111.614 -176.848 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 597' ' ' LYS . . . . . 0.607 ' N ' ' HD2' ' A' ' 597' ' ' LYS . 6.4 mptt -109.82 -9.94 14.79 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.293 -0.867 . . . . 2.18 110.271 176.315 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 598' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -144.67 150.22 36.98 Favored 'General case' 0 N--CA 1.45 -0.428 0 CA-C-N 116.36 -0.382 . . . . 0.95 110.832 -179.865 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 599' ' ' LEU . . . . . 0.693 HD21 HG13 ' A' ' 521' ' ' VAL . 47.7 mt -111.82 121.4 44.97 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.581 -0.736 . . . . 0.45 110.769 174.536 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 600' ' ' GLN . . . . . . . . . . . . . 27.7 tt0 -113.54 121.98 45.87 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.59 -0.732 . . . . 1.52 110.342 -179.832 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 601' ' ' LEU . . . . . . . . . . . . . 78.5 mt -75.21 90.13 2.56 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.889 0.376 . . . . 0.46 111.245 -179.203 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 602' ' ' LYS . . . . . . . . . . . . . 96.8 mttt -65.09 -35.25 80.55 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 108.856 -0.794 . . . . 1.73 108.856 171.672 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 603' ' ' LYS . . . . . . . . . . . . . 75.3 mmtt . . . . . 0 C--N 1.322 -0.62 0 CA-C-N 114.873 -1.058 . . . . 1.69 108.472 173.73 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 607' ' ' ASN . . . . . . . . . . . . . 33.5 t30 . . . . . 0 C--O 1.232 0.176 0 CA-C-O 121.239 0.542 . . . . 1.33 111.523 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 608' ' ' VAL . . . . . 0.608 HG11 ' HB ' ' A' ' 547' ' ' VAL . 46.2 t -85.59 -20.23 8.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-N 115.644 -0.707 . . . . 0.3 110.914 -177.476 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 609' ' ' ALA . . . . . . . . . . . . . . . -64.5 -34.81 79.09 Favored 'General case' 0 C--O 1.237 0.447 0 CA-C-O 121.533 0.682 . . . . 0.44 110.665 177.669 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 610' ' ' ALA . . . . . . . . . . . . . . . -64.88 -27.74 69.07 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.561 -0.745 . . . . 0.4 110.095 177.367 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 611' ' ' ILE . . . . . 0.459 ' CD1' HD12 ' A' ' 538' ' ' ILE . 74.4 mt -71.68 -29.4 34.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 115.725 -0.671 . . . . 0.25 109.779 177.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 612' ' ' ILE . . . . . . . . . . . . . 61.4 mt -60.74 -44.1 96.57 Favored 'Isoleucine or valine' 0 C--O 1.234 0.26 0 N-CA-C 109.554 -0.535 . . . . 0.31 109.554 173.012 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 613' ' ' GLN . . . . . . . . . . . . . 30.8 mm-40 -66.5 -30.64 71.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.344 0.592 . . . . 2.31 109.858 176.757 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 614' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -66.06 -39.43 90.09 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 114.995 -1.002 . . . . 1.95 110.708 -179.377 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 615' ' ' ILE . . . . . 0.428 ' CD1' ' HB2' ' A' ' 542' ' ' LEU . 87.9 mt -64.93 -42.97 96.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.455 . . . . 0.35 110.429 176.505 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 616' ' ' HIS . . . . . . . . . . . . . 22.4 m-70 -66.38 -27.04 67.56 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.145 -0.48 . . . . 1.26 111.278 178.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 617' ' ' SER . . . . . . . . . . . . . 46.6 t . . . . . 0 C--N 1.329 -0.296 0 CA-C-O 121.199 0.523 . . . . 1.18 109.91 175.391 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 520' ' ' ARG . . . . . . . . . . . . . 50.0 mtm-85 . . . . . 0 N--CA 1.454 -0.258 0 CA-C-O 121.228 0.537 . . . . 2.22 111.243 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 521' ' ' VAL . . . . . 0.814 HG13 HD21 ' A' ' 599' ' ' LEU . 95.1 t -117.01 121.44 67.8 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.722 0 CA-C-N 115.225 -0.898 . . . . 0.32 110.648 171.252 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 522' ' ' VAL . . . . . 0.454 ' HB ' ' O ' ' A' ' 561' ' ' LEU . 24.2 t -121.63 122.59 67.43 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 N-CA-C 108.565 -0.902 . . . . 0.22 108.565 178.092 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 523' ' ' HIS . . . . . 0.439 ' HB2' ' OG ' ' A' ' 593' ' ' SER . 59.3 t-80 -105.69 135.4 47.18 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.097 0.475 . . . . 0.44 110.578 -175.147 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 524' ' ' ILE . . . . . 0.533 HD11 HD22 ' A' ' 561' ' ' LEU . 33.1 mt -111.2 138.85 37.83 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.801 0 N-CA-C 108.791 -0.818 . . . . 0.19 108.791 177.067 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 525' ' ' CYS . . . . . 0.459 ' O ' ' HB2' ' A' ' 526' ' ' ASN . 0.0 OUTLIER -132.65 159.06 40.68 Favored 'General case' 0 C--N 1.317 -0.843 0 C-N-CA 120.796 -0.362 . . . . 1.17 111.241 -171.922 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 526' ' ' ASN . . . . . 0.459 ' HB2' ' O ' ' A' ' 525' ' ' CYS . 87.4 m-20 86.95 30.67 0.03 OUTLIER 'General case' 0 N--CA 1.471 0.603 0 O-C-N 124.764 1.29 . . . . 0.26 110.924 173.784 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 527' ' ' LEU . . . . . 0.427 ' HA ' ' HD3' ' A' ' 528' ' ' PRO . 80.2 mt -92.86 124.66 57.89 Favored Pre-proline 0 C--N 1.323 -0.583 0 CA-C-N 115.561 -0.745 . . . . 0.25 109.559 177.379 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 528' ' ' PRO . . . . . 0.427 ' HD3' ' HA ' ' A' ' 527' ' ' LEU . 5.7 Cg_exo -74.23 133.68 18.15 Favored 'Trans proline' 0 N--CA 1.458 -0.606 0 C-N-CA 121.695 1.597 . . . . 0.38 111.379 -179.426 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 529' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -66.69 133.23 49.78 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 109.541 -0.54 . . . . 1.6 109.541 177.186 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 530' ' ' GLY . . . . . . . . . . . . . . . 90.42 3.54 71.9 Favored Glycine 0 N--CA 1.446 -0.645 0 N-CA-C 110.33 -1.108 . . . . 0.48 110.33 -171.113 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 531' ' ' SER . . . . . . . . . . . . . 55.5 m -149.55 9.02 0.7 Allowed 'General case' 0 N--CA 1.45 -0.457 0 CA-C-N 115.005 -0.598 . . . . 1.08 110.202 -177.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 532' ' ' CYS . . . . . 0.42 ' SG ' ' HB3' ' A' ' 527' ' ' LEU . 59.4 m -89.71 88.03 7.23 Favored 'General case' 0 CA--C 1.51 -0.571 0 N-CA-C 108.133 -1.062 . . . . 0.25 108.133 175.88 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 533' ' ' THR . . . . . 0.449 ' O ' HG23 ' A' ' 537' ' ' VAL . 30.3 p -96.11 150.36 20.59 Favored 'General case' 0 N--CA 1.441 -0.903 0 C-N-CA 119.728 -0.789 . . . . 0.35 109.225 -177.03 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 534' ' ' GLU . . . . . 0.46 ' N ' HD11 ' A' ' 552' ' ' LEU . 29.5 mt-10 -67.25 -33.59 75.64 Favored 'General case' 0 C--N 1.317 -0.818 0 N-CA-C 108.771 -0.826 . . . . 1.64 108.771 177.144 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 535' ' ' ASN . . . . . . . . . . . . . 6.0 m120 -64.47 -49.51 71.11 Favored 'General case' 0 C--O 1.213 -0.817 0 CA-C-N 114.67 -1.15 . . . . 1.82 111.862 -178.507 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 536' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -68.65 -44.59 73.79 Favored 'General case' 0 N--CA 1.474 0.75 0 CA-C-N 118.642 0.655 . . . . 0.61 111.206 -172.637 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 537' ' ' VAL . . . . . 0.462 HG21 HD21 ' A' ' 552' ' ' LEU . 40.4 t -61.11 -48.12 90.47 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.765 0 CA-C-N 114.764 -1.107 . . . . 0.15 110.336 -178.282 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 538' ' ' ILE . . . . . 0.579 HD11 ' CG ' ' A' ' 550' ' ' TYR . 65.8 mt -68.89 -34.33 63.8 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 CA-C-N 115.795 -0.638 . . . . 0.23 111.567 176.314 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 539' ' ' ASN . . . . . 0.502 ' HA ' HD11 ' A' ' 615' ' ' ILE . 10.2 m120 -57.71 -28.54 63.93 Favored 'General case' 0 CA--C 1.514 -0.413 0 N-CA-C 110.411 -0.218 . . . . 0.25 110.411 178.622 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 540' ' ' LEU . . . . . 0.482 HD11 HD12 ' A' ' 588' ' ' LEU . 76.4 mt -76.99 -41.8 41.39 Favored 'General case' 0 C--N 1.324 -0.524 0 C-N-CA 120.797 -0.361 . . . . 0.27 110.399 174.028 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 541' ' ' GLY . . . . . 0.496 ' CA ' HD21 ' A' ' 561' ' ' LEU . . . -62.36 -52.47 49.08 Favored Glycine 0 CA--C 1.522 0.527 0 N-CA-C 115.47 0.948 . . . . 0.19 115.47 -179.189 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 542' ' ' LEU . . . . . 0.517 ' HB2' ' CD1' ' A' ' 615' ' ' ILE . 57.4 mt -57.05 -44.32 99.72 Favored Pre-proline 0 C--N 1.318 -0.766 0 N-CA-C 114.782 1.401 . . . . 0.2 114.782 -170.148 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 543' ' ' PRO . . . . . 0.431 ' HD2' ' O ' ' A' ' 540' ' ' LEU . 51.0 Cg_exo -58.11 -26.44 75.71 Favored 'Trans proline' 0 C--N 1.349 0.604 0 C-N-CA 122.105 1.87 . . . . 0.23 113.934 -177.143 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 544' ' ' PHE . . . . . 0.43 ' HB2' ' HE2' ' A' ' 572' ' ' MET . 95.7 m-85 -103.95 -6.66 21.05 Favored 'General case' 0 C--O 1.235 0.31 0 O-C-N 121.985 -0.447 . . . . 0.33 111.577 178.926 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 545' ' ' GLY . . . . . 0.487 ' O ' ' HA ' ' A' ' 542' ' ' LEU . . . 169.51 151.84 7.54 Favored Glycine 0 C--O 1.227 -0.312 0 C-N-CA 121.004 -0.617 . . . . 0.44 111.999 -179.401 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 546' ' ' LYS . . . . . . . . . . . . . 87.4 tttt -66.37 131.16 45.46 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.039 0.447 . . . . 2.07 111.08 -177.76 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 547' ' ' VAL . . . . . 0.612 ' HB ' HG11 ' A' ' 608' ' ' VAL . 69.7 t -87.88 116.12 29.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-N 115.595 -0.729 . . . . 0.2 110.784 178.174 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 548' ' ' THR . . . . . . . . . . . . . 23.1 p -93.84 -35.0 12.93 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.105 -0.498 . . . . 0.31 111.839 179.032 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 549' ' ' ASN . . . . . 0.489 ' HB2' ' CB ' ' A' ' 562' ' ' GLU . 90.3 m-20 -142.57 160.4 40.37 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.188 0.518 . . . . 1.26 110.767 178.539 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 550' ' ' TYR . . . . . 0.579 ' CG ' HD11 ' A' ' 538' ' ' ILE . 2.9 p90 -161.22 150.99 16.99 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.22 -0.9 . . . . 0.31 109.158 179.802 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 551' ' ' ILE . . . . . 0.467 ' HB ' ' HB2' ' A' ' 560' ' ' PHE . 77.1 mt -144.39 123.95 7.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 N-CA-C 108.396 -0.965 . . . . 0.22 108.396 -175.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 552' ' ' LEU . . . . . 0.462 HD21 HG21 ' A' ' 537' ' ' VAL . 31.5 mt -107.08 114.97 29.36 Favored 'General case' 0 C--N 1.316 -0.877 0 C-N-CA 120.198 -0.601 . . . . 0.43 110.827 -177.561 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 553' ' ' MET . . . . . 0.4 ' SD ' ' HE2' ' A' ' 560' ' ' PHE . 16.6 mtp -104.44 81.03 1.75 Allowed 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 108.366 -0.976 . . . . 1.03 108.366 -176.53 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 554' ' ' LYS . . . . . 0.404 ' HD2' ' HB2' ' A' ' 532' ' ' CYS . 14.1 mmtm -54.03 -29.24 42.98 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 114.703 -1.135 . . . . 1.03 112.533 177.188 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 555' ' ' SER . . . . . . . . . . . . . 65.4 p -69.16 -45.32 70.33 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.65 0.262 . . . . 0.51 111.671 -171.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 556' ' ' THR . . . . . 0.439 ' O ' ' HG3' ' A' ' 558' ' ' GLN . 44.1 p -99.83 6.83 45.32 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 112.352 0.501 . . . . 0.45 112.352 -176.169 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 557' ' ' ASN . . . . . . . . . . . . . 16.7 m120 60.18 42.26 15.65 Favored 'General case' 0 C--O 1.236 0.38 0 CA-C-O 121.522 0.677 . . . . 1.28 110.175 -176.735 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 558' ' ' GLN . . . . . 0.439 ' HG3' ' O ' ' A' ' 556' ' ' THR . 76.9 mt-30 -139.52 167.18 22.68 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.21 -0.904 . . . . 0.84 110.044 -175.143 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 559' ' ' ALA . . . . . . . . . . . . . . . -158.95 165.88 33.1 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.976 0.417 . . . . 0.16 111.531 177.577 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 560' ' ' PHE . . . . . 0.467 ' HB2' ' HB ' ' A' ' 551' ' ' ILE . 83.8 m-85 -119.54 151.0 39.33 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.172 -0.467 . . . . 0.35 111.269 175.401 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 561' ' ' LEU . . . . . 0.538 HD23 ' HE2' ' A' ' 563' ' ' MET . 54.4 tp -137.46 118.81 14.68 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.252 -0.885 . . . . 0.2 109.78 179.836 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 562' ' ' GLU . . . . . 0.549 ' HB2' HD12 ' A' ' 599' ' ' LEU . 28.6 tt0 -99.93 124.96 45.82 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.417 0.627 . . . . 2.09 110.216 178.624 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 563' ' ' MET . . . . . 0.588 ' SD ' ' HA ' ' A' ' 569' ' ' ALA . 26.9 mtt -111.23 146.66 36.56 Favored 'General case' 0 C--N 1.315 -0.898 0 CA-C-N 114.989 -1.005 . . . . 0.39 109.531 -175.595 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 564' ' ' ALA . . . . . . . . . . . . . . . -66.62 -22.81 66.11 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.792 -0.64 . . . . 0.5 112.554 -170.856 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 565' ' ' TYR . . . . . 0.461 ' HB3' ' HG2' ' A' ' 567' ' ' GLU . 83.1 m-85 -143.32 156.8 44.8 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.005 0.431 . . . . 1.15 110.748 -179.878 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 566' ' ' THR . . . . . . . . . . . . . 12.2 t -68.12 -27.21 66.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.512 -0.767 . . . . 0.57 110.576 -178.597 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 567' ' ' GLU . . . . . 0.461 ' HG2' ' HB3' ' A' ' 565' ' ' TYR . 9.3 pt-20 -55.93 -32.97 64.27 Favored 'General case' 0 N--CA 1.462 0.149 0 CA-C-N 115.861 -0.609 . . . . 0.89 110.986 176.612 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 568' ' ' ALA . . . . . 0.608 ' O ' ' HG3' ' A' ' 572' ' ' MET . . . -73.55 -43.99 58.54 Favored 'General case' 0 N--CA 1.45 -0.431 0 CA-C-N 115.608 -0.724 . . . . 0.26 110.938 -176.525 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 569' ' ' ALA . . . . . 0.588 ' HA ' ' SD ' ' A' ' 563' ' ' MET . . . -64.39 -45.66 86.7 Favored 'General case' 0 CA--C 1.518 -0.258 0 CA-C-N 116.136 -0.484 . . . . 0.24 111.316 -174.871 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 570' ' ' GLN . . . . . . . . . . . . . 12.7 pt20 -67.64 -36.17 80.27 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.242 -0.436 . . . . 1.24 110.747 -179.138 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 571' ' ' ALA . . . . . . . . . . . . . . . -64.4 -45.51 87.28 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.238 -0.437 . . . . 0.31 110.972 179.882 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 572' ' ' MET . . . . . 0.608 ' HG3' ' O ' ' A' ' 568' ' ' ALA . 28.3 mtt -68.95 -43.48 74.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.358 -0.383 . . . . 0.47 111.071 -177.657 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 573' ' ' VAL . . . . . 0.531 HG23 ' O ' ' A' ' 569' ' ' ALA . 87.8 t -59.09 -47.94 88.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 C-N-CA 120.943 -0.303 . . . . 0.34 110.46 -178.903 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 574' ' ' GLN . . . . . . . . . . . . . 23.0 mt-30 -66.73 -37.5 84.79 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.847 0.356 . . . . 2.09 111.029 179.666 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 575' ' ' TYR . . . . . . . . . . . . . 86.9 t80 -68.0 -53.17 27.96 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.282 -0.417 . . . . 0.48 111.109 -178.746 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 576' ' ' TYR . . . . . 0.482 ' CD2' HD12 ' A' ' 590' ' ' ILE . 84.2 m-85 -73.72 -12.64 60.78 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 113.055 0.761 . . . . 0.36 113.055 -176.646 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 577' ' ' GLN . . . . . 0.506 ' HG3' ' O ' ' A' ' 573' ' ' VAL . 25.2 mt-30 -78.98 -33.96 44.64 Favored 'General case' 0 C--N 1.323 -0.56 0 C-N-CA 120.314 -0.554 . . . . 1.89 110.242 172.654 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 578' ' ' GLU . . . . . . . . . . . . . 16.5 mm-40 -88.72 -38.87 14.39 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.798 0.332 . . . . 2.14 110.932 177.013 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 579' ' ' LYS . . . . . 0.428 ' O ' ' HA ' ' A' ' 576' ' ' TYR . 97.5 mttt -132.2 92.47 28.8 Favored Pre-proline 0 C--N 1.327 -0.388 0 N-CA-C 109.648 -0.501 . . . . 2.46 109.648 176.601 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 580' ' ' PRO . . . . . . . . . . . . . 57.5 Cg_endo -72.46 160.4 46.86 Favored 'Trans proline' 0 N--CA 1.462 -0.371 0 C-N-CA 122.661 2.241 . . . . 0.37 112.691 -177.17 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 581' ' ' ALA . . . . . . . . . . . . . . . -93.31 133.33 36.65 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.856 -0.611 . . . . 0.27 109.364 176.776 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 582' ' ' ILE . . . . . . . . . . . . . 55.8 mt -99.95 120.42 49.34 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.816 0 CA-C-O 120.819 0.343 . . . . 0.51 110.755 -176.019 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 583' ' ' ILE . . . . . 0.457 HG13 HD11 ' A' ' 588' ' ' LEU . 32.7 mm -123.11 111.59 30.32 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 116.12 -0.491 . . . . 0.51 109.68 176.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 584' ' ' ASN . . . . . . . . . . . . . 54.1 m-80 54.73 37.07 27.69 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-O 121.492 0.663 . . . . 1.1 110.583 -177.8 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 585' ' ' GLY . . . . . . . . . . . . . . . 84.59 2.63 88.77 Favored Glycine 0 N--CA 1.447 -0.614 0 CA-C-N 115.12 -0.946 . . . . 0.44 113.872 176.55 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 586' ' ' GLU . . . . . . . . . . . . . 33.6 mt-10 -111.29 126.96 55.45 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 117.375 0.587 . . . . 1.79 110.917 178.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 587' ' ' LYS . . . . . . . . . . . . . 95.0 mttt -73.83 126.16 29.78 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.447 -0.797 . . . . 1.67 111.384 179.631 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 588' ' ' LEU . . . . . 0.482 HD12 HD11 ' A' ' 540' ' ' LEU . 32.6 mt -80.67 141.27 35.08 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.065 0.459 . . . . 0.24 111.322 -179.843 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 589' ' ' LEU . . . . . . . . . . . . . 58.6 tp -112.54 111.21 21.88 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.594 -0.73 . . . . 0.38 110.352 176.905 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 590' ' ' ILE . . . . . 0.482 HD12 ' CD2' ' A' ' 576' ' ' TYR . 21.8 mt -102.61 120.04 51.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 N-CA-C 109.939 -0.393 . . . . 0.26 109.939 175.68 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 591' ' ' ARG . . . . . . . . . . . . . 76.4 mtt180 -147.5 165.63 29.71 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.996 0.427 . . . . 2.62 110.475 -177.78 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 592' ' ' MET . . . . . . . . . . . . . 62.9 mtt -82.32 136.98 34.92 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.902 -0.59 . . . . 0.34 110.561 -178.161 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 593' ' ' SER . . . . . 0.439 ' OG ' ' HB2' ' A' ' 523' ' ' HIS . 18.1 m -81.81 139.09 34.98 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.04 0.448 . . . . 1.37 111.528 -177.428 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 594' ' ' THR . . . . . . . . . . . . . 18.9 p -92.8 -13.51 29.08 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.123 -0.944 . . . . 0.38 113.028 -177.61 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 595' ' ' ARG . . . . . . . . . . . . . 68.5 mtt180 -103.14 -29.74 11.14 Favored 'General case' 0 N--CA 1.465 0.287 0 N-CA-C 113.149 0.796 . . . . 2.75 113.149 -170.927 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 596' ' ' TYR . . . . . . . . . . . . . 50.6 m-85 -117.69 146.98 43.35 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 112.471 0.545 . . . . 0.65 112.471 -175.781 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 597' ' ' LYS . . . . . 0.48 ' N ' ' HD2' ' A' ' 597' ' ' LYS . 0.5 OUTLIER -108.44 -12.7 14.98 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.37 -0.832 . . . . 2.18 111.611 178.701 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 598' ' ' GLU . . . . . . . . . . . . . 45.4 tt0 -146.37 149.45 33.8 Favored 'General case' 0 C--N 1.326 -0.441 0 C-N-CA 120.66 -0.416 . . . . 0.95 111.005 178.894 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 599' ' ' LEU . . . . . 0.814 HD21 HG13 ' A' ' 521' ' ' VAL . 72.8 mt -105.54 126.01 51.64 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.448 -0.796 . . . . 0.45 111.238 177.627 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 600' ' ' GLN . . . . . . . . . . . . . 28.5 tt0 -110.19 127.24 54.83 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.878 -0.601 . . . . 1.52 110.305 179.398 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 601' ' ' LEU . . . . . . . . . . . . . 68.4 mt -81.65 94.38 6.94 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.815 0.341 . . . . 0.46 110.817 -179.764 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 602' ' ' LYS . . . . . . . . . . . . . 96.6 mttt -76.31 -15.3 60.02 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.106 0.479 . . . . 1.73 110.56 176.45 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 603' ' ' LYS . . . . . . . . . . . . . 33.6 mmtp . . . . . 0 C--N 1.324 -0.511 0 CA-C-N 115.853 -0.612 . . . . 1.69 109.825 179.086 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 607' ' ' ASN . . . . . . . . . . . . . 30.3 t30 . . . . . 0 C--O 1.233 0.235 0 CA-C-O 121.266 0.555 . . . . 1.33 111.039 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 608' ' ' VAL . . . . . 0.612 HG11 ' HB ' ' A' ' 547' ' ' VAL . 92.5 t -89.12 -20.97 6.99 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.684 0 CA-C-N 115.275 -0.875 . . . . 0.3 110.868 -174.121 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 609' ' ' ALA . . . . . . . . . . . . . . . -63.67 -34.52 78.03 Favored 'General case' 0 C--O 1.239 0.503 0 CA-C-O 121.606 0.717 . . . . 0.44 110.027 174.175 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 610' ' ' ALA . . . . . . . . . . . . . . . -65.72 -27.27 68.2 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.431 -0.804 . . . . 0.4 110.017 175.72 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 611' ' ' ILE . . . . . 0.469 ' O ' ' HB3' ' A' ' 614' ' ' ASP . 75.0 mt -72.05 -29.44 32.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 115.792 -0.64 . . . . 0.25 109.904 177.915 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 612' ' ' ILE . . . . . . . . . . . . . 64.4 mt -61.19 -43.93 97.37 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.238 0 N-CA-C 109.519 -0.549 . . . . 0.31 109.519 171.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 613' ' ' GLN . . . . . . . . . . . . . 33.0 mm-40 -62.82 -32.89 74.18 Favored 'General case' 0 N--CA 1.463 0.194 0 CA-C-N 115.926 -0.579 . . . . 2.31 110.241 174.632 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 614' ' ' ASP . . . . . 0.469 ' HB3' ' O ' ' A' ' 611' ' ' ILE . 31.6 t70 -65.5 -44.97 85.36 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.071 -0.968 . . . . 1.95 110.43 179.604 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 615' ' ' ILE . . . . . 0.517 ' CD1' ' HB2' ' A' ' 542' ' ' LEU . 91.6 mt -62.67 -45.52 98.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 115.931 -0.577 . . . . 0.35 110.997 177.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 616' ' ' HIS . . . . . . . . . . . . . 19.6 m-70 -65.09 -32.73 74.57 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.077 -0.51 . . . . 1.26 111.246 -179.593 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 617' ' ' SER . . . . . . . . . . . . . 22.8 t . . . . . 0 N--CA 1.449 -0.476 0 CA-C-N 116.281 -0.418 . . . . 1.18 110.339 179.412 . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' A' A ' 520' ' ' ARG . . . . . 0.407 HH11 ' HD3' ' A' ' 520' ' ' ARG . 21.6 mtm-85 . . . . . 0 N--CA 1.451 -0.381 0 CA-C-O 121.158 0.504 . . . . 2.22 110.676 . . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 521' ' ' VAL . . . . . 0.667 HG13 HD21 ' A' ' 599' ' ' LEU . 65.4 t -120.29 126.0 74.8 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 115.636 -0.711 . . . . 0.32 110.772 168.268 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 522' ' ' VAL . . . . . 0.545 ' HB ' ' O ' ' A' ' 561' ' ' LEU . 21.9 t -119.37 121.5 66.64 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.796 0 N-CA-C 107.368 -1.345 . . . . 0.22 107.368 172.452 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 523' ' ' HIS . . . . . . . . . . . . . 39.9 t-80 -106.4 129.91 54.31 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 121.229 0.538 . . . . 0.44 110.884 -172.198 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 524' ' ' ILE . . . . . 0.464 HG23 HG12 ' A' ' 590' ' ' ILE . 32.3 mt -111.11 140.52 30.01 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.918 0 N-CA-C 108.692 -0.855 . . . . 0.19 108.692 179.149 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 525' ' ' CYS . . . . . 0.475 ' O ' ' HB2' ' A' ' 526' ' ' ASN . 4.0 p -140.39 162.75 34.57 Favored 'General case' 0 C--N 1.316 -0.889 0 C-N-CA 120.606 -0.438 . . . . 1.17 111.827 -175.814 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 526' ' ' ASN . . . . . 0.475 ' HB2' ' O ' ' A' ' 525' ' ' CYS . 95.3 m-20 87.62 28.2 0.03 OUTLIER 'General case' 0 N--CA 1.472 0.658 0 O-C-N 124.922 1.389 . . . . 0.26 110.651 177.732 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 527' ' ' LEU . . . . . 0.42 ' HA ' ' HD3' ' A' ' 528' ' ' PRO . 90.0 mt -84.03 125.14 73.47 Favored Pre-proline 0 C--N 1.321 -0.646 0 N-CA-C 108.348 -0.982 . . . . 0.25 108.348 177.118 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 528' ' ' PRO . . . . . 0.42 ' HD3' ' HA ' ' A' ' 527' ' ' LEU . 3.1 Cg_exo -73.5 134.43 20.54 Favored 'Trans proline' 0 N--CA 1.458 -0.6 0 C-N-CA 121.446 1.431 . . . . 0.38 111.678 -178.734 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 529' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -64.61 138.3 58.32 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.029 -0.532 . . . . 1.6 109.568 178.153 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 530' ' ' GLY . . . . . . . . . . . . . . . 85.35 4.72 85.88 Favored Glycine 0 N--CA 1.445 -0.705 0 C-N-CA 120.07 -1.062 . . . . 0.48 111.157 -173.811 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 531' ' ' SER . . . . . . . . . . . . . 50.6 m -150.69 10.22 0.63 Allowed 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.142 0.496 . . . . 1.08 110.292 -176.249 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 532' ' ' CYS . . . . . 0.558 ' HB2' ' HD2' ' A' ' 554' ' ' LYS . 66.6 m -89.77 88.93 7.55 Favored 'General case' 0 N--CA 1.451 -0.417 0 N-CA-C 108.639 -0.874 . . . . 0.25 108.639 178.448 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 533' ' ' THR . . . . . 0.531 ' O ' HG23 ' A' ' 537' ' ' VAL . 72.6 p -102.03 151.1 22.55 Favored 'General case' 0 N--CA 1.443 -0.796 0 N-CA-C 109.018 -0.734 . . . . 0.35 109.018 -178.118 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 534' ' ' GLU . . . . . 0.782 ' HA ' HD11 ' A' ' 552' ' ' LEU . 13.0 mp0 -65.73 -33.78 76.67 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-O 121.472 0.653 . . . . 1.64 109.283 177.838 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 535' ' ' ASN . . . . . . . . . . . . . 64.6 t30 -62.32 -49.3 76.16 Favored 'General case' 0 N--CA 1.447 -0.611 0 CA-C-N 114.599 -1.182 . . . . 1.82 110.911 -176.373 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 536' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -70.42 -42.97 70.91 Favored 'General case' 0 N--CA 1.472 0.635 0 CA-C-O 121.109 0.48 . . . . 0.61 111.808 -173.25 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 537' ' ' VAL . . . . . 0.531 HG23 ' O ' ' A' ' 533' ' ' THR . 34.9 t -59.89 -47.61 90.9 Favored 'Isoleucine or valine' 0 C--O 1.243 0.736 0 CA-C-O 122.14 0.972 . . . . 0.15 109.694 -179.451 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 538' ' ' ILE . . . . . 0.602 HD11 ' CG ' ' A' ' 550' ' ' TYR . 68.0 mt -68.3 -33.1 58.58 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.772 0 CA-C-N 115.056 -0.974 . . . . 0.23 111.323 175.855 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 539' ' ' ASN . . . . . 0.494 ' HA ' HD11 ' A' ' 615' ' ' ILE . 10.2 m120 -57.46 -28.19 63.13 Favored 'General case' 0 CA--C 1.513 -0.446 0 N-CA-C 110.366 -0.235 . . . . 0.25 110.366 177.279 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 540' ' ' LEU . . . . . 0.555 HD11 HD12 ' A' ' 588' ' ' LEU . 74.0 mt -76.45 -41.52 47.08 Favored 'General case' 0 C--N 1.323 -0.567 0 C-N-CA 120.668 -0.413 . . . . 0.27 110.326 174.421 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 541' ' ' GLY . . . . . 0.502 ' HA3' HD21 ' A' ' 561' ' ' LEU . . . -65.95 -52.63 35.98 Favored Glycine 0 CA--C 1.524 0.651 0 N-CA-C 115.533 0.973 . . . . 0.19 115.533 -179.122 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 542' ' ' LEU . . . . . 0.49 HD23 ' H ' ' A' ' 547' ' ' VAL . 48.4 mt -55.63 -47.05 99.53 Favored Pre-proline 0 C--N 1.32 -0.678 0 N-CA-C 115.007 1.484 . . . . 0.2 115.007 -168.711 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 543' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_exo -58.08 -23.79 62.72 Favored 'Trans proline' 0 C--N 1.348 0.529 0 C-N-CA 122.25 1.966 . . . . 0.23 114.303 -176.058 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 544' ' ' PHE . . . . . . . . . . . . . 99.6 m-85 -101.63 -16.57 16.68 Favored 'General case' 0 C--O 1.233 0.207 0 O-C-N 121.916 -0.49 . . . . 0.33 111.131 177.744 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 545' ' ' GLY . . . . . 0.478 ' O ' ' HA ' ' A' ' 542' ' ' LEU . . . -179.47 152.6 11.19 Favored Glycine 0 N--CA 1.448 -0.507 0 C-N-CA 120.723 -0.751 . . . . 0.44 112.004 -179.22 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 546' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -66.18 129.59 40.32 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 120.989 0.423 . . . . 2.07 110.79 -178.481 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 547' ' ' VAL . . . . . 0.617 ' HB ' HG11 ' A' ' 608' ' ' VAL . 72.8 t -86.08 114.66 26.08 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 CA-C-N 115.63 -0.714 . . . . 0.2 110.117 177.752 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 548' ' ' THR . . . . . . . . . . . . . 25.5 p -92.06 -36.33 13.42 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.14 -0.482 . . . . 0.31 111.363 -179.44 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 549' ' ' ASN . . . . . . . . . . . . . 21.1 m120 -145.58 156.77 43.9 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.96 -0.564 . . . . 1.26 110.368 178.642 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 550' ' ' TYR . . . . . 0.602 ' CG ' HD11 ' A' ' 538' ' ' ILE . 3.9 p90 -157.3 150.99 24.21 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 116.109 -0.496 . . . . 0.31 109.708 -179.038 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 551' ' ' ILE . . . . . 0.449 ' HB ' ' HB2' ' A' ' 560' ' ' PHE . 52.0 mt -144.05 123.81 8.14 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 N-CA-C 108.04 -1.096 . . . . 0.22 108.04 -179.857 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 552' ' ' LEU . . . . . 0.782 HD11 ' HA ' ' A' ' 534' ' ' GLU . 21.0 mt -108.06 130.47 55.08 Favored 'General case' 0 C--N 1.313 -1.003 0 C-N-CA 119.074 -1.05 . . . . 0.43 110.322 179.988 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 553' ' ' MET . . . . . . . . . . . . . 65.7 mtm -109.19 83.31 1.73 Allowed 'General case' 0 C--N 1.318 -0.78 0 N-CA-C 108.695 -0.854 . . . . 1.03 108.695 179.179 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 554' ' ' LYS . . . . . 0.558 ' HD2' ' HB2' ' A' ' 532' ' ' CYS . 20.8 mmtp -53.17 -28.07 24.52 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 114.703 -1.135 . . . . 1.03 112.174 175.948 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 555' ' ' SER . . . . . . . . . . . . . 64.1 p -69.16 -44.09 72.96 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.71 0.29 . . . . 0.51 111.505 -175.869 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 556' ' ' THR . . . . . . . . . . . . . 41.8 p -98.75 4.13 47.69 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 112.372 0.508 . . . . 0.45 112.372 -174.895 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 557' ' ' ASN . . . . . . . . . . . . . 40.2 m-80 58.72 37.86 25.04 Favored 'General case' 0 N--CA 1.467 0.419 0 CA-C-O 121.585 0.707 . . . . 1.28 110.416 -176.657 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 558' ' ' GLN . . . . . . . . . . . . . 77.8 mt-30 -143.65 167.19 22.84 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.224 -0.898 . . . . 0.84 109.193 -176.56 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 559' ' ' ALA . . . . . . . . . . . . . . . -157.77 166.53 32.5 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 112.601 0.593 . . . . 0.16 112.601 -175.475 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 560' ' ' PHE . . . . . 0.449 ' HB2' ' HB ' ' A' ' 551' ' ' ILE . 89.7 m-85 -120.32 143.31 48.44 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.278 -0.874 . . . . 0.35 110.443 177.624 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 561' ' ' LEU . . . . . 0.545 ' O ' ' HB ' ' A' ' 522' ' ' VAL . 61.2 tp -135.83 119.74 17.43 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.999 -0.546 . . . . 0.2 110.34 -178.692 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 562' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -102.51 136.38 42.44 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.152 0.501 . . . . 2.09 110.204 177.317 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 563' ' ' MET . . . . . 0.63 ' SD ' ' HA ' ' A' ' 569' ' ' ALA . 34.9 mtt -120.1 163.43 17.69 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.52 -0.764 . . . . 0.39 109.801 -172.424 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 564' ' ' ALA . . . . . . . . . . . . . . . -62.95 -43.24 99.33 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 118.203 0.456 . . . . 0.5 111.698 -172.6 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 565' ' ' TYR . . . . . . . . . . . . . 89.1 m-85 -135.45 161.99 33.9 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 120.975 0.417 . . . . 1.15 111.148 -179.347 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 566' ' ' THR . . . . . . . . . . . . . 14.1 t -64.7 -27.95 69.26 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-N 115.634 -0.712 . . . . 0.57 110.8 -178.499 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 567' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -58.84 -32.62 69.58 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-N 116.06 -0.518 . . . . 0.89 111.089 178.619 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 568' ' ' ALA . . . . . 0.672 ' O ' ' HG3' ' A' ' 572' ' ' MET . . . -73.79 -41.53 62.25 Favored 'General case' 0 N--CA 1.45 -0.467 0 CA-C-N 116.115 -0.493 . . . . 0.26 110.056 -178.506 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 569' ' ' ALA . . . . . 0.63 ' HA ' ' SD ' ' A' ' 563' ' ' MET . . . -63.32 -46.08 88.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.853 -0.612 . . . . 0.24 111.292 -176.325 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 570' ' ' GLN . . . . . . . . . . . . . 17.0 pt20 -68.24 -36.4 79.4 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.188 -0.46 . . . . 1.24 110.654 -178.265 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 571' ' ' ALA . . . . . . . . . . . . . . . -64.5 -44.77 89.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.124 -0.489 . . . . 0.31 111.133 179.893 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 572' ' ' MET . . . . . 0.672 ' HG3' ' O ' ' A' ' 568' ' ' ALA . 26.1 mtt -69.18 -42.62 75.6 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.539 -0.3 . . . . 0.47 110.805 -178.938 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 573' ' ' VAL . . . . . 0.517 HG23 ' O ' ' A' ' 569' ' ' ALA . 75.1 t -59.38 -46.53 92.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 N-CA-C 110.315 -0.254 . . . . 0.34 110.315 179.199 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 574' ' ' GLN . . . . . 0.421 ' HA ' ' OE1' ' A' ' 574' ' ' GLN . 14.6 mm-40 -61.14 -38.07 85.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.954 0.406 . . . . 2.09 110.722 178.039 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 575' ' ' TYR . . . . . . . . . . . . . 87.9 t80 -69.48 -53.16 20.54 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.761 -0.654 . . . . 0.48 111.366 -178.05 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 576' ' ' TYR . . . . . 0.509 ' CD2' HD12 ' A' ' 590' ' ' ILE . 94.5 m-85 -77.01 -13.79 59.91 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 112.997 0.74 . . . . 0.36 112.997 -174.378 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 577' ' ' GLN . . . . . 0.496 ' HG3' ' O ' ' A' ' 573' ' ' VAL . 48.3 mt-30 -75.03 -32.19 61.52 Favored 'General case' 0 C--N 1.326 -0.435 0 C-N-CA 120.061 -0.656 . . . . 1.89 109.419 171.786 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 578' ' ' GLU . . . . . . . . . . . . . 17.3 mm-40 -89.91 -38.94 13.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.943 -0.572 . . . . 2.14 111.516 176.181 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 579' ' ' LYS . . . . . . . . . . . . . 58.8 mtpt -134.31 85.56 38.2 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 116.719 -0.218 . . . . 2.46 110.864 -179.624 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 580' ' ' PRO . . . . . . . . . . . . . 36.4 Cg_endo -65.71 160.1 45.18 Favored 'Trans proline' 0 C--O 1.233 0.259 0 C-N-CA 122.826 2.351 . . . . 0.37 112.388 178.683 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 581' ' ' ALA . . . . . . . . . . . . . . . -93.04 144.82 24.88 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.352 -0.385 . . . . 0.27 110.195 -179.994 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 582' ' ' ILE . . . . . . . . . . . . . 59.1 mt -101.27 121.82 52.61 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 N-CA-C 111.865 0.32 . . . . 0.51 111.865 -176.937 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 583' ' ' ILE . . . . . 0.455 ' CG1' HD11 ' A' ' 588' ' ' LEU . 30.3 mm -126.78 111.16 25.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 N-CA-C 109.139 -0.689 . . . . 0.51 109.139 170.16 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 584' ' ' ASN . . . . . . . . . . . . . 83.6 m-20 56.13 35.77 26.25 Favored 'General case' 0 N--CA 1.464 0.275 0 CA-C-O 121.533 0.682 . . . . 1.1 110.514 -179.387 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 585' ' ' GLY . . . . . . . . . . . . . . . 83.8 6.91 86.53 Favored Glycine 0 N--CA 1.443 -0.849 0 CA-C-N 115.307 -0.861 . . . . 0.44 113.546 177.287 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 586' ' ' GLU . . . . . . . . . . . . . 20.3 mm-40 -101.14 125.07 47.73 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 117.367 0.583 . . . . 1.79 110.593 177.353 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 587' ' ' LYS . . . . . . . . . . . . . 74.0 mmtt -74.56 111.39 9.7 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.679 -0.692 . . . . 1.67 110.51 174.497 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 588' ' ' LEU . . . . . 0.555 HD12 HD11 ' A' ' 540' ' ' LEU . 56.1 mt -78.54 134.4 37.26 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.791 0.329 . . . . 0.24 110.767 -178.957 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 589' ' ' LEU . . . . . 0.453 ' HB3' ' SG ' ' A' ' 525' ' ' CYS . 57.9 tp -112.8 114.24 26.7 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.05 -0.523 . . . . 0.38 110.864 -178.191 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 590' ' ' ILE . . . . . 0.509 HD12 ' CD2' ' A' ' 576' ' ' TYR . 21.6 mt -100.35 120.88 50.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 N-CA-C 109.938 -0.393 . . . . 0.26 109.938 175.847 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 591' ' ' ARG . . . . . . . . . . . . . 69.4 mtp180 -146.89 165.42 29.81 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 109.633 -0.506 . . . . 2.62 109.633 -177.707 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 592' ' ' MET . . . . . . . . . . . . . 55.7 mtt -83.01 141.74 31.86 Favored 'General case' 0 C--N 1.319 -0.761 0 C-N-CA 120.911 -0.316 . . . . 0.34 110.54 -178.141 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 593' ' ' SER . . . . . . . . . . . . . 48.3 t -79.22 133.32 36.68 Favored 'General case' 0 C--O 1.239 0.521 0 CA-C-O 121.213 0.53 . . . . 1.37 111.166 -177.845 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 594' ' ' THR . . . . . . . . . . . . . 19.4 p -90.0 -14.95 32.9 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 114.578 -1.192 . . . . 0.38 111.342 179.179 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 595' ' ' ARG . . . . . . . . . . . . . 94.4 mtt180 -100.92 -29.53 12.16 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.758 0.313 . . . . 2.75 111.822 -173.084 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 596' ' ' TYR . . . . . . . . . . . . . 68.5 m-85 -118.87 143.29 47.06 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.424 0.631 . . . . 0.65 112.112 -175.663 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 597' ' ' LYS . . . . . . . . . . . . . 24.6 mmtp -107.5 -21.5 12.88 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 114.873 -1.058 . . . . 2.18 110.16 179.762 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 598' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -142.31 150.87 41.39 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.981 0.419 . . . . 0.95 110.812 -175.89 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 599' ' ' LEU . . . . . 0.667 HD21 HG13 ' A' ' 521' ' ' VAL . 74.0 mt -111.56 121.14 44.37 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.737 -0.665 . . . . 0.45 110.65 177.733 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 600' ' ' GLN . . . . . . . . . . . . . 28.8 tt0 -112.01 114.01 26.64 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.894 -0.593 . . . . 1.52 110.346 179.771 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 601' ' ' LEU . . . . . . . . . . . . . 57.6 mt -72.18 105.98 4.21 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.886 0.374 . . . . 0.46 111.039 179.186 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 602' ' ' LYS . . . . . . . . . . . . . 55.8 mtmt -90.33 -11.05 41.83 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 121.279 0.562 . . . . 1.73 110.069 174.01 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 603' ' ' LYS . . . . . . . . . . . . . 74.3 mmtt . . . . . 0 C--N 1.325 -0.499 0 CA-C-N 115.468 -0.787 . . . . 1.69 109.706 177.605 . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' A' A ' 607' ' ' ASN . . . . . . . . . . . . . 32.0 t30 . . . . . 0 N--CA 1.457 -0.115 0 CA-C-O 121.295 0.569 . . . . 1.33 110.885 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' A' A ' 608' ' ' VAL . . . . . 0.617 HG11 ' HB ' ' A' ' 547' ' ' VAL . 95.3 t -86.05 -18.44 8.83 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 CA-C-N 115.281 -0.872 . . . . 0.3 111.053 -175.786 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 609' ' ' ALA . . . . . . . . . . . . . . . -63.05 -34.67 78.08 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.291 0.567 . . . . 0.44 110.501 175.625 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 610' ' ' ALA . . . . . . . . . . . . . . . -65.55 -27.31 68.35 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.659 -0.7 . . . . 0.4 110.334 177.168 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 611' ' ' ILE . . . . . 0.441 ' O ' HG13 ' A' ' 615' ' ' ILE . 74.3 mt -71.97 -32.14 43.03 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.466 0 CA-C-N 115.629 -0.714 . . . . 0.25 109.951 178.047 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 612' ' ' ILE . . . . . 0.467 HG12 HD13 ' A' ' 542' ' ' LEU . 63.3 mt -61.11 -44.27 97.96 Favored 'Isoleucine or valine' 0 C--O 1.235 0.298 0 CA-C-O 121.108 0.48 . . . . 0.31 110.1 173.348 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 613' ' ' GLN . . . . . . . . . . . . . 25.4 mt-30 -63.39 -30.28 71.44 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.66 -0.7 . . . . 2.31 109.907 176.331 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 614' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -69.64 -44.52 70.42 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 114.739 -1.119 . . . . 1.95 110.137 -179.035 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 615' ' ' ILE . . . . . 0.494 HD11 ' HA ' ' A' ' 539' ' ' ASN . 88.0 mt -61.34 -48.55 88.38 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.246 0 CA-C-N 115.954 -0.566 . . . . 0.35 110.61 178.675 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 616' ' ' HIS . . . . . . . . . . . . . 14.7 m170 -63.54 -29.06 70.38 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.586 -0.734 . . . . 1.26 111.256 -177.835 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 617' ' ' SER . . . . . . . . . . . . . 11.2 t . . . . . 0 C--N 1.326 -0.455 0 CA-C-N 116.167 -0.469 . . . . 1.18 110.202 178.254 . . . . . . . . 0 0 . 1 . 022 nuclear nobuild core ' A' A ' 520' ' ' ARG . . . . . . . . . . . . . 22.1 mtm-85 . . . . . 0 N--CA 1.453 -0.321 0 CA-C-O 121.122 0.487 . . . . 2.22 111.162 . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild core ' A' A ' 521' ' ' VAL . . . . . 0.833 HG13 HD21 ' A' ' 599' ' ' LEU . 90.5 t -117.19 120.29 64.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-N 115.565 -0.743 . . . . 0.32 110.409 172.302 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 522' ' ' VAL . . . . . 0.512 ' HB ' ' O ' ' A' ' 561' ' ' LEU . 21.9 t -121.44 121.78 65.53 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.811 0 N-CA-C 108.255 -1.017 . . . . 0.22 108.255 176.003 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 523' ' ' HIS . . . . . 0.417 ' HD2' ' CE1' ' A' ' 560' ' ' PHE . 59.3 t-80 -105.86 134.05 49.6 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.139 0.495 . . . . 0.44 110.664 -174.559 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 524' ' ' ILE . . . . . 0.487 HG23 HG12 ' A' ' 590' ' ' ILE . 24.9 mt -111.26 137.94 41.7 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.786 0 N-CA-C 108.42 -0.955 . . . . 0.19 108.42 177.748 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 525' ' ' CYS . . . . . 0.406 ' O ' ' HB2' ' A' ' 526' ' ' ASN . 0.0 OUTLIER -132.65 159.48 39.47 Favored 'General case' 0 C--N 1.319 -0.76 0 C-N-CA 120.539 -0.464 . . . . 1.17 111.639 -170.522 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 526' ' ' ASN . . . . . 0.406 ' HB2' ' O ' ' A' ' 525' ' ' CYS . 81.6 m-20 84.58 30.55 0.06 Allowed 'General case' 0 N--CA 1.47 0.554 0 O-C-N 124.768 1.293 . . . . 0.26 111.078 172.683 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 527' ' ' LEU . . . . . 0.418 ' HA ' ' HD3' ' A' ' 528' ' ' PRO . 84.5 mt -84.17 125.59 71.99 Favored Pre-proline 0 C--N 1.324 -0.502 0 CA-C-N 115.878 -0.601 . . . . 0.25 109.681 179.7 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 528' ' ' PRO . . . . . 0.418 ' HD3' ' HA ' ' A' ' 527' ' ' LEU . 3.1 Cg_exo -71.02 134.53 25.51 Favored 'Trans proline' 0 N--CA 1.458 -0.586 0 C-N-CA 121.558 1.505 . . . . 0.38 111.595 -178.136 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 529' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -66.63 138.35 57.38 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 109.449 -0.574 . . . . 1.6 109.449 176.832 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 530' ' ' GLY . . . . . . . . . . . . . . . 84.88 5.41 86.29 Favored Glycine 0 N--CA 1.445 -0.719 0 C-N-CA 119.995 -1.098 . . . . 0.48 110.721 -172.408 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 531' ' ' SER . . . . . . . . . . . . . 26.3 m -150.44 9.51 0.63 Allowed 'General case' 0 N--CA 1.452 -0.366 0 CA-C-O 121.13 0.491 . . . . 1.08 110.248 -175.635 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 532' ' ' CYS . . . . . . . . . . . . . 81.0 m -89.28 87.3 7.08 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 108.993 -0.743 . . . . 0.25 108.993 177.965 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 533' ' ' THR . . . . . 0.574 ' O ' HG23 ' A' ' 537' ' ' VAL . 82.8 p -104.32 149.04 25.7 Favored 'General case' 0 C--N 1.321 -0.66 0 C-N-CA 120.428 -0.509 . . . . 0.35 109.769 -179.809 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 534' ' ' GLU . . . . . 0.553 ' N ' HD11 ' A' ' 552' ' ' LEU . 38.5 mt-10 -67.86 -35.89 79.35 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.913 -0.585 . . . . 1.64 109.972 179.942 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 535' ' ' ASN . . . . . . . . . . . . . 58.7 t30 -59.92 -49.86 76.03 Favored 'General case' 0 C--O 1.217 -0.642 0 CA-C-N 114.915 -1.039 . . . . 1.82 110.937 -176.988 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 536' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -71.99 -40.73 68.35 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-O 121.152 0.501 . . . . 0.61 112.046 -172.64 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 537' ' ' VAL . . . . . 0.574 HG23 ' O ' ' A' ' 533' ' ' THR . 46.9 t -59.37 -48.09 88.31 Favored 'Isoleucine or valine' 0 C--O 1.244 0.807 0 CA-C-O 122.097 0.951 . . . . 0.15 109.651 178.757 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 538' ' ' ILE . . . . . 0.733 HD11 ' CG ' ' A' ' 550' ' ' TYR . 39.0 mt -67.93 -32.43 56.31 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.821 0 CA-C-N 115.157 -0.928 . . . . 0.23 111.203 174.986 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 539' ' ' ASN . . . . . 0.422 ' HA ' HD11 ' A' ' 615' ' ' ILE . 10.0 m120 -56.92 -28.48 62.08 Favored 'General case' 0 CA--C 1.514 -0.42 0 N-CA-C 110.13 -0.322 . . . . 0.25 110.13 176.815 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 540' ' ' LEU . . . . . 0.487 HD11 HD12 ' A' ' 588' ' ' LEU . 94.8 mt -76.11 -41.96 48.62 Favored 'General case' 0 N--CA 1.445 -0.691 0 C-N-CA 120.647 -0.421 . . . . 0.27 110.06 174.696 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 541' ' ' GLY . . . . . 0.653 ' HA3' HD21 ' A' ' 561' ' ' LEU . . . -66.51 -52.58 33.91 Favored Glycine 0 CA--C 1.525 0.665 0 N-CA-C 115.906 1.122 . . . . 0.19 115.906 -178.346 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 542' ' ' LEU . . . . . 0.568 ' HB2' ' CD1' ' A' ' 615' ' ' ILE . 45.2 mt -56.83 -43.64 99.45 Favored Pre-proline 0 C--N 1.32 -0.68 0 N-CA-C 114.945 1.461 . . . . 0.2 114.945 -168.329 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 543' ' ' PRO . . . . . 0.45 ' HG3' HG21 ' A' ' 615' ' ' ILE . 52.0 Cg_exo -59.38 -26.34 81.59 Favored 'Trans proline' 0 C--N 1.35 0.629 0 C-N-CA 121.993 1.796 . . . . 0.23 113.487 -177.891 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 544' ' ' PHE . . . . . . . . . . . . . 94.7 m-85 -99.4 -13.98 19.34 Favored 'General case' 0 C--N 1.33 -0.25 0 O-C-N 122.145 -0.347 . . . . 0.33 111.386 178.24 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 545' ' ' GLY . . . . . 0.545 ' O ' ' HA ' ' A' ' 542' ' ' LEU . . . 176.24 155.84 14.01 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.41 -0.9 . . . . 0.44 112.799 -178.687 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 546' ' ' LYS . . . . . . . . . . . . . 86.9 tttt -65.73 127.34 31.56 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.142 0.496 . . . . 2.07 111.604 -179.681 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 547' ' ' VAL . . . . . 0.586 HG21 HG23 ' A' ' 538' ' ' ILE . 79.4 t -90.38 115.99 30.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 115.5 -0.773 . . . . 0.2 110.811 176.407 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 548' ' ' THR . . . . . . . . . . . . . 21.5 p -92.57 -35.08 13.76 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 112.191 0.441 . . . . 0.31 112.191 178.498 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 549' ' ' ASN . . . . . 0.457 ' OD1' HD11 ' A' ' 601' ' ' LEU . 90.4 m-20 -142.71 162.46 35.4 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.042 0.448 . . . . 1.26 110.991 179.332 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 550' ' ' TYR . . . . . 0.733 ' CG ' HD11 ' A' ' 538' ' ' ILE . 1.7 p90 -160.38 151.06 18.58 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.61 -0.723 . . . . 0.31 109.858 -179.976 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 551' ' ' ILE . . . . . 0.54 ' HB ' ' HB2' ' A' ' 560' ' ' PHE . 60.4 mt -144.2 127.23 11.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 N-CA-C 108.201 -1.036 . . . . 0.22 108.201 -178.234 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 552' ' ' LEU . . . . . 0.553 HD11 ' N ' ' A' ' 534' ' ' GLU . 27.9 mt -106.25 124.43 49.57 Favored 'General case' 0 C--N 1.31 -1.145 0 C-N-CA 119.932 -0.707 . . . . 0.43 110.312 179.279 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 553' ' ' MET . . . . . . . . . . . . . 30.1 mtp -104.63 80.37 1.66 Allowed 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 108.435 -0.95 . . . . 1.03 108.435 -179.88 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 554' ' ' LYS . . . . . . . . . . . . . 26.1 mmtp -53.92 -28.67 38.29 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 114.768 -1.106 . . . . 1.03 112.589 175.557 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 555' ' ' SER . . . . . . . . . . . . . 65.7 p -68.88 -44.85 72.41 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 111.755 0.279 . . . . 0.51 111.755 -174.099 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 556' ' ' THR . . . . . . . . . . . . . 44.4 p -104.78 8.67 34.99 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 112.809 0.67 . . . . 0.45 112.809 -174.166 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 557' ' ' ASN . . . . . . . . . . . . . 18.5 m120 59.94 40.61 18.77 Favored 'General case' 0 N--CA 1.469 0.518 0 CA-C-O 121.597 0.713 . . . . 1.28 110.25 -176.355 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 558' ' ' GLN . . . . . 0.41 ' HB3' ' NE2' ' A' ' 523' ' ' HIS . 77.1 mt-30 -135.45 167.82 20.37 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.091 -0.959 . . . . 0.84 109.412 -175.644 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 559' ' ' ALA . . . . . . . . . . . . . . . -159.14 165.66 33.25 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.115 0.483 . . . . 0.16 111.776 176.462 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 560' ' ' PHE . . . . . 0.54 ' HB2' ' HB ' ' A' ' 551' ' ' ILE . 91.7 m-85 -119.89 148.51 43.4 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.589 -0.732 . . . . 0.35 110.875 176.53 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 561' ' ' LEU . . . . . 0.653 HD21 ' HA3' ' A' ' 541' ' ' GLY . 50.6 tp -137.8 119.58 15.2 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.348 -0.842 . . . . 0.2 110.0 179.809 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 562' ' ' GLU . . . . . 0.588 ' HB2' HD12 ' A' ' 599' ' ' LEU . 30.4 tt0 -99.13 128.08 45.2 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.343 0.592 . . . . 2.09 110.421 179.598 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 563' ' ' MET . . . . . 0.7 ' SD ' ' HA ' ' A' ' 569' ' ' ALA . 36.6 mtt -112.93 152.25 29.56 Favored 'General case' 0 C--N 1.316 -0.864 0 CA-C-N 115.216 -0.902 . . . . 0.39 109.234 -176.684 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 564' ' ' ALA . . . . . . . . . . . . . . . -73.76 -16.64 61.16 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.044 -0.525 . . . . 0.5 111.971 -170.423 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 565' ' ' TYR . . . . . 0.439 ' CB ' ' HG2' ' A' ' 567' ' ' GLU . 72.7 m-85 -143.41 148.05 35.56 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 109.883 -0.414 . . . . 1.15 109.883 -178.797 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 566' ' ' THR . . . . . . . . . . . . . 14.5 t -67.58 -27.38 66.88 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.175 -0.466 . . . . 0.57 110.197 179.147 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 567' ' ' GLU . . . . . 0.439 ' HG2' ' CB ' ' A' ' 565' ' ' TYR . 11.4 pt-20 -58.83 -32.7 69.63 Favored 'General case' 0 CA--C 1.526 0.052 0 CA-C-N 115.737 -0.665 . . . . 0.89 110.704 175.855 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 568' ' ' ALA . . . . . 0.689 ' O ' ' HG3' ' A' ' 572' ' ' MET . . . -74.01 -42.97 59.55 Favored 'General case' 0 N--CA 1.448 -0.528 0 CA-C-N 115.839 -0.619 . . . . 0.26 109.84 -177.866 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 569' ' ' ALA . . . . . 0.7 ' HA ' ' SD ' ' A' ' 563' ' ' MET . . . -62.74 -46.04 89.91 Favored 'General case' 0 N--CA 1.45 -0.459 0 CA-C-N 115.546 -0.752 . . . . 0.24 111.449 -176.135 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 570' ' ' GLN . . . . . 0.477 ' O ' ' HG2' ' A' ' 574' ' ' GLN . 13.5 pt20 -69.12 -36.67 77.75 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.387 -0.37 . . . . 1.24 110.644 -178.012 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 571' ' ' ALA . . . . . . . . . . . . . . . -64.01 -44.16 93.45 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.197 -0.456 . . . . 0.31 111.266 -178.665 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 572' ' ' MET . . . . . 0.689 ' HG3' ' O ' ' A' ' 568' ' ' ALA . 24.7 mtt -68.5 -40.92 80.69 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.356 -0.384 . . . . 0.47 110.291 -179.375 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 573' ' ' VAL . . . . . 0.621 ' O ' ' HG2' ' A' ' 577' ' ' GLN . 85.9 t -59.65 -48.3 87.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 N-CA-C 110.104 -0.332 . . . . 0.34 110.104 178.066 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 574' ' ' GLN . . . . . 0.477 ' HG2' ' O ' ' A' ' 570' ' ' GLN . 12.9 mm-40 -61.63 -37.32 83.55 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.846 0.355 . . . . 2.09 111.056 -179.257 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 575' ' ' TYR . . . . . . . . . . . . . 82.2 t80 -67.98 -51.7 44.28 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.005 -0.543 . . . . 0.48 110.167 -178.617 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 576' ' ' TYR . . . . . 0.553 ' CE2' HD12 ' A' ' 590' ' ' ILE . 58.6 m-85 -76.38 -13.88 60.11 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 112.603 0.594 . . . . 0.36 112.603 -176.636 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 577' ' ' GLN . . . . . 0.621 ' HG2' ' O ' ' A' ' 573' ' ' VAL . 17.4 mm-40 -64.33 -44.03 92.79 Favored 'General case' 0 C--N 1.332 -0.18 0 N-CA-C 109.268 -0.641 . . . . 1.89 109.268 171.024 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 578' ' ' GLU . . . . . . . . . . . . . 14.3 mm-40 -89.37 -38.69 13.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.453 -0.794 . . . . 2.14 111.614 -179.941 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 579' ' ' LYS . . . . . 0.528 ' O ' ' HA ' ' A' ' 576' ' ' TYR . 63.3 mttp -131.02 90.55 39.01 Favored Pre-proline 0 C--N 1.325 -0.498 0 N-CA-C 110.164 -0.31 . . . . 2.46 110.164 178.835 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 580' ' ' PRO . . . . . . . . . . . . . 38.9 Cg_endo -66.63 160.97 43.63 Favored 'Trans proline' 0 C--O 1.234 0.292 0 C-N-CA 122.735 2.29 . . . . 0.37 112.419 -178.634 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 581' ' ' ALA . . . . . 0.531 ' HB2' ' CE1' ' A' ' 576' ' ' TYR . . . -91.01 137.13 32.6 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.183 -0.462 . . . . 0.27 109.919 179.431 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 582' ' ' ILE . . . . . . . . . . . . . 34.9 mt -106.28 119.65 56.03 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 CA-C-O 120.909 0.385 . . . . 0.51 111.906 -173.714 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 583' ' ' ILE . . . . . 0.43 ' CG1' HD11 ' A' ' 588' ' ' LEU . 29.1 mm -124.69 112.37 31.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 115.717 -0.674 . . . . 0.51 109.547 172.112 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 584' ' ' ASN . . . . . . . . . . . . . 95.0 m-20 54.64 41.06 32.19 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 121.645 0.736 . . . . 1.1 110.545 -179.922 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 585' ' ' GLY . . . . . . . . . . . . . . . 81.85 2.02 90.42 Favored Glycine 0 N--CA 1.446 -0.66 0 CA-C-N 114.854 -1.066 . . . . 0.44 113.92 176.174 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 586' ' ' GLU . . . . . . . . . . . . . 51.3 mm-40 -99.74 126.27 45.77 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 117.481 0.641 . . . . 1.79 110.856 -179.665 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 587' ' ' LYS . . . . . . . . . . . . . 72.5 mmtt -75.26 110.24 9.44 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.321 -0.854 . . . . 1.67 110.223 175.544 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 588' ' ' LEU . . . . . 0.487 HD12 HD11 ' A' ' 540' ' ' LEU . 63.0 mt -81.5 137.03 35.63 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 121.028 0.442 . . . . 0.24 110.587 -179.013 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 589' ' ' LEU . . . . . . . . . . . . . 43.8 tp -112.7 112.08 23.34 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.709 -0.678 . . . . 0.38 110.709 -177.93 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 590' ' ' ILE . . . . . 0.553 HD12 ' CE2' ' A' ' 576' ' ' TYR . 15.8 mt -101.84 121.04 52.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 N-CA-C 110.094 -0.336 . . . . 0.26 110.094 176.769 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 591' ' ' ARG . . . . . 0.426 ' HA ' HG22 ' A' ' 573' ' ' VAL . 99.3 mtt180 -147.57 165.16 31.19 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.82 0.343 . . . . 2.62 110.667 -177.818 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 592' ' ' MET . . . . . . . . . . . . . 60.8 mtt -82.29 139.01 34.42 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.135 -0.484 . . . . 0.34 109.789 -179.956 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 593' ' ' SER . . . . . . . . . . . . . 38.3 m -85.02 139.78 31.51 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.32 0.581 . . . . 1.37 111.912 -176.54 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 594' ' ' THR . . . . . . . . . . . . . 18.4 p -91.66 -15.47 28.46 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 114.658 -1.155 . . . . 0.38 112.603 -175.54 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 595' ' ' ARG . . . . . . . . . . . . . 68.9 mtp180 -103.57 -28.03 11.98 Favored 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 120.551 -0.46 . . . . 2.75 112.138 -172.117 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 596' ' ' TYR . . . . . . . . . . . . . 50.8 m-85 -118.25 150.23 39.8 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.164 0.507 . . . . 0.65 111.576 -178.951 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 597' ' ' LYS . . . . . 0.441 ' C ' HG23 ' A' ' 521' ' ' VAL . 7.6 mtmm -107.64 -26.18 10.98 Favored 'General case' 0 C--O 1.219 -0.502 0 CA-C-N 115.369 -0.832 . . . . 2.18 111.305 -178.314 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 598' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -142.65 150.77 40.66 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.87 0.367 . . . . 0.95 110.695 -179.926 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 599' ' ' LEU . . . . . 0.833 HD21 HG13 ' A' ' 521' ' ' VAL . 63.4 mt -95.33 124.19 39.24 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.698 -0.683 . . . . 0.45 111.628 179.816 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 600' ' ' GLN . . . . . . . . . . . . . 20.6 tt0 -103.06 124.19 48.06 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 114.906 -1.043 . . . . 1.52 110.651 -179.827 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 601' ' ' LEU . . . . . 0.457 HD11 ' OD1' ' A' ' 549' ' ' ASN . 86.7 mt -82.49 94.88 7.55 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.587 -0.279 . . . . 0.46 111.028 178.428 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 602' ' ' LYS . . . . . . . . . . . . . 50.0 mtmt -79.36 -18.91 51.48 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 109.124 -0.695 . . . . 1.73 109.124 169.818 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 603' ' ' LYS . . . . . . . . . . . . . 34.9 mmtp . . . . . 0 C--N 1.325 -0.487 0 CA-C-N 115.02 -0.991 . . . . 1.69 108.608 174.254 . . . . . . . . 0 0 . 1 . 022 nuclear nobuild core ' A' A ' 607' ' ' ASN . . . . . . . . . . . . . 42.1 t30 . . . . . 0 C--O 1.232 0.155 0 CA-C-O 121.025 0.441 . . . . 1.33 110.327 . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild core ' A' A ' 608' ' ' VAL . . . . . 0.554 HG11 ' HB ' ' A' ' 547' ' ' VAL . 57.7 t -85.0 -19.91 8.56 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.587 0 CA-C-N 115.846 -0.615 . . . . 0.3 110.551 -176.69 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 609' ' ' ALA . . . . . . . . . . . . . . . -61.69 -31.66 71.81 Favored 'General case' 0 C--O 1.24 0.556 0 CA-C-O 121.455 0.645 . . . . 0.44 110.999 175.523 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 610' ' ' ALA . . . . . . . . . . . . . . . -63.63 -30.01 71.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.685 -0.688 . . . . 0.4 109.816 176.603 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 611' ' ' ILE . . . . . 0.449 ' CD1' HD12 ' A' ' 538' ' ' ILE . 77.5 mt -70.67 -30.69 43.34 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.349 0 CA-C-N 115.325 -0.852 . . . . 0.25 109.851 178.8 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 612' ' ' ILE . . . . . 0.477 ' CG1' HD13 ' A' ' 542' ' ' LEU . 76.0 mt -59.76 -42.71 89.7 Favored 'Isoleucine or valine' 0 C--O 1.235 0.323 0 N-CA-C 109.715 -0.476 . . . . 0.31 109.715 173.558 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 613' ' ' GLN . . . . . 0.475 ' HA ' ' OE1' ' A' ' 613' ' ' GLN . 15.1 mm-40 -65.4 -31.01 71.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.703 -0.681 . . . . 2.31 110.824 176.433 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 614' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -67.71 -43.96 78.82 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.185 -0.461 . . . . 1.95 110.759 177.441 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 615' ' ' ILE . . . . . 0.568 ' CD1' ' HB2' ' A' ' 542' ' ' LEU . 87.1 mt -60.36 -48.92 86.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-O 121.082 0.467 . . . . 0.35 110.683 179.474 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 616' ' ' HIS . . . . . . . . . . . . . 10.6 m-70 -66.24 -26.74 67.5 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.827 -0.624 . . . . 1.26 111.324 179.903 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 617' ' ' SER . . . . . . . . . . . . . 36.7 t . . . . . 0 C--N 1.327 -0.37 0 CA-C-O 120.942 0.401 . . . . 1.18 110.447 176.468 . . . . . . . . 0 0 . 1 . 023 nuclear nobuild core ' A' A ' 520' ' ' ARG . . . . . . . . . . . . . 37.8 mtm-85 . . . . . 0 N--CA 1.453 -0.289 0 CA-C-O 121.137 0.494 . . . . 2.22 111.068 . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild core ' A' A ' 521' ' ' VAL . . . . . 0.725 HG13 HD21 ' A' ' 599' ' ' LEU . 89.3 t -117.58 123.31 71.57 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-N 115.632 -0.713 . . . . 0.32 110.876 170.983 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 522' ' ' VAL . . . . . 0.548 ' HB ' ' O ' ' A' ' 561' ' ' LEU . 22.4 t -120.07 122.49 68.57 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.747 0 N-CA-C 107.81 -1.182 . . . . 0.22 107.81 175.228 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 523' ' ' HIS . . . . . . . . . . . . . 43.2 t-80 -105.45 133.33 50.38 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.21 0.528 . . . . 0.44 111.119 -171.791 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 524' ' ' ILE . . . . . 0.489 HG23 HG12 ' A' ' 590' ' ' ILE . 29.9 mt -113.62 141.91 27.97 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.762 0 CA-C-N 115.376 -0.829 . . . . 0.19 108.812 177.735 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 525' ' ' CYS . . . . . 0.546 ' SG ' ' HB3' ' A' ' 589' ' ' LEU . 1.8 p -141.66 164.03 31.31 Favored 'General case' 0 C--N 1.316 -0.874 0 C-N-CA 120.618 -0.433 . . . . 1.17 111.652 -178.47 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 526' ' ' ASN . . . . . 0.445 ' HB2' ' O ' ' A' ' 525' ' ' CYS . 86.7 m-20 88.39 28.95 0.03 OUTLIER 'General case' 0 N--CA 1.471 0.594 0 O-C-N 125.045 1.466 . . . . 0.26 110.552 177.253 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 527' ' ' LEU . . . . . . . . . . . . . 78.7 mt -90.46 124.64 62.2 Favored Pre-proline 0 C--N 1.322 -0.6 0 N-CA-C 108.771 -0.826 . . . . 0.25 108.771 176.553 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 528' ' ' PRO . . . . . . . . . . . . . 5.6 Cg_exo -71.28 133.54 23.01 Favored 'Trans proline' 0 N--CA 1.455 -0.762 0 C-N-CA 121.298 1.332 . . . . 0.38 111.174 -177.267 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 529' ' ' GLU . . . . . . . . . . . . . 45.4 tt0 -66.31 129.74 40.85 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 109.814 -0.439 . . . . 1.6 109.814 177.39 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 530' ' ' GLY . . . . . . . . . . . . . . . 92.01 2.58 68.83 Favored Glycine 0 N--CA 1.447 -0.572 0 N-CA-C 110.397 -1.081 . . . . 0.48 110.397 -171.765 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 531' ' ' SER . . . . . . . . . . . . . 16.1 m -143.36 8.46 1.59 Allowed 'General case' 0 N--CA 1.45 -0.439 0 CA-C-N 115.16 -0.52 . . . . 1.08 109.914 -177.905 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 532' ' ' CYS . . . . . . . . . . . . . 60.8 m -89.79 91.18 8.52 Favored 'General case' 0 CA--C 1.516 -0.345 0 N-CA-C 108.963 -0.754 . . . . 0.25 108.963 179.786 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 533' ' ' THR . . . . . 0.482 ' O ' HG23 ' A' ' 537' ' ' VAL . 68.4 p -101.01 148.73 24.7 Favored 'General case' 0 C--N 1.318 -0.777 0 C-N-CA 120.369 -0.532 . . . . 0.35 110.063 -178.018 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 534' ' ' GLU . . . . . 0.449 ' HA ' HD11 ' A' ' 552' ' ' LEU . 44.9 mt-10 -68.65 -36.04 78.05 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.845 -0.616 . . . . 1.64 110.386 -178.008 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 535' ' ' ASN . . . . . 0.443 ' OD1' HG23 ' A' ' 611' ' ' ILE . 60.7 t30 -64.99 -49.24 71.04 Favored 'General case' 0 C--O 1.216 -0.706 0 CA-C-N 114.987 -1.006 . . . . 1.82 111.206 -174.877 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 536' ' ' ASP . . . . . 0.401 ' HA ' ' OD1' ' A' ' 539' ' ' ASN . 2.9 m-20 -71.23 -39.81 71.46 Favored 'General case' 0 N--CA 1.47 0.556 0 CA-C-O 121.198 0.523 . . . . 0.61 111.59 -170.414 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 537' ' ' VAL . . . . . 0.482 HG23 ' O ' ' A' ' 533' ' ' THR . 49.2 t -59.12 -48.09 87.94 Favored 'Isoleucine or valine' 0 C--O 1.241 0.634 0 CA-C-N 115.294 -0.866 . . . . 0.15 109.531 178.064 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 538' ' ' ILE . . . . . 0.687 HD11 ' CG ' ' A' ' 550' ' ' TYR . 23.7 mt -68.76 -32.86 56.62 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 CA-C-N 115.378 -0.828 . . . . 0.23 111.804 175.241 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 539' ' ' ASN . . . . . 0.47 ' HA ' HD11 ' A' ' 615' ' ' ILE . 13.1 m120 -57.63 -27.83 63.14 Favored 'General case' 0 N--CA 1.466 0.369 0 N-CA-C 110.314 -0.254 . . . . 0.25 110.314 177.794 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 540' ' ' LEU . . . . . 0.431 HD11 HD12 ' A' ' 588' ' ' LEU . 94.5 mt -76.65 -42.39 42.15 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 120.926 0.393 . . . . 0.27 110.012 173.679 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 541' ' ' GLY . . . . . 0.51 ' HA2' ' SD ' ' A' ' 572' ' ' MET . . . -64.94 -52.64 40.02 Favored Glycine 0 CA--C 1.522 0.502 0 N-CA-C 115.475 0.95 . . . . 0.19 115.475 -178.678 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 542' ' ' LEU . . . . . 0.49 ' HB2' ' CD1' ' A' ' 615' ' ' ILE . 35.7 mt -56.37 -44.65 99.82 Favored Pre-proline 0 CA--C 1.54 0.576 0 N-CA-C 114.796 1.406 . . . . 0.2 114.796 -169.392 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 543' ' ' PRO . . . . . . . . . . . . . 35.6 Cg_exo -61.38 -27.03 82.24 Favored 'Trans proline' 0 C--N 1.348 0.542 0 C-N-CA 122.041 1.827 . . . . 0.23 113.689 -177.641 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 544' ' ' PHE . . . . . 0.46 ' HB2' ' HE2' ' A' ' 572' ' ' MET . 97.0 m-85 -98.4 -8.94 26.0 Favored 'General case' 0 C--N 1.33 -0.254 0 O-C-N 122.21 -0.306 . . . . 0.33 111.193 178.769 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 545' ' ' GLY . . . . . 0.471 ' O ' ' HA ' ' A' ' 542' ' ' LEU . . . 168.79 152.12 7.55 Favored Glycine 0 N--CA 1.448 -0.527 0 C-N-CA 120.819 -0.705 . . . . 0.44 111.945 -178.064 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 546' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -66.35 130.87 44.67 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-O 121.156 0.503 . . . . 2.07 111.618 -177.778 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 547' ' ' VAL . . . . . 0.623 HG21 HG23 ' A' ' 538' ' ' ILE . 80.2 t -90.42 116.74 32.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 115.562 -0.745 . . . . 0.2 110.684 177.674 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 548' ' ' THR . . . . . . . . . . . . . 21.2 p -94.94 -35.29 12.06 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.098 -0.501 . . . . 0.31 111.923 177.392 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 549' ' ' ASN . . . . . 0.46 ' HB2' ' HB3' ' A' ' 562' ' ' GLU . 16.1 m120 -144.4 157.95 43.99 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.852 0.358 . . . . 1.26 110.965 -179.782 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 550' ' ' TYR . . . . . 0.687 ' CG ' HD11 ' A' ' 538' ' ' ILE . 3.3 p90 -162.04 152.7 17.46 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.864 -0.607 . . . . 0.31 109.707 -178.092 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 551' ' ' ILE . . . . . 0.51 ' HB ' ' HB2' ' A' ' 560' ' ' PHE . 64.8 mt -143.64 129.73 16.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 N-CA-C 108.621 -0.881 . . . . 0.22 108.621 -178.299 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 552' ' ' LEU . . . . . 0.449 HD11 ' HA ' ' A' ' 534' ' ' GLU . 22.9 mt -107.13 118.75 37.53 Favored 'General case' 0 C--N 1.315 -0.896 0 C-N-CA 120.475 -0.49 . . . . 0.43 110.317 179.904 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 553' ' ' MET . . . . . . . . . . . . . 63.8 mtm -108.87 82.29 1.58 Allowed 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 122.029 0.919 . . . . 1.03 109.193 -179.01 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 554' ' ' LYS . . . . . . . . . . . . . 12.0 mmtp -52.96 -27.84 20.86 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 113.828 -1.533 . . . . 1.03 112.622 176.375 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 555' ' ' SER . . . . . . . . . . . . . 63.9 p -69.21 -46.0 68.48 Favored 'General case' 0 N--CA 1.448 -0.554 0 CA-C-O 120.84 0.352 . . . . 0.51 111.259 -173.888 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 556' ' ' THR . . . . . . . . . . . . . 44.8 p -99.68 8.32 44.44 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 112.425 0.528 . . . . 0.45 112.425 -175.647 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 557' ' ' ASN . . . . . . . . . . . . . 4.7 m-20 59.8 39.91 20.12 Favored 'General case' 0 N--CA 1.468 0.44 0 CA-C-O 121.863 0.839 . . . . 1.28 110.11 -178.085 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 558' ' ' GLN . . . . . . . . . . . . . 27.1 mt-30 -142.02 168.05 20.67 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.024 -0.989 . . . . 0.84 110.363 -174.274 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 559' ' ' ALA . . . . . . . . . . . . . . . -157.65 165.99 34.02 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.151 0.5 . . . . 0.16 111.412 -179.376 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 560' ' ' PHE . . . . . 0.51 ' HB2' ' HB ' ' A' ' 551' ' ' ILE . 79.5 m-85 -119.56 149.47 41.87 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.825 -0.625 . . . . 0.35 110.663 177.955 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 561' ' ' LEU . . . . . 0.548 ' O ' ' HB ' ' A' ' 522' ' ' VAL . 54.1 tp -141.08 119.1 11.9 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.782 -0.645 . . . . 0.2 110.261 -179.759 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 562' ' ' GLU . . . . . 0.538 ' HB2' HD12 ' A' ' 599' ' ' LEU . 32.0 tt0 -100.38 123.33 44.46 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.474 0.654 . . . . 2.09 110.158 176.667 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 563' ' ' MET . . . . . 0.786 ' SD ' ' HA ' ' A' ' 569' ' ' ALA . 22.5 mtt -107.21 148.57 28.75 Favored 'General case' 0 C--N 1.315 -0.921 0 CA-C-N 114.84 -1.073 . . . . 0.39 108.775 -178.659 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 564' ' ' ALA . . . . . . . . . . . . . . . -59.99 -26.13 65.8 Favored 'General case' 0 N--CA 1.463 0.195 0 N-CA-C 112.966 0.728 . . . . 0.5 112.966 -168.307 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 565' ' ' TYR . . . . . . . . . . . . . 84.8 m-85 -143.19 160.92 39.55 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 110.401 -0.222 . . . . 1.15 110.401 179.19 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 566' ' ' THR . . . . . . . . . . . . . 7.4 t -68.11 -27.07 66.15 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.43 -0.35 . . . . 0.57 110.251 -179.465 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 567' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -59.38 -33.07 70.74 Favored 'General case' 0 C--N 1.334 -0.106 0 CA-C-N 115.846 -0.616 . . . . 0.89 110.825 178.07 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 568' ' ' ALA . . . . . 0.673 ' O ' ' HG3' ' A' ' 572' ' ' MET . . . -73.76 -41.7 62.1 Favored 'General case' 0 N--CA 1.449 -0.478 0 CA-C-N 115.893 -0.594 . . . . 0.26 109.788 179.963 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 569' ' ' ALA . . . . . 0.786 ' HA ' ' SD ' ' A' ' 563' ' ' MET . . . -63.53 -45.78 89.01 Favored 'General case' 0 CA--C 1.518 -0.286 0 CA-C-N 115.619 -0.719 . . . . 0.24 111.493 -176.299 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 570' ' ' GLN . . . . . . . . . . . . . 18.6 pt20 -68.34 -36.85 79.87 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.141 -0.481 . . . . 1.24 110.695 -178.276 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 571' ' ' ALA . . . . . . . . . . . . . . . -64.05 -43.2 96.26 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.24 -0.436 . . . . 0.31 111.15 -178.949 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 572' ' ' MET . . . . . 0.673 ' HG3' ' O ' ' A' ' 568' ' ' ALA . 23.5 mtt -70.39 -43.32 70.32 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.479 -0.328 . . . . 0.47 111.097 -179.493 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 573' ' ' VAL . . . . . 0.534 HG23 ' O ' ' A' ' 569' ' ' ALA . 77.8 t -60.05 -47.76 90.59 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.169 0 CA-C-O 120.846 0.355 . . . . 0.34 110.53 -179.341 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 574' ' ' GLN . . . . . . . . . . . . . 78.3 mm-40 -64.59 -35.55 81.37 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.267 -0.424 . . . . 2.09 110.715 179.31 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 575' ' ' TYR . . . . . . . . . . . . . 70.8 t80 -67.82 -52.02 41.83 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.192 -0.458 . . . . 0.48 110.794 -179.011 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 576' ' ' TYR . . . . . 0.607 ' CE1' ' HB2' ' A' ' 581' ' ' ALA . 57.7 m-85 -76.83 -14.22 59.92 Favored 'General case' 0 N--CA 1.466 0.342 0 N-CA-C 113.41 0.893 . . . . 0.36 113.41 -175.833 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 577' ' ' GLN . . . . . 0.444 ' HG3' ' O ' ' A' ' 573' ' ' VAL . 25.3 mt-30 -72.73 -38.12 67.54 Favored 'General case' 0 C--N 1.319 -0.726 0 C-N-CA 119.793 -0.763 . . . . 1.89 109.744 172.341 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 578' ' ' GLU . . . . . . . . . . . . . 11.3 mm-40 -86.71 -38.18 17.22 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.944 -0.571 . . . . 2.14 110.943 177.424 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 579' ' ' LYS . . . . . 0.525 ' O ' ' HA ' ' A' ' 576' ' ' TYR . 96.1 mttt -132.83 89.73 34.07 Favored Pre-proline 0 C--N 1.327 -0.377 0 N-CA-C 109.99 -0.374 . . . . 2.46 109.99 177.693 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 580' ' ' PRO . . . . . . . . . . . . . 37.6 Cg_endo -66.0 159.28 49.99 Favored 'Trans proline' 0 C--O 1.234 0.315 0 C-N-CA 122.507 2.138 . . . . 0.37 112.681 -176.601 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 581' ' ' ALA . . . . . 0.607 ' HB2' ' CE1' ' A' ' 576' ' ' TYR . . . -91.82 136.04 33.45 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.017 -0.538 . . . . 0.27 110.124 179.398 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 582' ' ' ILE . . . . . . . . . . . . . 54.2 mt -99.36 120.75 49.14 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.681 0 CA-C-O 120.835 0.35 . . . . 0.51 111.841 -175.258 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 583' ' ' ILE . . . . . 0.459 HG13 HD11 ' A' ' 588' ' ' LEU . 28.6 mm -125.15 111.26 27.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-N 116.02 -0.536 . . . . 0.51 109.931 171.429 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 584' ' ' ASN . . . . . . . . . . . . . 3.5 m-20 56.83 36.05 27.16 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.448 0.642 . . . . 1.1 110.889 176.076 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 585' ' ' GLY . . . . . . . . . . . . . . . 86.09 0.03 87.29 Favored Glycine 0 N--CA 1.448 -0.529 0 CA-C-N 115.231 -0.895 . . . . 0.44 113.589 179.989 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 586' ' ' GLU . . . . . . . . . . . . . 51.0 mm-40 -100.94 126.16 47.57 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 117.256 0.528 . . . . 1.79 110.984 179.926 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 587' ' ' LYS . . . . . . . . . . . . . 46.9 mmtm -77.32 111.21 12.74 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.578 -0.737 . . . . 1.67 110.719 175.115 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 588' ' ' LEU . . . . . 0.459 HD11 HG13 ' A' ' 583' ' ' ILE . 31.1 mt -75.71 141.54 42.65 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.154 0.502 . . . . 0.24 111.169 -178.261 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 589' ' ' LEU . . . . . 0.546 ' HB3' ' SG ' ' A' ' 525' ' ' CYS . 60.4 tp -112.4 111.55 22.48 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.413 -0.812 . . . . 0.38 110.009 176.049 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 590' ' ' ILE . . . . . 0.525 HD12 ' CD2' ' A' ' 576' ' ' TYR . 17.1 mt -103.28 118.98 51.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 N-CA-C 109.66 -0.496 . . . . 0.26 109.66 175.659 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 591' ' ' ARG . . . . . . . . . . . . . 50.9 mtp180 -144.23 165.99 26.31 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.424 -0.353 . . . . 2.62 110.543 -177.345 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 592' ' ' MET . . . . . . . . . . . . . 56.2 mtt -81.06 140.89 34.84 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.36 -0.382 . . . . 0.34 110.25 -179.28 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 593' ' ' SER . . . . . . . . . . . . . 40.5 t -84.58 132.77 34.47 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.517 0.675 . . . . 1.37 111.41 -176.018 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 594' ' ' THR . . . . . . . . . . . . . 19.5 p -90.88 -12.76 35.21 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-N 114.279 -1.328 . . . . 0.38 111.252 178.293 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 595' ' ' ARG . . . . . . . . . . . . . 60.2 mtp180 -101.22 -29.58 12.02 Favored 'General case' 0 C--N 1.332 -0.169 0 N-CA-C 112.839 0.681 . . . . 2.75 112.839 -170.662 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 596' ' ' TYR . . . . . 0.434 ' C ' ' HD2' ' A' ' 597' ' ' LYS . 70.0 m-85 -123.79 151.81 42.92 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.218 0.532 . . . . 0.65 112.248 -176.204 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 597' ' ' LYS . . . . . 0.579 ' N ' ' HD2' ' A' ' 597' ' ' LYS . 0.1 OUTLIER -109.26 -22.03 12.27 Favored 'General case' 0 C--O 1.223 -0.291 0 CA-C-N 115.137 -0.938 . . . . 2.18 111.679 -177.698 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 598' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -147.13 150.51 35.12 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.013 0.435 . . . . 0.95 111.195 179.749 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 599' ' ' LEU . . . . . 0.725 HD21 HG13 ' A' ' 521' ' ' VAL . 70.6 mt -104.23 127.41 51.85 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.52 -0.764 . . . . 0.45 111.436 177.674 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 600' ' ' GLN . . . . . 0.449 ' NE2' ' HD3' ' A' ' 602' ' ' LYS . 18.3 tt0 -113.76 133.53 55.32 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.119 -0.946 . . . . 1.52 110.143 179.123 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 601' ' ' LEU . . . . . 0.432 ' HG ' HD22 ' A' ' 549' ' ' ASN . 53.1 mt -88.46 96.23 10.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.095 0.474 . . . . 0.46 111.464 -178.951 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 602' ' ' LYS . . . . . 0.449 ' HD3' ' NE2' ' A' ' 600' ' ' GLN . 14.2 mmmm -80.93 -10.95 59.66 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.999 -0.546 . . . . 1.73 110.376 174.717 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 603' ' ' LYS . . . . . . . . . . . . . 30.5 mmtp . . . . . 0 C--N 1.326 -0.455 0 CA-C-N 115.613 -0.721 . . . . 1.69 109.71 -179.203 . . . . . . . . 0 0 . 1 . 023 nuclear nobuild core ' A' A ' 607' ' ' ASN . . . . . . . . . . . . . 27.6 t30 . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.94 0.4 . . . . 1.33 110.707 . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild core ' A' A ' 608' ' ' VAL . . . . . 0.514 HG11 ' HB ' ' A' ' 547' ' ' VAL . 60.8 t -72.91 -22.91 20.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-N 115.815 -0.63 . . . . 0.3 111.079 -175.777 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 609' ' ' ALA . . . . . . . . . . . . . . . -65.9 -36.09 82.43 Favored 'General case' 0 C--O 1.239 0.545 0 CA-C-O 121.39 0.614 . . . . 0.44 110.466 176.031 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 610' ' ' ALA . . . . . . . . . . . . . . . -64.21 -29.68 70.77 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.7 -0.682 . . . . 0.4 109.926 176.258 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 611' ' ' ILE . . . . . 0.53 ' CD1' HD12 ' A' ' 538' ' ' ILE . 64.7 mt -69.22 -32.9 55.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-N 115.481 -0.781 . . . . 0.25 109.874 179.663 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 612' ' ' ILE . . . . . 0.46 HG12 HD13 ' A' ' 542' ' ' LEU . 61.9 mt -60.23 -42.19 89.5 Favored 'Isoleucine or valine' 0 C--O 1.232 0.179 0 CA-C-O 121.234 0.54 . . . . 0.31 109.6 173.528 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 613' ' ' GLN . . . . . . . . . . . . . 16.4 mt-30 -62.63 -38.65 91.05 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.577 -0.738 . . . . 2.31 109.857 177.629 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 614' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -65.37 -42.57 92.58 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 114.829 -1.078 . . . . 1.95 110.851 179.591 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 615' ' ' ILE . . . . . 0.49 ' CD1' ' HB2' ' A' ' 542' ' ' LEU . 82.7 mt -60.46 -41.6 88.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.462 -0.336 . . . . 0.35 110.829 178.492 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 616' ' ' HIS . . . . . . . . . . . . . 60.7 m-70 -65.33 -28.38 69.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.453 -0.339 . . . . 1.26 110.96 179.211 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 617' ' ' SER . . . . . . . . . . . . . 20.0 m . . . . . 0 C--N 1.328 -0.341 0 CA-C-O 121.084 0.468 . . . . 1.18 110.477 174.929 . . . . . . . . 0 0 . 1 . 024 nuclear nobuild core ' A' A ' 520' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.449 -0.513 0 CA-C-O 121.184 0.516 . . . . 2.22 110.233 . . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 521' ' ' VAL . . . . . 0.661 ' HB ' ' OG ' ' A' ' 593' ' ' SER . 57.4 t -117.53 124.32 72.9 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.01 0 CA-C-N 115.736 -0.666 . . . . 0.32 109.939 168.77 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 522' ' ' VAL . . . . . 0.437 HG11 ' CE ' ' A' ' 563' ' ' MET . 25.4 t -119.79 122.92 69.9 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.04 0 N-CA-C 106.922 -1.51 . . . . 0.22 106.922 174.302 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 523' ' ' HIS . . . . . . . . . . . . . 59.0 t-80 -103.85 133.4 48.89 Favored 'General case' 0 C--N 1.318 -0.787 0 O-C-N 121.722 -0.611 . . . . 0.44 110.417 -169.687 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 524' ' ' ILE . . . . . 0.509 HD11 HD22 ' A' ' 561' ' ' LEU . 29.5 mt -111.07 136.54 46.81 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.834 0 CA-C-N 115.297 -0.865 . . . . 0.19 109.101 -179.328 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 525' ' ' CYS . . . . . 0.436 ' O ' ' HB2' ' A' ' 526' ' ' ASN . 42.4 t -133.71 160.28 38.02 Favored 'General case' 0 C--N 1.315 -0.913 0 C-N-CA 121.13 -0.228 . . . . 1.17 110.797 -175.06 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 526' ' ' ASN . . . . . 0.48 ' HB2' ' HA ' ' A' ' 588' ' ' LEU . 77.2 m-20 86.9 28.83 0.04 OUTLIER 'General case' 0 N--CA 1.469 0.49 0 O-C-N 124.674 1.234 . . . . 0.26 110.674 173.506 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 527' ' ' LEU . . . . . 0.468 ' HB3' ' SG ' ' A' ' 532' ' ' CYS . 82.1 mt -84.98 124.85 71.91 Favored Pre-proline 0 C--N 1.325 -0.489 0 N-CA-C 109.296 -0.631 . . . . 0.25 109.296 178.118 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 528' ' ' PRO . . . . . 0.424 ' HD3' ' HA ' ' A' ' 527' ' ' LEU . 12.2 Cg_exo -68.8 134.57 30.43 Favored 'Trans proline' 0 N--CA 1.461 -0.407 0 C-N-CA 121.861 1.707 . . . . 0.38 111.786 -178.692 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 529' ' ' GLU . . . . . . . . . . . . . 28.1 tt0 -65.79 136.4 56.15 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 109.454 -0.573 . . . . 1.6 109.454 178.602 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 530' ' ' GLY . . . . . . . . . . . . . . . 86.83 4.39 82.43 Favored Glycine 0 N--CA 1.446 -0.635 0 C-N-CA 120.006 -1.093 . . . . 0.48 111.501 -175.441 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 531' ' ' SER . . . . . . . . . . . . . 63.1 m -150.08 14.29 0.8 Allowed 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.262 0.553 . . . . 1.08 110.265 -176.913 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 532' ' ' CYS . . . . . 0.554 ' HB2' ' HD2' ' A' ' 554' ' ' LYS . 76.3 m -89.7 84.22 6.29 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 108.964 -0.754 . . . . 0.25 108.964 177.631 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 533' ' ' THR . . . . . 0.623 ' O ' HG23 ' A' ' 537' ' ' VAL . 74.5 p -99.39 148.31 24.34 Favored 'General case' 0 N--CA 1.444 -0.732 0 C-N-CA 119.869 -0.732 . . . . 0.35 109.266 -178.618 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 534' ' ' GLU . . . . . 0.585 ' HA ' HD11 ' A' ' 552' ' ' LEU . 36.9 mt-10 -67.67 -34.76 77.57 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-O 121.642 0.734 . . . . 1.64 109.42 -179.553 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 535' ' ' ASN . . . . . . . . . . . . . 10.2 t30 -61.87 -48.54 80.04 Favored 'General case' 0 N--CA 1.443 -0.791 0 CA-C-N 114.205 -1.361 . . . . 1.82 110.981 -176.678 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 536' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -71.05 -40.88 71.4 Favored 'General case' 0 N--CA 1.473 0.676 0 CA-C-O 121.146 0.498 . . . . 0.61 111.29 -176.091 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 537' ' ' VAL . . . . . 0.623 HG23 ' O ' ' A' ' 533' ' ' THR . 48.2 t -59.52 -48.14 88.36 Favored 'Isoleucine or valine' 0 C--O 1.242 0.66 0 CA-C-O 122.118 0.961 . . . . 0.15 109.701 179.158 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 538' ' ' ILE . . . . . 0.731 HG23 HG21 ' A' ' 547' ' ' VAL . 40.5 mt -68.68 -32.59 55.63 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.719 0 CA-C-N 115.246 -0.888 . . . . 0.23 111.671 175.197 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 539' ' ' ASN . . . . . 0.454 ' HA ' HD11 ' A' ' 615' ' ' ILE . 11.3 m120 -57.49 -26.79 61.81 Favored 'General case' 0 N--CA 1.469 0.498 0 N-CA-C 110.077 -0.342 . . . . 0.25 110.077 176.113 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 540' ' ' LEU . . . . . 0.553 ' HB3' ' OH ' ' A' ' 576' ' ' TYR . 87.9 mt -75.97 -43.07 46.33 Favored 'General case' 0 N--CA 1.448 -0.549 0 N-CA-C 109.82 -0.437 . . . . 0.27 109.82 174.269 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 541' ' ' GLY . . . . . 0.478 ' HA2' ' SD ' ' A' ' 572' ' ' MET . . . -65.69 -51.48 46.74 Favored Glycine 0 CA--C 1.526 0.725 0 N-CA-C 115.322 0.889 . . . . 0.19 115.322 -179.119 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 542' ' ' LEU . . . . . 0.48 ' HA ' ' O ' ' A' ' 545' ' ' GLY . 56.3 mt -57.12 -46.5 99.85 Favored Pre-proline 0 C--N 1.322 -0.616 0 N-CA-C 114.906 1.447 . . . . 0.2 114.906 -168.286 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 543' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -58.92 -26.67 82.02 Favored 'Trans proline' 0 C--N 1.349 0.562 0 C-N-CA 122.042 1.828 . . . . 0.23 113.514 -176.792 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 544' ' ' PHE . . . . . 0.502 ' HB2' ' HE2' ' A' ' 572' ' ' MET . 76.7 m-85 -98.01 -16.35 19.68 Favored 'General case' 0 C--N 1.33 -0.27 0 C-N-CA 120.69 -0.404 . . . . 0.33 110.826 178.939 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 545' ' ' GLY . . . . . 0.48 ' O ' ' HA ' ' A' ' 542' ' ' LEU . . . 173.59 161.26 23.47 Favored Glycine 0 C--O 1.226 -0.344 0 C-N-CA 120.763 -0.732 . . . . 0.44 112.281 178.62 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 546' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -67.78 133.59 49.51 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.112 0.482 . . . . 2.07 111.325 -177.181 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 547' ' ' VAL . . . . . 0.731 HG21 HG23 ' A' ' 538' ' ' ILE . 73.0 t -87.95 116.09 29.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 CA-C-N 115.41 -0.814 . . . . 0.2 110.347 175.379 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 548' ' ' THR . . . . . . . . . . . . . 22.8 p -91.49 -35.5 14.28 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.327 -0.397 . . . . 0.31 111.632 179.23 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 549' ' ' ASN . . . . . . . . . . . . . 9.5 m120 -143.97 152.9 41.68 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.916 0.389 . . . . 1.26 111.16 178.419 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 550' ' ' TYR . . . . . 0.708 ' CG ' HD11 ' A' ' 538' ' ' ILE . 1.6 p90 -151.41 149.94 29.87 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.638 -0.71 . . . . 0.31 109.843 176.901 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 551' ' ' ILE . . . . . 0.491 ' HB ' ' HB2' ' A' ' 560' ' ' PHE . 52.6 mt -146.37 124.0 4.09 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.51 0 N-CA-C 107.977 -1.12 . . . . 0.22 107.977 -178.98 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 552' ' ' LEU . . . . . 0.585 HD11 ' HA ' ' A' ' 534' ' ' GLU . 34.9 mt -108.19 126.78 53.19 Favored 'General case' 0 C--N 1.31 -1.141 0 C-N-CA 119.472 -0.891 . . . . 0.43 110.479 -179.76 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 553' ' ' MET . . . . . . . . . . . . . 71.0 mtm -108.94 82.03 1.54 Allowed 'General case' 0 C--N 1.32 -0.708 0 N-CA-C 108.211 -1.033 . . . . 1.03 108.211 176.924 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 554' ' ' LYS . . . . . 0.554 ' HD2' ' HB2' ' A' ' 532' ' ' CYS . 15.2 mmtm -53.32 -29.63 34.77 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 114.623 -1.171 . . . . 1.03 112.682 177.802 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 555' ' ' SER . . . . . . . . . . . . . 62.6 p -69.99 -42.19 73.41 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 120.678 0.275 . . . . 0.51 111.619 -175.029 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 556' ' ' THR . . . . . . . . . . . . . 43.4 p -98.38 4.8 48.54 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 112.199 0.444 . . . . 0.45 112.199 -175.517 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 557' ' ' ASN . . . . . . . . . . . . . 20.3 m120 59.55 39.28 21.75 Favored 'General case' 0 C--O 1.238 0.462 0 CA-C-O 121.314 0.578 . . . . 1.28 110.581 -177.718 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 558' ' ' GLN . . . . . . . . . . . . . 80.3 mt-30 -140.08 166.29 25.06 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.573 -0.74 . . . . 0.84 110.247 -176.147 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 559' ' ' ALA . . . . . 0.402 ' HB1' HD23 ' A' ' 552' ' ' LEU . . . -157.31 165.41 35.91 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 121.421 0.629 . . . . 0.16 112.303 -179.102 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 560' ' ' PHE . . . . . 0.491 ' HB2' ' HB ' ' A' ' 551' ' ' ILE . 95.4 m-85 -120.28 141.29 50.12 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.021 -0.99 . . . . 0.35 110.052 178.527 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 561' ' ' LEU . . . . . 0.509 HD22 HD11 ' A' ' 524' ' ' ILE . 64.4 tp -138.34 119.65 14.73 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.911 -0.586 . . . . 0.2 110.033 -179.706 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 562' ' ' GLU . . . . . 0.424 ' HB2' HD12 ' A' ' 599' ' ' LEU . 43.6 tt0 -100.46 130.86 46.6 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 121.603 0.716 . . . . 2.09 110.596 173.986 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 563' ' ' MET . . . . . 0.752 ' SD ' ' HA ' ' A' ' 569' ' ' ALA . 30.7 mtt -110.94 144.94 39.22 Favored 'General case' 0 C--N 1.314 -0.961 0 CA-C-N 114.419 -1.264 . . . . 0.39 108.452 -179.584 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 564' ' ' ALA . . . . . . . . . . . . . . . -58.8 -28.66 66.2 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 112.97 0.73 . . . . 0.5 112.97 -166.492 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 565' ' ' TYR . . . . . 0.413 ' CB ' ' HG2' ' A' ' 567' ' ' GLU . 91.9 m-85 -138.84 161.74 36.51 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.811 0.339 . . . . 1.15 110.388 179.685 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 566' ' ' THR . . . . . . . . . . . . . 10.1 t -67.43 -28.23 67.72 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.035 -0.53 . . . . 0.57 110.248 179.096 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 567' ' ' GLU . . . . . 0.472 ' HA ' ' OE1' ' A' ' 570' ' ' GLN . 8.2 pt-20 -58.64 -33.22 69.82 Favored 'General case' 0 C--O 1.231 0.088 0 CA-C-N 115.783 -0.644 . . . . 0.89 111.039 177.542 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 568' ' ' ALA . . . . . 0.656 ' O ' ' HG3' ' A' ' 572' ' ' MET . . . -74.21 -43.64 56.35 Favored 'General case' 0 N--CA 1.449 -0.511 0 CA-C-N 116.08 -0.509 . . . . 0.26 110.013 -178.665 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 569' ' ' ALA . . . . . 0.752 ' HA ' ' SD ' ' A' ' 563' ' ' MET . . . -63.26 -45.28 92.25 Favored 'General case' 0 N--CA 1.454 -0.234 0 CA-C-N 115.759 -0.655 . . . . 0.24 111.324 -176.224 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 570' ' ' GLN . . . . . 0.472 ' OE1' ' HA ' ' A' ' 567' ' ' GLU . 4.9 pt20 -67.32 -36.09 80.76 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.066 -0.515 . . . . 1.24 110.882 -179.052 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 571' ' ' ALA . . . . . . . . . . . . . . . -66.68 -45.56 78.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.393 -0.367 . . . . 0.31 111.222 -178.952 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 572' ' ' MET . . . . . 0.656 ' HG3' ' O ' ' A' ' 568' ' ' ALA . 20.9 mtt -68.53 -43.53 76.52 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.514 -0.312 . . . . 0.47 111.034 -176.621 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 573' ' ' VAL . . . . . 0.692 ' O ' ' HG2' ' A' ' 577' ' ' GLN . 70.4 t -59.08 -46.66 91.73 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.152 0 N-CA-C 110.261 -0.274 . . . . 0.34 110.261 179.342 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 574' ' ' GLN . . . . . . . . . . . . . 15.6 mm100 -61.56 -36.85 81.81 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.004 -0.544 . . . . 2.09 111.008 178.361 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 575' ' ' TYR . . . . . 0.487 ' CE2' ' HE3' ' A' ' 579' ' ' LYS . 70.6 t80 -64.6 -51.97 59.95 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.879 -0.6 . . . . 0.48 110.649 -179.326 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 576' ' ' TYR . . . . . 0.729 ' CE2' HD12 ' A' ' 590' ' ' ILE . 68.1 m-85 -72.64 -14.13 61.52 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 112.751 0.648 . . . . 0.36 112.751 -176.771 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 577' ' ' GLN . . . . . 0.692 ' HG2' ' O ' ' A' ' 573' ' ' VAL . 84.4 mm-40 -67.89 -42.43 81.23 Favored 'General case' 0 C--N 1.326 -0.425 0 C-N-CA 120.469 -0.492 . . . . 1.89 109.908 173.066 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 578' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -90.47 -38.65 13.11 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.153 -0.476 . . . . 2.14 111.505 178.907 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 579' ' ' LYS . . . . . 0.523 ' O ' ' HA ' ' A' ' 576' ' ' TYR . 52.2 mtmt -132.21 93.98 24.77 Favored Pre-proline 0 C--N 1.327 -0.403 0 N-CA-C 110.043 -0.355 . . . . 2.46 110.043 176.762 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 580' ' ' PRO . . . . . . . . . . . . . 57.3 Cg_endo -71.4 161.13 46.56 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.857 2.371 . . . . 0.37 112.242 -178.937 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 581' ' ' ALA . . . . . 0.603 ' HB2' ' CE1' ' A' ' 576' ' ' TYR . . . -90.53 128.94 36.71 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 109.722 -0.473 . . . . 0.27 109.722 178.872 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 582' ' ' ILE . . . . . . . . . . . . . 53.5 mt -103.08 119.58 51.71 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.8 0 CA-C-O 121.018 0.437 . . . . 0.51 111.094 -175.341 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 583' ' ' ILE . . . . . 0.419 HG13 HD11 ' A' ' 588' ' ' LEU . 32.0 mm -124.38 117.8 51.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 N-CA-C 109.27 -0.641 . . . . 0.51 109.27 176.669 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 584' ' ' ASN . . . . . . . . . . . . . 3.5 m-20 59.97 33.42 21.42 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-O 121.326 0.584 . . . . 1.1 110.278 -179.469 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 585' ' ' GLY . . . . . . . . . . . . . . . 79.17 3.88 88.61 Favored Glycine 0 N--CA 1.447 -0.598 0 CA-C-N 115.511 -0.768 . . . . 0.44 113.161 179.288 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 586' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -109.8 127.56 54.74 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.066 0.46 . . . . 1.79 110.806 -179.855 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 587' ' ' LYS . . . . . . . . . . . . . 53.4 mttp -75.72 124.89 28.02 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.519 -0.764 . . . . 1.67 111.412 -178.432 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 588' ' ' LEU . . . . . 0.511 HD12 HD11 ' A' ' 540' ' ' LEU . 60.0 mt -83.21 140.46 32.54 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.83 -0.623 . . . . 0.24 110.978 179.702 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 589' ' ' LEU . . . . . . . . . . . . . 55.9 tp -112.41 111.16 21.8 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.814 -0.63 . . . . 0.38 109.991 179.005 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 590' ' ' ILE . . . . . 0.729 HD12 ' CE2' ' A' ' 576' ' ' TYR . 16.3 mt -102.51 128.23 55.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-O 120.75 0.309 . . . . 0.26 110.24 176.657 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 591' ' ' ARG . . . . . . . . . . . . . 19.7 mtp180 -145.84 164.14 32.85 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.94 -0.573 . . . . 2.62 109.939 -176.055 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 592' ' ' MET . . . . . . . . . . . . . 60.8 mtt -82.28 148.77 28.17 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 120.949 0.404 . . . . 0.34 110.586 179.481 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 593' ' ' SER . . . . . 0.661 ' OG ' ' HB ' ' A' ' 521' ' ' VAL . 76.1 p -82.66 132.62 35.18 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.964 -0.562 . . . . 1.37 111.359 -175.016 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 594' ' ' THR . . . . . . . . . . . . . 18.9 p -90.99 -21.97 21.03 Favored 'General case' 0 C--N 1.315 -0.9 0 CA-C-N 115.548 -0.751 . . . . 0.38 111.46 176.194 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 595' ' ' ARG . . . . . . . . . . . . . 94.1 mtt180 -103.99 -31.32 9.78 Favored 'General case' 0 CA--C 1.534 0.331 0 N-CA-C 113.525 0.935 . . . . 2.75 113.525 -167.718 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 596' ' ' TYR . . . . . . . . . . . . . 67.6 m-85 -124.41 142.47 51.28 Favored 'General case' 0 N--CA 1.467 0.384 0 O-C-N 121.997 -0.439 . . . . 0.65 111.827 -176.774 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 597' ' ' LYS . . . . . 0.449 ' N ' ' HD2' ' A' ' 597' ' ' LYS . 8.5 mptt -109.15 -7.43 15.31 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.817 -0.628 . . . . 2.18 112.37 179.738 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 598' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -143.8 150.51 38.64 Favored 'General case' 0 C--N 1.328 -0.368 0 C-N-CA 120.414 -0.514 . . . . 0.95 110.735 -178.19 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 599' ' ' LEU . . . . . 0.554 HD21 HG13 ' A' ' 521' ' ' VAL . 33.5 mt -108.11 121.49 44.94 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.557 -0.747 . . . . 0.45 111.172 176.649 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 600' ' ' GLN . . . . . . . . . . . . . 28.6 tt0 -106.51 126.9 52.84 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.21 -0.905 . . . . 1.52 109.746 178.714 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 601' ' ' LEU . . . . . . . . . . . . . 94.1 mt -91.23 89.12 7.18 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.149 0.5 . . . . 0.46 111.226 -176.019 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 602' ' ' LYS . . . . . . . . . . . . . 45.2 mtpt -79.04 -19.01 52.5 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.256 0.551 . . . . 1.73 110.088 177.176 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 603' ' ' LYS . . . . . . . . . . . . . 34.3 mmtp . . . . . 0 C--N 1.324 -0.535 0 CA-C-N 115.733 -0.667 . . . . 1.69 109.983 179.629 . . . . . . . . 0 0 . 1 . 024 nuclear nobuild core ' A' A ' 607' ' ' ASN . . . . . . . . . . . . . 40.2 t-20 . . . . . 0 CA--C 1.518 -0.276 0 CA-C-O 121.18 0.514 . . . . 1.33 109.957 . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild core ' A' A ' 608' ' ' VAL . . . . . 0.555 HG11 ' HB ' ' A' ' 547' ' ' VAL . 97.9 t -127.03 -5.44 4.58 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.815 0 CA-C-O 121.962 0.887 . . . . 0.3 108.834 174.781 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 609' ' ' ALA . . . . . . . . . . . . . . . -70.04 -44.12 69.86 Favored 'General case' 0 C--O 1.236 0.358 0 CA-C-N 115.089 -0.96 . . . . 0.44 110.446 178.106 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 610' ' ' ALA . . . . . . . . . . . . . . . -61.11 -29.7 69.92 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.166 -0.925 . . . . 0.4 110.55 -179.317 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 611' ' ' ILE . . . . . 0.574 ' CD1' HD12 ' A' ' 538' ' ' ILE . 72.4 mt -71.41 -34.29 52.94 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.501 0 CA-C-N 115.576 -0.738 . . . . 0.25 109.927 -178.624 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 612' ' ' ILE . . . . . 0.442 HG12 HD13 ' A' ' 542' ' ' LEU . 65.7 mt -60.68 -43.21 94.46 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.174 0 N-CA-C 109.725 -0.472 . . . . 0.31 109.725 174.055 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 613' ' ' GLN . . . . . . . . . . . . . 24.8 mm-40 -66.48 -35.26 79.82 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.837 -0.62 . . . . 2.31 109.8 179.917 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 614' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -65.98 -40.22 91.01 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 114.978 -1.01 . . . . 1.95 110.475 -179.872 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 615' ' ' ILE . . . . . 0.469 HG13 ' O ' ' A' ' 611' ' ' ILE . 87.4 mt -59.64 -42.2 87.63 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.227 0 CA-C-N 116.4 -0.364 . . . . 0.35 110.425 176.652 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 616' ' ' HIS . . . . . . . . . . . . . 81.7 m-70 -65.88 -26.68 67.74 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.408 -0.36 . . . . 1.26 110.914 178.562 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 617' ' ' SER . . . . . . . . . . . . . 15.2 m . . . . . 0 C--N 1.327 -0.377 0 CA-C-O 120.92 0.39 . . . . 1.18 110.738 176.013 . . . . . . . . 0 0 . 1 . 025 nuclear nobuild core ' A' A ' 520' ' ' ARG . . . . . . . . . . . . . 49.0 mtm-85 . . . . . 0 CA--C 1.513 -0.446 0 CA-C-O 121.31 0.576 . . . . 2.22 111.031 . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild core ' A' A ' 521' ' ' VAL . . . . . 0.652 HG13 HD21 ' A' ' 599' ' ' LEU . 91.4 t -115.65 122.7 69.98 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.872 0 CA-C-N 115.145 -0.934 . . . . 0.32 110.349 170.465 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 522' ' ' VAL . . . . . 0.535 ' HB ' ' O ' ' A' ' 561' ' ' LEU . 22.3 t -120.66 121.2 64.74 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.732 0 N-CA-C 107.672 -1.233 . . . . 0.22 107.672 174.113 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 523' ' ' HIS . . . . . . . . . . . . . 40.7 t-80 -106.31 130.13 54.2 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-O 121.058 0.456 . . . . 0.44 110.12 -173.765 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 524' ' ' ILE . . . . . 0.496 HD11 HD22 ' A' ' 561' ' ' LEU . 31.5 mt -111.17 136.04 48.47 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.999 0 N-CA-C 108.717 -0.845 . . . . 0.19 108.717 178.621 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 525' ' ' CYS . . . . . 0.507 ' O ' ' HB2' ' A' ' 526' ' ' ASN . 1.8 p -139.03 166.61 24.06 Favored 'General case' 0 C--N 1.311 -1.092 0 C-N-CA 120.684 -0.406 . . . . 1.17 111.3 -173.764 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 526' ' ' ASN . . . . . 0.507 ' HB2' ' O ' ' A' ' 525' ' ' CYS . 95.5 m-20 87.39 28.25 0.03 OUTLIER 'General case' 0 N--CA 1.468 0.462 0 O-C-N 124.983 1.427 . . . . 0.26 110.291 178.041 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 527' ' ' LEU . . . . . 0.431 ' HA ' ' HD3' ' A' ' 528' ' ' PRO . 81.3 mt -87.49 125.58 64.96 Favored Pre-proline 0 N--CA 1.449 -0.524 0 CA-C-N 115.207 -0.906 . . . . 0.25 108.86 177.036 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 528' ' ' PRO . . . . . 0.431 ' HD3' ' HA ' ' A' ' 527' ' ' LEU . 6.9 Cg_exo -70.56 134.6 26.64 Favored 'Trans proline' 0 N--CA 1.46 -0.499 0 C-N-CA 121.727 1.618 . . . . 0.38 111.566 -178.873 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 529' ' ' GLU . . . . . 0.409 ' HB2' ' ND2' ' A' ' 557' ' ' ASN . 52.9 tt0 -66.06 133.82 51.56 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.155 -0.475 . . . . 1.6 109.721 178.782 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 530' ' ' GLY . . . . . . . . . . . . . . . 87.64 3.55 80.73 Favored Glycine 0 N--CA 1.446 -0.639 0 C-N-CA 120.305 -0.95 . . . . 0.48 111.13 -173.382 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 531' ' ' SER . . . . . . . . . . . . . 57.3 m -149.05 17.86 0.97 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.005 0.431 . . . . 1.08 110.73 -177.167 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 532' ' ' CYS . . . . . 0.414 ' HB2' ' HD2' ' A' ' 554' ' ' LYS . 57.3 m -92.02 95.2 9.65 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 108.921 -0.77 . . . . 0.25 108.921 177.0 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 533' ' ' THR . . . . . 0.563 ' O ' HG23 ' A' ' 537' ' ' VAL . 81.1 p -106.92 150.2 26.68 Favored 'General case' 0 C--N 1.322 -0.609 0 C-N-CA 120.372 -0.531 . . . . 0.35 110.114 -177.737 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 534' ' ' GLU . . . . . 0.569 ' N ' HD11 ' A' ' 552' ' ' LEU . 37.2 mt-10 -67.48 -35.84 79.94 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.354 0.597 . . . . 1.64 110.065 -178.93 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 535' ' ' ASN . . . . . . . . . . . . . 54.9 t30 -63.21 -48.55 77.83 Favored 'General case' 0 C--O 1.215 -0.754 0 CA-C-N 114.847 -1.069 . . . . 1.82 111.232 -173.737 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 536' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -70.66 -40.9 72.73 Favored 'General case' 0 N--CA 1.469 0.478 0 CA-C-O 121.207 0.527 . . . . 0.61 111.438 -173.701 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 537' ' ' VAL . . . . . 0.563 HG23 ' O ' ' A' ' 533' ' ' THR . 38.3 t -59.77 -47.92 89.53 Favored 'Isoleucine or valine' 0 C--O 1.241 0.656 0 CA-C-O 122.149 0.976 . . . . 0.15 109.575 179.2 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 538' ' ' ILE . . . . . 0.617 HD11 ' CG ' ' A' ' 550' ' ' TYR . 66.6 mt -68.43 -33.28 59.36 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.728 0 CA-C-N 114.936 -1.029 . . . . 0.23 111.364 175.799 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 539' ' ' ASN . . . . . 0.535 ' HA ' HD11 ' A' ' 615' ' ' ILE . 11.1 m120 -57.35 -27.73 62.52 Favored 'General case' 0 CA--C 1.51 -0.56 0 N-CA-C 110.08 -0.341 . . . . 0.25 110.08 177.108 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 540' ' ' LEU . . . . . 0.66 HD11 HD12 ' A' ' 588' ' ' LEU . 40.5 mt -76.62 -41.42 46.05 Favored 'General case' 0 C--N 1.321 -0.638 0 C-N-CA 120.704 -0.398 . . . . 0.27 110.37 174.433 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 541' ' ' GLY . . . . . 0.496 ' HA3' HD21 ' A' ' 561' ' ' LEU . . . -64.57 -51.2 54.21 Favored Glycine 0 CA--C 1.527 0.801 0 N-CA-C 115.814 1.086 . . . . 0.19 115.814 -179.753 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 542' ' ' LEU . . . . . 0.508 HD13 ' CG1' ' A' ' 612' ' ' ILE . 54.7 mt -62.08 -42.73 83.33 Favored Pre-proline 0 C--N 1.319 -0.749 0 N-CA-C 115.448 1.647 . . . . 0.2 115.448 -168.326 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 543' ' ' PRO . . . . . 0.4 ' HG3' HG21 ' A' ' 615' ' ' ILE . 50.7 Cg_exo -60.18 -26.73 83.3 Favored 'Trans proline' 0 CA--C 1.531 0.329 0 C-N-CA 121.547 1.498 . . . . 0.23 113.362 -178.12 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 544' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -102.47 -15.09 16.58 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 112.148 0.425 . . . . 0.33 112.148 -179.555 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 545' ' ' GLY . . . . . 0.442 ' O ' ' HA ' ' A' ' 542' ' ' LEU . . . -171.59 -175.53 39.99 Favored Glycine 0 C--O 1.224 -0.476 0 C-N-CA 120.089 -1.053 . . . . 0.44 112.599 -177.074 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 546' ' ' LYS . . . . . . . . . . . . . 25.1 ttmm -94.99 122.74 37.95 Favored 'General case' 0 C--N 1.318 -0.775 0 N-CA-C 109.854 -0.425 . . . . 2.07 109.854 -178.152 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 547' ' ' VAL . . . . . 0.589 ' HB ' HG11 ' A' ' 608' ' ' VAL . 83.1 t -88.96 113.46 25.62 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.63 0 CA-C-O 121.316 0.579 . . . . 0.2 110.271 175.289 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 548' ' ' THR . . . . . . . . . . . . . 21.4 p -98.35 -34.97 10.46 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-N 115.536 -0.756 . . . . 0.31 111.544 177.975 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 549' ' ' ASN . . . . . 0.458 ' HB2' ' HB3' ' A' ' 562' ' ' GLU . 7.0 m-20 -140.5 150.59 43.94 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.011 -0.541 . . . . 1.26 110.324 -178.657 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 550' ' ' TYR . . . . . 0.617 ' CG ' HD11 ' A' ' 538' ' ' ILE . 1.2 p90 -151.82 150.78 30.51 Favored 'General case' 0 C--N 1.317 -0.827 0 CA-C-N 115.449 -0.796 . . . . 0.31 109.008 179.348 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 551' ' ' ILE . . . . . 0.437 ' HB ' ' HB2' ' A' ' 560' ' ' PHE . 47.8 mt -144.4 123.38 6.8 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 N-CA-C 108.246 -1.02 . . . . 0.22 108.246 -176.529 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 552' ' ' LEU . . . . . 0.569 HD11 ' N ' ' A' ' 534' ' ' GLU . 23.8 mt -107.56 122.28 46.35 Favored 'General case' 0 C--N 1.317 -0.846 0 C-N-CA 120.117 -0.633 . . . . 0.43 109.954 -179.475 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 553' ' ' MET . . . . . . . . . . . . . 53.6 mtm -109.0 82.49 1.6 Allowed 'General case' 0 C--N 1.316 -0.867 0 N-CA-C 108.592 -0.892 . . . . 1.03 108.592 179.529 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 554' ' ' LYS . . . . . 0.414 ' HD2' ' HB2' ' A' ' 532' ' ' CYS . 24.7 mmtp -54.08 -29.96 46.48 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 114.483 -1.235 . . . . 1.03 112.643 178.212 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 555' ' ' SER . . . . . . . . . . . . . 61.2 p -69.99 -41.39 74.46 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 120.808 0.337 . . . . 0.51 111.031 -174.925 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 556' ' ' THR . . . . . . . . . . . . . 71.6 p -98.08 3.85 49.23 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 112.304 0.483 . . . . 0.45 112.304 -177.3 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 557' ' ' ASN . . . . . 0.505 ' N ' HD22 ' A' ' 557' ' ' ASN . 0.8 OUTLIER 58.74 38.72 24.83 Favored 'General case' 0 N--CA 1.47 0.57 0 CA-C-O 121.563 0.697 . . . . 1.28 110.367 -178.868 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 558' ' ' GLN . . . . . . . . . . . . . 42.6 mt-30 -142.04 168.05 20.68 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.303 -0.862 . . . . 0.84 110.154 -176.682 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 559' ' ' ALA . . . . . 0.426 ' HB1' HD23 ' A' ' 552' ' ' LEU . . . -156.94 165.1 37.12 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.118 0.485 . . . . 0.16 111.686 -176.932 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 560' ' ' PHE . . . . . 0.437 ' HB2' ' HB ' ' A' ' 551' ' ' ILE . 85.1 m-85 -120.98 149.91 41.94 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.875 -0.602 . . . . 0.35 111.337 176.737 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 561' ' ' LEU . . . . . 0.535 ' O ' ' HB ' ' A' ' 522' ' ' VAL . 51.4 tp -137.22 120.44 16.79 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.289 -0.869 . . . . 0.2 109.897 -178.845 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 562' ' ' GLU . . . . . 0.458 ' HB3' ' HB2' ' A' ' 549' ' ' ASN . 31.3 tt0 -98.94 132.86 43.94 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.345 0.593 . . . . 2.09 110.612 179.031 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 563' ' ' MET . . . . . 0.624 ' SD ' ' HA ' ' A' ' 569' ' ' ALA . 39.0 mtt -118.78 152.85 35.43 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 114.943 -1.026 . . . . 0.39 109.142 -177.418 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 564' ' ' ALA . . . . . . . . . . . . . . . -76.83 -20.06 56.8 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.333 -0.394 . . . . 0.5 111.86 -169.212 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 565' ' ' TYR . . . . . 0.424 ' HB3' ' HG2' ' A' ' 567' ' ' GLU . 91.5 m-85 -141.7 151.86 43.35 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.388 -0.369 . . . . 1.15 110.383 179.917 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 566' ' ' THR . . . . . . . . . . . . . 15.0 t -67.76 -27.63 66.94 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-N 115.686 -0.688 . . . . 0.57 110.454 -178.671 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 567' ' ' GLU . . . . . 0.592 ' HA ' HE21 ' A' ' 570' ' ' GLN . 7.7 pt-20 -58.77 -31.81 68.71 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-N 116.005 -0.543 . . . . 0.89 111.343 176.011 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 568' ' ' ALA . . . . . 0.653 ' O ' ' HG3' ' A' ' 572' ' ' MET . . . -72.97 -42.56 63.23 Favored 'General case' 0 N--CA 1.449 -0.488 0 CA-C-N 116.278 -0.419 . . . . 0.26 110.22 -177.653 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 569' ' ' ALA . . . . . 0.624 ' HA ' ' SD ' ' A' ' 563' ' ' MET . . . -64.09 -45.9 86.63 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.925 -0.579 . . . . 0.24 111.535 -175.908 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 570' ' ' GLN . . . . . 0.592 HE21 ' HA ' ' A' ' 567' ' ' GLU . 25.5 pt20 -69.11 -36.1 77.16 Favored 'General case' 0 C--N 1.328 -0.338 0 C-N-CA 120.697 -0.401 . . . . 1.24 110.707 -178.346 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 571' ' ' ALA . . . . . . . . . . . . . . . -64.39 -44.11 92.36 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.241 -0.436 . . . . 0.31 111.06 -179.777 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 572' ' ' MET . . . . . 0.653 ' HG3' ' O ' ' A' ' 568' ' ' ALA . 28.4 mtt -67.82 -41.49 82.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.439 -0.346 . . . . 0.47 110.506 -179.207 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 573' ' ' VAL . . . . . 0.534 HG23 ' O ' ' A' ' 569' ' ' ALA . 82.0 t -58.54 -45.96 90.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 N-CA-C 110.039 -0.356 . . . . 0.34 110.039 177.817 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 574' ' ' GLN . . . . . . . . . . . . . 15.3 mm-40 -60.98 -40.3 92.92 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.39 -0.368 . . . . 2.09 110.989 178.463 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 575' ' ' TYR . . . . . . . . . . . . . 76.5 t80 -68.0 -53.03 29.02 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 116.057 -0.52 . . . . 0.48 110.928 -177.685 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 576' ' ' TYR . . . . . 0.471 ' CD2' HD12 ' A' ' 590' ' ' ILE . 93.2 m-85 -75.04 -12.61 60.36 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 112.971 0.73 . . . . 0.36 112.971 -174.96 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 577' ' ' GLN . . . . . 0.473 ' HA ' ' OE1' ' A' ' 577' ' ' GLN . 12.4 mm-40 -74.22 -41.42 61.4 Favored 'General case' 0 C--N 1.323 -0.557 0 C-N-CA 120.282 -0.567 . . . . 1.89 110.173 171.261 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 578' ' ' GLU . . . . . . . . . . . . . 48.6 mt-10 -87.39 -37.75 16.78 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.353 -0.385 . . . . 2.14 111.318 179.329 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 579' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -133.21 85.4 44.83 Favored Pre-proline 0 C--N 1.326 -0.424 0 CA-C-O 120.765 0.317 . . . . 2.46 110.269 176.898 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 580' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo -70.12 161.89 44.3 Favored 'Trans proline' 0 C--O 1.236 0.38 0 C-N-CA 123.147 2.564 . . . . 0.37 112.759 -179.793 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 581' ' ' ALA . . . . . . . . . . . . . . . -92.85 137.9 31.96 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.03 -0.532 . . . . 0.27 110.353 -178.924 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 582' ' ' ILE . . . . . . . . . . . . . 65.5 mt -98.94 122.03 50.2 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.682 0 CA-C-O 120.945 0.403 . . . . 0.51 111.116 -177.344 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 583' ' ' ILE . . . . . 0.606 HG13 HD11 ' A' ' 588' ' ' LEU . 28.5 mm -126.89 112.29 28.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 115.979 -0.555 . . . . 0.51 109.908 175.296 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 584' ' ' ASN . . . . . . . . . . . . . 51.4 m-80 53.73 39.71 30.59 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-O 121.482 0.658 . . . . 1.1 111.03 -179.483 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 585' ' ' GLY . . . . . . . . . . . . . . . 84.62 0.12 89.24 Favored Glycine 0 N--CA 1.445 -0.737 0 CA-C-N 114.958 -1.019 . . . . 0.44 113.926 175.149 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 586' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -114.63 127.75 55.94 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 117.263 0.531 . . . . 1.79 111.005 -179.89 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 587' ' ' LYS . . . . . . . . . . . . . 96.3 mttt -73.3 130.13 39.53 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.723 -0.671 . . . . 1.67 111.327 179.548 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 588' ' ' LEU . . . . . 0.66 HD12 HD11 ' A' ' 540' ' ' LEU . 33.5 mt -85.54 141.2 30.04 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.011 -0.541 . . . . 0.24 111.032 179.689 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 589' ' ' LEU . . . . . 0.417 ' HB3' ' SG ' ' A' ' 525' ' ' CYS . 61.1 tp -112.7 112.41 23.91 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.825 -0.625 . . . . 0.38 110.486 178.213 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 590' ' ' ILE . . . . . 0.471 HD12 ' CD2' ' A' ' 576' ' ' TYR . 23.5 mt -99.89 120.21 48.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 N-CA-C 109.899 -0.408 . . . . 0.26 109.899 175.217 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 591' ' ' ARG . . . . . . . . . . . . . 58.1 mtp180 -147.46 165.36 30.51 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.242 -0.436 . . . . 2.62 110.332 -176.643 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 592' ' ' MET . . . . . . . . . . . . . 52.0 mtt -83.29 139.44 33.07 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 109.73 -0.47 . . . . 0.34 109.73 179.473 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 593' ' ' SER . . . . . . . . . . . . . 37.7 t -78.46 139.98 38.67 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.365 0.602 . . . . 1.37 110.965 -178.473 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 594' ' ' THR . . . . . . . . . . . . . 21.0 p -90.21 -13.02 36.34 Favored 'General case' 0 C--N 1.316 -0.875 0 CA-C-N 114.934 -1.03 . . . . 0.38 111.493 -178.98 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 595' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -101.73 -27.46 13.03 Favored 'General case' 0 C--O 1.234 0.26 0 N-CA-C 113.055 0.761 . . . . 2.75 113.055 -169.671 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 596' ' ' TYR . . . . . . . . . . . . . 98.3 m-85 -129.04 148.24 50.98 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 112.411 0.523 . . . . 0.65 112.411 -175.227 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 597' ' ' LYS . . . . . . . . . . . . . 9.2 mptt -108.81 -8.72 15.28 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.326 -0.852 . . . . 2.18 111.574 176.456 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 598' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -142.85 150.47 39.94 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.135 0.493 . . . . 0.95 111.258 -177.752 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 599' ' ' LEU . . . . . 0.652 HD21 HG13 ' A' ' 521' ' ' VAL . 81.6 mt -115.34 123.65 49.26 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.288 -0.869 . . . . 0.45 110.683 176.584 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 600' ' ' GLN . . . . . . . . . . . . . 22.6 tt0 -113.87 121.98 45.64 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.305 -0.407 . . . . 1.52 110.459 179.468 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 601' ' ' LEU . . . . . 0.45 ' HG ' ' ND2' ' A' ' 549' ' ' ASN . 80.5 mt -72.46 100.64 2.75 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.864 0.364 . . . . 0.46 111.188 178.954 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 602' ' ' LYS . . . . . . . . . . . . . 94.3 mttt -83.01 -14.91 53.08 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.489 0.661 . . . . 1.73 109.474 171.352 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 603' ' ' LYS . . . . . . . . . . . . . 34.9 mmtp . . . . . 0 C--N 1.322 -0.615 0 CA-C-N 115.146 -0.933 . . . . 1.69 108.793 175.446 . . . . . . . . 0 0 . 1 . 025 nuclear nobuild core ' A' A ' 607' ' ' ASN . . . . . . . . . . . . . 28.0 t-20 . . . . . 0 C--O 1.231 0.13 0 CA-C-O 121.258 0.552 . . . . 1.33 110.752 . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild core ' A' A ' 608' ' ' VAL . . . . . 0.589 HG11 ' HB ' ' A' ' 547' ' ' VAL . 72.5 t -86.45 -20.35 7.86 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-N 115.498 -0.773 . . . . 0.3 111.002 -176.204 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 609' ' ' ALA . . . . . . . . . . . . . . . -61.35 -32.56 72.46 Favored 'General case' 0 C--O 1.238 0.491 0 CA-C-O 121.333 0.587 . . . . 0.44 111.097 177.396 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 610' ' ' ALA . . . . . . . . . . . . . . . -64.96 -27.59 68.94 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.968 -0.56 . . . . 0.4 110.204 177.217 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 611' ' ' ILE . . . . . 0.439 ' O ' HG13 ' A' ' 615' ' ' ILE . 76.0 mt -71.54 -30.47 39.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-N 115.798 -0.637 . . . . 0.25 110.107 178.401 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 612' ' ' ILE . . . . . 0.508 ' CG1' HD13 ' A' ' 542' ' ' LEU . 61.4 mt -60.47 -43.71 94.81 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.247 0 N-CA-C 109.55 -0.537 . . . . 0.31 109.55 171.993 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 613' ' ' GLN . . . . . . . . . . . . . 25.7 mt-30 -62.62 -33.9 75.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.559 -0.746 . . . . 2.31 110.158 177.465 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 614' ' ' ASP . . . . . . . . . . . . . 23.4 t70 -65.97 -44.8 83.88 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.234 -0.894 . . . . 1.95 110.607 179.374 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 615' ' ' ILE . . . . . 0.535 HD11 ' HA ' ' A' ' 539' ' ' ASN . 83.9 mt -62.1 -47.41 93.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 115.881 -0.6 . . . . 0.35 110.768 -179.989 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 616' ' ' HIS . . . . . . . . . . . . . 20.0 m-70 -63.47 -31.42 72.57 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.008 -0.542 . . . . 1.26 111.214 -179.452 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 617' ' ' SER . . . . . . . . . . . . . 64.2 m . . . . . 0 C--N 1.328 -0.357 0 CA-C-N 116.659 -0.246 . . . . 1.18 110.658 176.038 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 1' ' ' ADN . . . . . 0.606 ' C6 ' HG21 ' A' ' 594' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 2' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.879 0 C3'-C2'-C1' 100.224 -1.417 . 0.0 '__' . 2.99 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 3' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.846 0 C3'-C2'-C1' 100.54 -1.067 . 0.0 OUTLIER . 1.58 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 4' ' ' ' U' . . . . . 0.459 ' O4 ' ' HA ' ' A' ' 599' ' ' LEU . . . . . . . . 0 O5'--C5' 1.427 -0.838 0 C3'-C2'-C1' 99.885 -1.795 . 0.0 OUTLIER gamma 1.15 . . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 5' ' ' ' U' . . . . . 0.657 ' N3 ' HG23 ' A' ' 551' ' ' ILE . . . . . . . . 0 O5'--C5' 1.426 -0.879 0 C3'-C2'-C1' 99.974 -1.695 . 0.294 0b . 1.33 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 6' ' ' ' A' . . . . . 0.475 " C5'" ' HB2' ' A' ' 554' ' ' LYS . . . . . . . . 0 O5'--C5' 1.428 -0.741 0 C4'-C3'-C2' 103.437 0.737 . 0.0 OUTLIER . 4.23 . . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 510' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.693 0 N-CA-C 112.06 -0.416 . . . . 8.88 112.06 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 511' ' ' ALA . . . . . . . . . . . . . . . 62.73 16.54 9.06 Favored 'General case' 0 N--CA 1.466 0.337 0 C-N-CA 122.884 0.474 . . . . 6.64 111.924 178.32 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 512' ' ' MET . . . . . . . . . . . . . 64.4 ttp -80.0 -46.21 17.04 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.283 0.563 . . . . 6.33 109.753 178.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 513' ' ' ALA . . . . . . . . . . . . . . . -87.7 72.6 9.47 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.699 -0.682 . . . . 4.2 109.864 178.097 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 514' ' ' GLN . . . . . 0.419 ' NE2' ' HA ' ' A' ' 594' ' ' THR . 96.9 mt-30 72.62 153.72 0.14 Allowed 'General case' 0 N--CA 1.464 0.273 0 CA-C-N 115.392 -0.822 . . . . 2.88 111.384 -179.027 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 515' ' ' ARG . . . . . . . . . . . . . 32.6 mmt180 -85.63 62.86 7.73 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.694 -0.684 . . . . 4.0 110.617 -178.456 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 516' ' ' LYS . . . . . . . . . . . . . 71.9 mmtt -94.09 61.12 2.89 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.009 0.433 . . . . 1.89 110.226 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 517' ' ' GLY . . . . . . . . . . . . . . . -135.18 -68.52 0.07 OUTLIER Glycine 0 N--CA 1.45 -0.415 0 N-CA-C 111.028 -0.829 . . . . 2.04 111.028 177.674 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 518' ' ' ALA . . . . . . . . . . . . . . . -86.25 67.33 9.91 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 108.717 -0.846 . . . . 1.75 108.717 172.201 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 519' ' ' GLY . . . . . . . . . . . . . . . 119.88 123.47 3.11 Favored Glycine 0 N--CA 1.441 -0.974 0 N-CA-C 110.647 -0.981 . . . . 0.67 110.647 -171.563 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 520' ' ' ARG . . . . . . . . . . . . . 13.3 mtm-85 -134.03 135.41 43.36 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 121.005 0.431 . . . . 2.22 110.44 176.795 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 521' ' ' VAL . . . . . 0.694 HG13 HD21 ' A' ' 599' ' ' LEU . 94.8 t -116.77 121.01 66.75 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.703 0 CA-C-N 115.913 -0.585 . . . . 0.32 110.038 167.731 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 522' ' ' VAL . . . . . 0.617 ' HB ' ' O ' ' A' ' 561' ' ' LEU . 28.3 t -120.3 121.32 65.37 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.882 0 N-CA-C 107.639 -1.245 . . . . 0.22 107.639 175.457 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 523' ' ' HIS . . . . . . . . . . . . . 45.1 t-80 -105.57 130.44 53.62 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-O 121.176 0.512 . . . . 0.44 110.651 -172.65 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 524' ' ' ILE . . . . . 0.417 HG12 HG12 ' A' ' 590' ' ' ILE . 27.5 mt -111.23 142.43 23.66 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.882 0 N-CA-C 108.223 -1.029 . . . . 0.19 108.223 176.759 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 525' ' ' CYS . . . . . 0.475 ' O ' ' HB2' ' A' ' 526' ' ' ASN . 1.3 p -143.29 166.05 25.79 Favored 'General case' 0 C--N 1.313 -1.004 0 C-N-CA 120.325 -0.55 . . . . 1.17 111.526 -176.748 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 526' ' ' ASN . . . . . 0.475 ' HB2' ' O ' ' A' ' 525' ' ' CYS . 86.5 m-20 87.38 27.32 0.04 OUTLIER 'General case' 0 N--CA 1.467 0.385 0 O-C-N 125.154 1.533 . . . . 0.26 110.042 179.135 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 527' ' ' LEU . . . . . 0.444 ' HA ' ' HD3' ' A' ' 528' ' ' PRO . 80.5 mt -92.22 123.27 63.0 Favored Pre-proline 0 C--N 1.327 -0.412 0 CA-C-N 115.247 -0.888 . . . . 0.25 109.027 177.206 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 528' ' ' PRO . . . . . 0.444 ' HD3' ' HA ' ' A' ' 527' ' ' LEU . 3.2 Cg_exo -74.19 135.25 20.44 Favored 'Trans proline' 0 N--CA 1.46 -0.499 0 C-N-CA 121.829 1.686 . . . . 0.38 111.973 -177.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 529' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -64.34 129.31 39.44 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 109.37 -0.604 . . . . 1.6 109.37 174.619 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 530' ' ' GLY . . . . . . . . . . . . . . . 93.65 4.29 63.89 Favored Glycine 0 N--CA 1.445 -0.763 0 C-N-CA 120.211 -0.995 . . . . 0.48 110.639 -171.888 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 531' ' ' SER . . . . . . . . . . . . . 48.0 m -149.19 7.65 0.7 Allowed 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.23 -0.485 . . . . 1.08 110.223 -179.119 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 532' ' ' CYS . . . . . 0.537 ' HB2' ' HD2' ' A' ' 554' ' ' LYS . 66.8 m -89.27 86.54 6.86 Favored 'General case' 0 CA--C 1.515 -0.375 0 N-CA-C 108.789 -0.819 . . . . 0.25 108.789 177.254 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 533' ' ' THR . . . . . 0.525 ' O ' HG23 ' A' ' 537' ' ' VAL . 72.4 p -98.03 147.45 24.51 Favored 'General case' 0 N--CA 1.442 -0.851 0 C-N-CA 119.999 -0.68 . . . . 0.35 109.787 -178.066 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 534' ' ' GLU . . . . . 0.665 ' HA ' HD11 ' A' ' 552' ' ' LEU . 35.2 mt-10 -68.55 -36.15 78.41 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.55 0.69 . . . . 1.64 110.279 -177.207 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 535' ' ' ASN . . . . . . . . . . . . . 4.7 t-20 -66.0 -46.73 76.92 Favored 'General case' 0 C--O 1.216 -0.68 0 CA-C-N 114.602 -1.181 . . . . 1.82 110.833 -175.376 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 536' ' ' ASP . . . . . 0.44 ' HA ' ' OD1' ' A' ' 539' ' ' ASN . 1.3 m-20 -71.31 -41.79 69.44 Favored 'General case' 0 N--CA 1.474 0.75 0 CA-C-O 121.112 0.482 . . . . 0.61 111.893 -172.137 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 537' ' ' VAL . . . . . 0.525 HG23 ' O ' ' A' ' 533' ' ' THR . 45.8 t -58.97 -46.52 91.49 Favored 'Isoleucine or valine' 0 C--O 1.242 0.686 0 CA-C-O 122.267 1.032 . . . . 0.15 109.335 178.344 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 538' ' ' ILE . . . . . 0.641 HD11 ' CG ' ' A' ' 550' ' ' TYR . 27.6 mt -67.85 -32.37 56.18 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.789 0 CA-C-N 114.914 -1.039 . . . . 0.23 111.398 174.592 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 539' ' ' ASN . . . . . 0.484 ' HA ' HD11 ' A' ' 615' ' ' ILE . 11.1 m120 -57.69 -28.21 63.6 Favored 'General case' 0 CA--C 1.513 -0.474 0 N-CA-C 110.427 -0.212 . . . . 0.25 110.427 177.422 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 540' ' ' LEU . . . . . 0.454 HD11 HD12 ' A' ' 588' ' ' LEU . 83.4 mt -75.79 -42.64 49.51 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 109.613 -0.514 . . . . 0.27 109.613 173.91 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 541' ' ' GLY . . . . . 0.442 ' CA ' HD21 ' A' ' 561' ' ' LEU . . . -64.44 -52.75 40.7 Favored Glycine 0 CA--C 1.525 0.709 0 N-CA-C 115.714 1.046 . . . . 0.19 115.714 -178.678 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 542' ' ' LEU . . . . . 0.507 ' HA ' ' O ' ' A' ' 545' ' ' GLY . 42.5 mt -57.63 -46.15 99.78 Favored Pre-proline 0 C--N 1.32 -0.68 0 N-CA-C 115.056 1.502 . . . . 0.2 115.056 -168.386 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 543' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_exo -60.1 -26.12 81.64 Favored 'Trans proline' 0 C--N 1.347 0.459 0 C-N-CA 122.059 1.84 . . . . 0.23 113.603 -177.592 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 544' ' ' PHE . . . . . 0.456 ' HB2' ' HE2' ' A' ' 572' ' ' MET . 94.0 m-85 -98.6 -14.78 19.74 Favored 'General case' 0 C--N 1.331 -0.221 0 O-C-N 121.848 -0.533 . . . . 0.33 111.145 177.682 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 545' ' ' GLY . . . . . 0.507 ' O ' ' HA ' ' A' ' 542' ' ' LEU . . . 176.27 152.71 9.86 Favored Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.893 -0.67 . . . . 0.44 111.973 179.744 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 546' ' ' LYS . . . . . . . . . . . . . 7.0 ttpm? -66.31 129.34 39.51 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.024 0.44 . . . . 2.07 111.0 -178.113 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 547' ' ' VAL . . . . . 0.625 HG21 HG23 ' A' ' 538' ' ' ILE . 69.0 t -86.35 116.24 28.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 115.744 -0.662 . . . . 0.2 110.897 179.631 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 548' ' ' THR . . . . . . . . . . . . . 23.5 p -92.83 -36.18 12.99 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.992 -0.549 . . . . 0.31 111.725 179.742 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 549' ' ' ASN . . . . . 0.517 ' HB2' ' CB ' ' A' ' 562' ' ' GLU . 19.6 m120 -143.33 156.19 44.64 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.142 -0.481 . . . . 1.26 110.259 -178.25 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 550' ' ' TYR . . . . . 0.641 ' CG ' HD11 ' A' ' 538' ' ' ILE . 3.3 p90 -161.31 150.59 16.49 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 116.11 -0.496 . . . . 0.31 109.816 178.553 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 551' ' ' ILE . . . . . 0.657 HG23 ' N3 ' ' B' ' 5' ' ' ' U' . 48.0 mt -144.42 123.3 6.68 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 N-CA-C 108.261 -1.015 . . . . 0.22 108.261 -175.778 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 552' ' ' LEU . . . . . 0.665 HD11 ' HA ' ' A' ' 534' ' ' GLU . 30.4 mt -108.78 120.45 42.52 Favored 'General case' 0 C--N 1.315 -0.892 0 C-N-CA 119.72 -0.792 . . . . 0.43 110.314 -179.038 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 553' ' ' MET . . . . . 0.54 ' HA ' " H4'" ' B' ' 5' ' ' ' U' . 64.4 mtm -108.16 82.81 1.69 Allowed 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 108.545 -0.909 . . . . 1.03 108.545 -179.115 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 554' ' ' LYS . . . . . 0.537 ' HD2' ' HB2' ' A' ' 532' ' ' CYS . 11.7 mmtm -53.35 -27.9 26.07 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 114.367 -1.288 . . . . 1.03 112.122 176.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 555' ' ' SER . . . . . . . . . . . . . 65.3 p -69.59 -42.6 74.22 Favored 'General case' 0 N--CA 1.448 -0.526 0 CA-C-O 120.684 0.278 . . . . 0.51 111.518 -174.311 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 556' ' ' THR . . . . . 0.429 ' O ' ' HG3' ' A' ' 558' ' ' GLN . 40.7 p -99.23 5.63 46.61 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 112.535 0.568 . . . . 0.45 112.535 -177.419 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 557' ' ' ASN . . . . . . . . . . . . . 38.1 m-80 59.24 39.12 23.04 Favored 'General case' 0 N--CA 1.471 0.581 0 CA-C-O 121.778 0.799 . . . . 1.28 110.217 -177.411 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 558' ' ' GLN . . . . . 0.429 ' HG3' ' O ' ' A' ' 556' ' ' THR . 76.7 mt-30 -141.21 166.61 24.3 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.033 -0.985 . . . . 0.84 109.873 -175.118 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 559' ' ' ALA . . . . . 0.438 ' HB1' HD23 ' A' ' 552' ' ' LEU . . . -157.39 165.82 34.73 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.351 0.596 . . . . 0.16 111.87 -178.5 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 560' ' ' PHE . . . . . 0.453 ' HB2' ' HB ' ' A' ' 551' ' ' ILE . 90.2 m-85 -120.68 143.76 48.55 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 115.445 -0.798 . . . . 0.35 110.422 176.286 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 561' ' ' LEU . . . . . 0.617 ' O ' ' HB ' ' A' ' 522' ' ' VAL . 64.5 tp -134.52 118.13 16.96 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.052 -0.522 . . . . 0.2 109.913 179.18 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 562' ' ' GLU . . . . . 0.517 ' CB ' ' HB2' ' A' ' 549' ' ' ASN . 0.2 OUTLIER -102.74 136.52 42.42 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.804 -0.635 . . . . 2.09 110.02 179.345 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 563' ' ' MET . . . . . 0.623 ' SD ' ' HA ' ' A' ' 569' ' ' ALA . 31.7 mtt -122.32 163.93 18.82 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 115.525 -0.761 . . . . 0.39 109.839 -169.759 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 564' ' ' ALA . . . . . . . . . . . . . . . -68.23 -41.08 81.77 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.0 0.429 . . . . 0.5 111.368 -173.351 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 565' ' ' TYR . . . . . . . . . . . . . 97.5 m-85 -132.49 146.95 52.32 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.994 -0.548 . . . . 1.15 110.659 -179.009 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 566' ' ' THR . . . . . . . . . . . . . 14.0 t -58.36 -27.38 64.15 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.188 -0.914 . . . . 0.57 111.13 -179.708 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 567' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -59.68 -31.84 69.94 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.031 -0.531 . . . . 0.89 111.367 177.438 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 568' ' ' ALA . . . . . 0.647 ' O ' ' HG3' ' A' ' 572' ' ' MET . . . -73.23 -37.65 66.3 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 109.792 -0.448 . . . . 0.26 109.792 -179.251 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 569' ' ' ALA . . . . . 0.623 ' HA ' ' SD ' ' A' ' 563' ' ' MET . . . -64.06 -45.34 89.19 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.602 -0.727 . . . . 0.24 110.821 -177.333 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 570' ' ' GLN . . . . . 0.609 ' O ' ' HG2' ' A' ' 574' ' ' GLN . 12.2 pt20 -68.91 -38.31 79.51 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.747 -0.661 . . . . 1.24 110.307 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 571' ' ' ALA . . . . . . . . . . . . . . . -62.53 -43.63 98.33 Favored 'General case' 0 N--CA 1.454 -0.229 0 CA-C-N 116.251 -0.431 . . . . 0.31 111.239 -178.389 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 572' ' ' MET . . . . . 0.647 ' HG3' ' O ' ' A' ' 568' ' ' ALA . 36.1 mtt -65.79 -44.29 86.19 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.495 -0.321 . . . . 0.47 110.343 179.569 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 573' ' ' VAL . . . . . 0.618 ' O ' ' HG3' ' A' ' 577' ' ' GLN . 92.8 t -58.9 -46.77 91.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.515 -0.312 . . . . 0.34 110.233 179.244 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 574' ' ' GLN . . . . . 0.609 ' HG2' ' O ' ' A' ' 570' ' ' GLN . 28.8 mm-40 -61.33 -38.48 87.04 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.344 -0.389 . . . . 2.09 110.758 -179.745 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 575' ' ' TYR . . . . . . . . . . . . . 87.0 t80 -68.91 -52.77 25.87 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.967 -0.56 . . . . 0.48 110.869 -178.453 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 576' ' ' TYR . . . . . 0.553 ' HA ' ' O ' ' A' ' 579' ' ' LYS . 58.7 m-85 -71.86 -13.31 61.63 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 112.725 0.639 . . . . 0.36 112.725 -176.355 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 577' ' ' GLN . . . . . 0.618 ' HG3' ' O ' ' A' ' 573' ' ' VAL . 92.4 mt-30 -67.31 -42.7 83.22 Favored 'General case' 0 C--N 1.326 -0.44 0 C-N-CA 120.458 -0.497 . . . . 1.89 109.995 171.822 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 578' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -91.54 -38.63 12.39 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.125 -0.488 . . . . 2.14 111.229 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 579' ' ' LYS . . . . . 0.553 ' O ' ' HA ' ' A' ' 576' ' ' TYR . 29.9 mtpp -127.84 91.72 44.35 Favored Pre-proline 0 C--N 1.327 -0.379 0 N-CA-C 109.883 -0.414 . . . . 2.46 109.883 175.666 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 580' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.49 160.63 49.05 Favored 'Trans proline' 0 C--O 1.234 0.311 0 C-N-CA 122.717 2.278 . . . . 0.37 112.694 -177.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 581' ' ' ALA . . . . . 0.455 ' HB2' ' CE1' ' A' ' 576' ' ' TYR . . . -91.76 127.95 37.41 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 109.028 -0.73 . . . . 0.27 109.028 175.92 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 582' ' ' ILE . . . . . . . . . . . . . 54.8 mt -101.46 121.69 52.68 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.814 0 CA-C-O 120.971 0.415 . . . . 0.51 111.226 -173.862 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 583' ' ' ILE . . . . . 0.407 HG13 HD11 ' A' ' 588' ' ' LEU . 33.2 mm -126.77 116.61 45.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 115.644 -0.707 . . . . 0.51 109.1 176.034 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 584' ' ' ASN . . . . . . . . . . . . . 3.3 m-20 59.15 32.6 22.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.309 0.576 . . . . 1.1 110.246 -179.115 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 585' ' ' GLY . . . . . . . . . . . . . . . 78.91 5.95 88.74 Favored Glycine 0 N--CA 1.445 -0.723 0 CA-C-N 115.629 -0.714 . . . . 0.44 112.975 179.076 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 586' ' ' GLU . . . . . . . . . . . . . 27.1 mt-10 -108.21 127.3 53.71 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 122.533 -0.392 . . . . 1.79 110.47 178.623 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 587' ' ' LYS . . . . . . . . . . . . . 38.1 mmtm -71.42 123.52 22.54 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.598 -0.728 . . . . 1.67 110.615 179.326 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 588' ' ' LEU . . . . . 0.454 HD12 HD11 ' A' ' 540' ' ' LEU . 61.5 mt -79.29 138.27 37.68 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 120.878 0.37 . . . . 0.24 110.787 177.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 589' ' ' LEU . . . . . 0.404 ' HB3' ' SG ' ' A' ' 525' ' ' CYS . 49.7 tp -112.58 112.53 24.13 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.858 -0.61 . . . . 0.38 110.267 177.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 590' ' ' ILE . . . . . 0.45 HD12 ' CD2' ' A' ' 576' ' ' TYR . 17.3 mt -100.11 129.1 51.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 N-CA-C 109.811 -0.44 . . . . 0.26 109.811 175.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 591' ' ' ARG . . . . . 0.51 ' HG3' " O5'" ' B' ' 1' ' ' ADN . 12.9 mmm180 -147.02 159.03 44.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.37 -0.377 . . . . 2.62 110.655 -175.792 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 592' ' ' MET . . . . . . . . . . . . . 63.2 mtt -82.34 128.41 34.19 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 109.213 -0.662 . . . . 0.34 109.213 175.217 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 593' ' ' SER . . . . . . . . . . . . . 46.7 t -69.63 135.74 50.31 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.412 0.625 . . . . 1.37 111.365 -176.472 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 594' ' ' THR . . . . . 0.606 HG21 ' C6 ' ' B' ' 1' ' ' ADN . 19.0 p -89.95 -12.66 38.12 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 114.814 -1.085 . . . . 0.38 111.567 -178.832 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 595' ' ' ARG . . . . . . . . . . . . . 95.3 mtt180 -103.43 -30.77 10.36 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 112.626 0.602 . . . . 2.75 112.626 -172.031 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 596' ' ' TYR . . . . . . . . . . . . . 86.2 m-85 -122.89 151.05 42.12 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.194 0.521 . . . . 0.65 111.967 -174.733 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 597' ' ' LYS . . . . . 0.568 ' N ' ' HD2' ' A' ' 597' ' ' LYS . 6.1 mptt -108.05 -24.13 11.71 Favored 'General case' 0 C--O 1.219 -0.514 0 CA-C-N 115.373 -0.83 . . . . 2.18 111.534 -177.366 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 598' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -141.9 150.84 42.04 Favored 'General case' 0 C--N 1.326 -0.444 0 C-N-CA 120.513 -0.475 . . . . 0.95 111.423 -177.024 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 599' ' ' LEU . . . . . 0.694 HD21 HG13 ' A' ' 521' ' ' VAL . 84.9 mt -108.89 125.69 52.27 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.247 -0.888 . . . . 0.45 110.852 176.597 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 600' ' ' GLN . . . . . . . . . . . . . 30.2 tt0 -114.58 125.29 53.61 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.959 -0.564 . . . . 1.52 109.933 177.624 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 601' ' ' LEU . . . . . . . . . . . . . 50.9 mt -75.37 98.61 3.9 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.147 0.498 . . . . 0.46 111.341 -177.843 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 602' ' ' LYS . . . . . . . . . . . . . 95.0 mttt -79.84 -23.72 41.81 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.605 0.717 . . . . 1.73 109.251 173.364 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 603' ' ' LYS . . . . . . . . . . . . . 34.1 mmtp -117.37 131.2 24.16 Favored Pre-proline 0 C--N 1.324 -0.521 0 CA-C-N 114.95 -1.023 . . . . 1.69 109.123 176.379 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 604' ' ' PRO . . . . . . . . . . . . . 59.5 Cg_endo -72.45 169.11 22.53 Favored 'Trans proline' 0 C--O 1.235 0.366 0 C-N-CA 122.463 2.109 . . . . 1.21 112.593 -178.446 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 605' ' ' GLY . . . . . . . . . . . . . . . -146.68 172.47 27.2 Favored Glycine 0 N--CA 1.439 -1.102 0 N-CA-C 111.584 -0.606 . . . . 1.23 111.584 -178.734 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 606' ' ' LYS . . . . . . . . . . . . . 54.6 mtpt -80.78 170.93 15.66 Favored 'General case' 0 C--N 1.318 -0.795 0 N-CA-C 110.274 -0.269 . . . . 3.47 110.274 178.704 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 607' ' ' ASN . . . . . . . . . . . . . 35.2 t30 -58.92 123.18 15.64 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.121 0.486 . . . . 1.33 111.053 175.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 608' ' ' VAL . . . . . 0.552 HG11 ' HB ' ' A' ' 547' ' ' VAL . 93.5 t -77.42 -26.76 15.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 115.688 -0.687 . . . . 0.3 111.406 -176.929 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 609' ' ' ALA . . . . . . . . . . . . . . . -62.83 -35.19 79.11 Favored 'General case' 0 C--O 1.239 0.52 0 CA-C-O 121.586 0.708 . . . . 0.44 110.761 176.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 610' ' ' ALA . . . . . . . . . . . . . . . -64.48 -27.56 69.06 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.515 -0.766 . . . . 0.4 110.028 177.229 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 611' ' ' ILE . . . . . 0.481 ' CD1' HD12 ' A' ' 538' ' ' ILE . 71.4 mt -70.63 -30.29 41.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 115.674 -0.694 . . . . 0.25 109.655 178.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 612' ' ' ILE . . . . . 0.506 ' CG1' HD13 ' A' ' 542' ' ' LEU . 60.6 mt -60.84 -43.45 95.57 Favored 'Isoleucine or valine' 0 C--O 1.234 0.251 0 N-CA-C 109.636 -0.505 . . . . 0.31 109.636 172.379 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 613' ' ' GLN . . . . . . . . . . . . . 80.7 mm-40 -63.21 -33.26 75.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.696 -0.684 . . . . 2.31 110.357 176.413 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 614' ' ' ASP . . . . . . . . . . . . . 21.1 m-20 -65.64 -41.87 92.11 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.788 -0.642 . . . . 1.95 110.817 177.408 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 615' ' ' ILE . . . . . 0.484 HD11 ' HA ' ' A' ' 539' ' ' ASN . 85.0 mt -63.34 -46.5 95.34 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-O 120.989 0.424 . . . . 0.35 110.563 178.667 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 616' ' ' HIS . . . . . . . . . . . . . 13.6 m-70 -63.29 -33.21 75.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.812 -0.631 . . . . 1.26 110.83 178.183 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 617' ' ' SER . . . . . 0.502 ' HB3' ' H ' ' A' ' 621' ' ' ARG . 69.0 m -69.67 -25.12 63.74 Favored 'General case' 0 N--CA 1.451 -0.38 0 CA-C-N 116.304 -0.407 . . . . 1.18 110.707 178.53 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 618' ' ' GLN . . . . . . . . . . . . . 51.2 mt-30 67.07 -75.31 0.06 Allowed 'General case' 0 N--CA 1.468 0.438 0 C-N-CA 123.427 0.691 . . . . 4.68 111.557 176.185 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 619' ' ' ARG . . . . . . . . . . . . . 55.3 mtm180 -128.01 58.18 1.53 Allowed 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 109.411 -0.588 . . . . 7.77 109.411 177.328 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 620' ' ' GLU . . . . . . . . . . . . . 15.4 mm-40 57.66 62.78 2.01 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.189 -0.914 . . . . 7.92 111.192 -179.331 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 621' ' ' ARG . . . . . 0.502 ' H ' ' HB3' ' A' ' 617' ' ' SER . 59.6 ttp180 . . . . . 0 C--O 1.246 0.911 0 CA-C-O 118.544 -0.741 . . . . 11.0 109.611 175.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 1' ' ' ADN . . . . . 0.496 ' N7 ' HG21 ' A' ' 594' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 2' ' ' ' U' . . . . . 0.475 " O5'" " H4'" ' B' ' 1' ' ' ADN . . . . . . . . 0 O5'--C5' 1.427 -0.839 0 C3'-C2'-C1' 100.499 -1.112 . 0.0 '__' . 2.99 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 3' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.894 0 C3'-C2'-C1' 100.029 -1.634 . 0.0 OUTLIER . 1.58 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 4' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.424 -1.014 0 C3'-C2'-C1' 100.787 -0.792 . 0.0 OUTLIER . 1.15 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 5' ' ' ' U' . . . . . 0.711 " H4'" ' HA ' ' A' ' 553' ' ' MET . . . . . . . . 0 O5'--C5' 1.424 -0.987 0 C4'-C3'-C2' 104.232 1.532 . 0.0 OUTLIER alpha 1.33 . . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 6' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.842 0 C3'-C2'-C1' 100.755 -0.828 . 0.0 OUTLIER gamma 4.23 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 510' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.763 0 N-CA-C 111.881 -0.488 . . . . 8.88 111.881 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 511' ' ' ALA . . . . . . . . . . . . . . . -86.93 123.22 31.81 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.962 0.41 . . . . 6.64 111.086 -177.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 512' ' ' MET . . . . . . . . . . . . . 27.1 ptm -94.66 -7.49 40.62 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.969 -0.559 . . . . 6.33 110.567 -179.522 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 513' ' ' ALA . . . . . . . . . . . . . . . -74.02 71.28 1.58 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.481 0.658 . . . . 4.2 110.675 177.739 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 514' ' ' GLN . . . . . 0.454 ' OE1' ' HE3' ' A' ' 597' ' ' LYS . 75.3 mt-30 -107.2 -176.57 3.11 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.558 -0.746 . . . . 2.88 110.13 -178.937 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 515' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -59.31 -69.69 0.19 Allowed 'General case' 0 C--N 1.327 -0.4 0 O-C-N 123.215 0.322 . . . . 4.0 110.477 176.659 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 516' ' ' LYS . . . . . 0.401 ' C ' ' HG2' ' A' ' 520' ' ' ARG . 75.1 mmtt 54.39 50.44 16.22 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-N 115.851 -0.613 . . . . 1.89 110.863 -179.914 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 517' ' ' GLY . . . . . . . . . . . . . . . -125.84 -80.06 0.36 Allowed Glycine 0 N--CA 1.449 -0.456 0 N-CA-C 111.335 -0.706 . . . . 2.04 111.335 177.444 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 518' ' ' ALA . . . . . . . . . . . . . . . -81.75 61.02 4.93 Favored 'General case' 0 C--O 1.236 0.362 0 CA-C-O 121.635 0.731 . . . . 1.75 109.882 175.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 519' ' ' GLY . . . . . . . . . . . . . . . 128.92 108.19 1.36 Allowed Glycine 0 N--CA 1.443 -0.85 0 N-CA-C 110.271 -1.131 . . . . 0.67 110.271 -171.859 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 520' ' ' ARG . . . . . 0.401 ' HG2' ' C ' ' A' ' 516' ' ' LYS . 32.3 mtm-85 -129.63 131.38 46.43 Favored 'General case' 0 C--N 1.324 -0.542 0 C-N-CA 120.382 -0.527 . . . . 2.22 110.323 179.31 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 521' ' ' VAL . . . . . 0.697 ' HB ' ' OG ' ' A' ' 593' ' ' SER . 62.2 t -118.41 124.55 73.3 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.664 0 CA-C-N 116.076 -0.511 . . . . 0.32 110.404 170.185 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 522' ' ' VAL . . . . . 0.599 ' HB ' ' O ' ' A' ' 561' ' ' LEU . 23.2 t -120.83 121.7 65.88 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.777 0 N-CA-C 107.538 -1.282 . . . . 0.22 107.538 170.938 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 523' ' ' HIS . . . . . . . . . . . . . 51.4 t-80 -105.89 133.69 50.21 Favored 'General case' 0 C--N 1.323 -0.584 0 O-C-N 121.791 -0.568 . . . . 0.44 110.87 -172.904 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 524' ' ' ILE . . . . . 0.451 HG23 HG12 ' A' ' 590' ' ' ILE . 32.6 mt -111.16 140.04 32.29 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.754 0 N-CA-C 108.738 -0.838 . . . . 0.19 108.738 177.906 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 525' ' ' CYS . . . . . 0.455 ' SG ' ' HG2' ' A' ' 558' ' ' GLN . 38.1 t -134.25 161.24 35.48 Favored 'General case' 0 C--N 1.314 -0.948 0 C-N-CA 120.811 -0.356 . . . . 1.17 111.185 -174.768 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 526' ' ' ASN . . . . . 0.404 ' HB2' ' O ' ' A' ' 525' ' ' CYS . 80.2 m-20 84.64 28.9 0.06 Allowed 'General case' 0 N--CA 1.468 0.454 0 O-C-N 124.663 1.227 . . . . 0.26 111.228 172.042 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 527' ' ' LEU . . . . . 0.449 ' O ' ' HB3' ' A' ' 557' ' ' ASN . 83.9 mt -81.66 125.44 78.22 Favored Pre-proline 0 C--N 1.324 -0.537 0 N-CA-C 108.638 -0.875 . . . . 0.25 108.638 178.461 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 528' ' ' PRO . . . . . . . . . . . . . 9.5 Cg_exo -69.05 135.42 32.11 Favored 'Trans proline' 0 N--CA 1.458 -0.594 0 C-N-CA 121.4 1.4 . . . . 0.38 111.547 -178.717 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 529' ' ' GLU . . . . . 0.431 ' HB2' ' OD1' ' A' ' 557' ' ' ASN . 33.2 tt0 -65.37 136.18 56.21 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 109.378 -0.601 . . . . 1.6 109.378 176.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 530' ' ' GLY . . . . . . . . . . . . . . . 84.71 4.47 87.4 Favored Glycine 0 N--CA 1.446 -0.651 0 C-N-CA 119.919 -1.134 . . . . 0.48 110.933 -172.796 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 531' ' ' SER . . . . . . . . . . . . . 19.5 m -142.08 4.07 1.62 Allowed 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.425 0.631 . . . . 1.08 109.684 -175.814 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 532' ' ' CYS . . . . . . . . . . . . . 85.3 m -89.19 86.9 6.97 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.683 -0.689 . . . . 0.25 109.466 -178.577 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 533' ' ' THR . . . . . 0.47 ' O ' HG23 ' A' ' 537' ' ' VAL . 26.8 p -107.67 152.96 23.61 Favored 'General case' 0 C--N 1.319 -0.757 0 N-CA-C 108.875 -0.787 . . . . 0.35 108.875 179.892 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 534' ' ' GLU . . . . . 0.681 ' HA ' HD11 ' A' ' 552' ' ' LEU . 12.2 mp0 -64.61 -32.82 74.65 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-O 121.228 0.537 . . . . 1.64 109.73 178.926 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 535' ' ' ASN . . . . . . . . . . . . . 10.6 m120 -62.92 -48.1 80.41 Favored 'General case' 0 C--O 1.218 -0.575 0 CA-C-N 115.275 -0.875 . . . . 1.82 111.657 -179.508 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 536' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -67.2 -45.94 75.38 Favored 'General case' 0 N--CA 1.47 0.57 0 CA-C-O 121.744 0.783 . . . . 0.61 110.89 -172.72 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 537' ' ' VAL . . . . . 0.47 HG23 ' O ' ' A' ' 533' ' ' THR . 27.9 t -62.23 -49.03 85.67 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.753 0 CA-C-N 114.459 -1.246 . . . . 0.15 110.428 -176.467 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 538' ' ' ILE . . . . . 0.645 HD11 ' CG ' ' A' ' 550' ' ' TYR . 58.7 mt -68.92 -34.36 63.87 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.745 0 CA-C-N 115.607 -0.724 . . . . 0.23 111.56 177.219 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 539' ' ' ASN . . . . . 0.574 ' HA ' HD11 ' A' ' 615' ' ' ILE . 9.2 m120 -59.12 -25.45 63.86 Favored 'General case' 0 CA--C 1.516 -0.346 0 C-N-CA 120.958 -0.297 . . . . 0.25 110.486 176.91 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 540' ' ' LEU . . . . . 0.554 HD11 HD12 ' A' ' 588' ' ' LEU . 95.3 mt -75.13 -41.5 58.26 Favored 'General case' 0 C--N 1.322 -0.616 0 C-N-CA 120.645 -0.422 . . . . 0.27 110.061 172.824 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 541' ' ' GLY . . . . . 0.52 ' HA3' HD21 ' A' ' 561' ' ' LEU . . . -66.48 -51.51 41.95 Favored Glycine 0 CA--C 1.525 0.691 0 N-CA-C 115.62 1.008 . . . . 0.19 115.62 -179.349 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 542' ' ' LEU . . . . . 0.516 ' HA ' ' O ' ' A' ' 545' ' ' GLY . 75.6 mt -59.57 -43.17 95.24 Favored Pre-proline 0 C--N 1.319 -0.725 0 N-CA-C 115.303 1.594 . . . . 0.2 115.303 -168.243 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 543' ' ' PRO . . . . . 0.471 ' HG3' HD13 ' A' ' 615' ' ' ILE . 50.7 Cg_exo -60.63 -22.49 72.87 Favored 'Trans proline' 0 CA--C 1.534 0.477 0 C-N-CA 121.706 1.604 . . . . 0.23 113.638 -179.377 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 544' ' ' PHE . . . . . 0.528 ' HE2' ' HH ' ' A' ' 576' ' ' TYR . 96.7 m-85 -103.4 -15.89 15.77 Favored 'General case' 0 C--O 1.233 0.213 0 N-CA-C 112.146 0.425 . . . . 0.33 112.146 178.361 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 545' ' ' GLY . . . . . 0.516 ' O ' ' HA ' ' A' ' 542' ' ' LEU . . . -173.03 -179.5 43.76 Favored Glycine 0 C--O 1.224 -0.506 0 C-N-CA 120.353 -0.927 . . . . 0.44 112.394 -176.05 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 546' ' ' LYS . . . . . . . . . . . . . 26.6 ttpp -96.05 122.88 39.35 Favored 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 109.889 -0.412 . . . . 2.07 109.889 -177.297 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 547' ' ' VAL . . . . . 0.609 ' HB ' HG11 ' A' ' 608' ' ' VAL . 71.6 t -89.96 115.46 29.51 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 CA-C-N 116.491 -0.322 . . . . 0.2 110.78 179.348 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 548' ' ' THR . . . . . . . . . . . . . 21.1 p -95.58 -37.68 10.74 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 112.182 0.438 . . . . 0.31 112.182 178.283 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 549' ' ' ASN . . . . . 0.425 ' HB2' ' HB3' ' A' ' 562' ' ' GLU . 4.1 m-20 -141.43 158.71 43.51 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.962 -0.563 . . . . 1.26 109.785 -178.019 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 550' ' ' TYR . . . . . 0.645 ' CG ' HD11 ' A' ' 538' ' ' ILE . 3.5 p90 -161.83 152.46 17.59 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 116.02 -0.536 . . . . 0.31 109.648 -179.377 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 551' ' ' ILE . . . . . 0.462 ' HB ' ' HB2' ' A' ' 560' ' ' PHE . 41.0 mt -144.16 126.59 11.06 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 N-CA-C 107.684 -1.228 . . . . 0.22 107.684 -179.679 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 552' ' ' LEU . . . . . 0.681 HD11 ' HA ' ' A' ' 534' ' ' GLU . 21.2 mt -106.68 129.06 54.64 Favored 'General case' 0 C--N 1.309 -1.186 0 C-N-CA 118.967 -1.093 . . . . 0.43 110.286 -179.623 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 553' ' ' MET . . . . . 0.711 ' HA ' " H4'" ' B' ' 5' ' ' ' U' . 32.1 mtp -104.4 80.14 1.66 Allowed 'General case' 0 C--N 1.32 -0.686 0 N-CA-C 108.317 -0.994 . . . . 1.03 108.317 -178.446 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 554' ' ' LYS . . . . . . . . . . . . . 24.2 mmtp -54.27 -28.68 43.43 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 114.939 -1.028 . . . . 1.03 112.866 176.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 555' ' ' SER . . . . . . . . . . . . . 62.7 p -69.59 -44.62 70.41 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 111.964 0.357 . . . . 0.51 111.964 -175.183 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 556' ' ' THR . . . . . . . . . . . . . 45.3 p -102.54 7.9 40.0 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 112.548 0.573 . . . . 0.45 112.548 -174.294 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 557' ' ' ASN . . . . . 0.449 ' HB3' ' O ' ' A' ' 527' ' ' LEU . 87.0 m-20 58.96 39.84 23.15 Favored 'General case' 0 N--CA 1.467 0.419 0 CA-C-O 121.721 0.772 . . . . 1.28 110.432 -177.311 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 558' ' ' GLN . . . . . 0.455 ' HG2' ' SG ' ' A' ' 525' ' ' CYS . 79.2 mt-30 -137.99 169.56 17.57 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 114.924 -1.035 . . . . 0.84 109.567 -176.498 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 559' ' ' ALA . . . . . . . . . . . . . . . -158.62 166.75 31.32 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.49 0.662 . . . . 0.16 112.751 179.339 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 560' ' ' PHE . . . . . 0.462 ' HB2' ' HB ' ' A' ' 551' ' ' ILE . 94.9 m-85 -118.47 142.62 47.39 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.202 -0.908 . . . . 0.35 110.223 175.599 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 561' ' ' LEU . . . . . 0.599 ' O ' ' HB ' ' A' ' 522' ' ' VAL . 60.5 tp -134.51 119.39 18.42 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.858 -0.61 . . . . 0.2 109.801 179.746 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 562' ' ' GLU . . . . . 0.452 ' HB2' HD12 ' A' ' 599' ' ' LEU . 30.6 tt0 -99.82 122.93 43.51 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 121.427 0.632 . . . . 2.09 110.281 178.801 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 563' ' ' MET . . . . . 0.637 ' SD ' ' HA ' ' A' ' 569' ' ' ALA . 31.1 mtt -107.96 162.27 14.18 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-N 115.072 -0.967 . . . . 0.39 109.235 -178.674 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 564' ' ' ALA . . . . . . . . . . . . . . . -60.35 -44.98 95.05 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 117.999 0.363 . . . . 0.5 111.795 -172.898 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 565' ' ' TYR . . . . . . . . . . . . . 77.3 m-85 -138.37 162.94 33.13 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.313 -0.403 . . . . 1.15 111.524 -175.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 566' ' ' THR . . . . . . . . . . . . . 13.4 t -60.97 -28.17 68.8 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.729 -0.669 . . . . 0.57 110.612 -179.512 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 567' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -61.89 -32.99 73.41 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.812 -0.631 . . . . 0.89 111.22 -179.749 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 568' ' ' ALA . . . . . 0.67 ' O ' ' HG3' ' A' ' 572' ' ' MET . . . -73.66 -41.73 62.31 Favored 'General case' 0 N--CA 1.45 -0.448 0 N-CA-C 109.495 -0.558 . . . . 0.26 109.495 179.412 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 569' ' ' ALA . . . . . 0.637 ' HA ' ' SD ' ' A' ' 563' ' ' MET . . . -65.1 -45.13 86.43 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.318 -0.856 . . . . 0.24 111.378 -176.199 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 570' ' ' GLN . . . . . 0.411 ' O ' ' HG3' ' A' ' 574' ' ' GLN . 20.5 pt20 -68.01 -37.07 80.99 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.307 -0.406 . . . . 1.24 110.382 -178.363 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 571' ' ' ALA . . . . . . . . . . . . . . . -62.3 -44.93 95.39 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.203 -0.453 . . . . 0.31 110.802 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 572' ' ' MET . . . . . 0.67 ' HG3' ' O ' ' A' ' 568' ' ' ALA . 28.0 mtt -68.99 -40.66 78.64 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.07 -0.514 . . . . 0.47 110.537 -178.48 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 573' ' ' VAL . . . . . 0.545 HG23 ' O ' ' A' ' 569' ' ' ALA . 91.4 t -59.77 -46.46 93.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.902 0.382 . . . . 0.34 110.079 177.302 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 574' ' ' GLN . . . . . 0.411 ' HG3' ' O ' ' A' ' 570' ' ' GLN . 28.6 mt-30 -61.19 -38.37 86.28 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.193 -0.458 . . . . 2.09 110.859 178.888 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 575' ' ' TYR . . . . . . . . . . . . . 71.6 t80 -70.5 -53.96 14.16 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.086 -0.506 . . . . 0.48 110.993 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 576' ' ' TYR . . . . . 0.528 ' HH ' ' HE2' ' A' ' 544' ' ' PHE . 80.0 m-85 -74.75 -14.17 60.68 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 113.246 0.832 . . . . 0.36 113.246 -172.774 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 577' ' ' GLN . . . . . 0.476 ' HG3' ' O ' ' A' ' 573' ' ' VAL . 25.3 mt-30 -74.36 -40.61 62.02 Favored 'General case' 0 C--N 1.323 -0.568 0 C-N-CA 120.077 -0.649 . . . . 1.89 109.889 173.326 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 578' ' ' GLU . . . . . . . . . . . . . 8.3 mm-40 -86.39 -37.55 18.28 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.147 -0.479 . . . . 2.14 110.949 178.872 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 579' ' ' LYS . . . . . 0.461 ' O ' ' HA ' ' A' ' 576' ' ' TYR . 9.5 mtpm? -128.55 87.1 55.95 Favored Pre-proline 0 C--N 1.326 -0.445 0 N-CA-C 109.955 -0.387 . . . . 2.46 109.955 175.483 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 580' ' ' PRO . . . . . . . . . . . . . 32.8 Cg_endo -64.09 160.2 39.19 Favored 'Trans proline' 0 C--O 1.233 0.273 0 C-N-CA 122.638 2.225 . . . . 0.37 112.243 -179.503 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 581' ' ' ALA . . . . . 0.463 ' HB2' ' CE1' ' A' ' 576' ' ' TYR . . . -91.4 134.69 34.41 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.194 -0.457 . . . . 0.27 110.006 -179.428 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 582' ' ' ILE . . . . . . . . . . . . . 47.0 mt -103.04 118.59 50.22 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.799 0 CA-C-O 120.842 0.353 . . . . 0.51 111.219 -175.8 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 583' ' ' ILE . . . . . 0.503 ' CG1' HD11 ' A' ' 588' ' ' LEU . 36.2 mm -125.91 112.04 29.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 N-CA-C 109.534 -0.543 . . . . 0.51 109.534 173.413 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 584' ' ' ASN . . . . . . . . . . . . . 94.8 m-20 50.58 42.6 27.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.868 0.842 . . . . 1.1 111.119 -179.885 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 585' ' ' GLY . . . . . . . . . . . . . . . 83.4 1.48 90.28 Favored Glycine 0 N--CA 1.445 -0.752 0 CA-C-N 114.628 -1.169 . . . . 0.44 114.392 175.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 586' ' ' GLU . . . . . . . . . . . . . 30.6 mm-40 -100.83 125.61 47.36 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 118.041 0.921 . . . . 1.79 111.134 177.395 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 587' ' ' LYS . . . . . . . . . . . . . 44.7 mmtm -74.55 115.21 13.83 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-N 115.538 -0.755 . . . . 1.67 110.175 171.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 588' ' ' LEU . . . . . 0.554 HD12 HD11 ' A' ' 540' ' ' LEU . 54.8 mt -83.58 141.2 31.75 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 120.812 0.339 . . . . 0.24 111.156 -178.242 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 589' ' ' LEU . . . . . . . . . . . . . 58.1 tp -112.87 112.08 23.31 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.833 -0.622 . . . . 0.38 110.901 -179.149 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 590' ' ' ILE . . . . . 0.459 HD12 ' CD2' ' A' ' 576' ' ' TYR . 17.7 mt -103.07 120.94 53.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 N-CA-C 110.015 -0.365 . . . . 0.26 110.015 175.459 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 591' ' ' ARG . . . . . . . . . . . . . 74.6 mtp180 -146.91 165.55 29.43 Favored 'General case' 0 N--CA 1.462 0.151 0 CA-C-O 120.895 0.378 . . . . 2.62 110.413 -176.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 592' ' ' MET . . . . . . . . . . . . . 53.2 mtt -82.34 151.14 26.83 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.228 -0.442 . . . . 0.34 110.699 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 593' ' ' SER . . . . . 0.697 ' OG ' ' HB ' ' A' ' 521' ' ' VAL . 58.3 p -83.52 129.73 34.98 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.856 -0.611 . . . . 1.37 111.737 -176.696 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 594' ' ' THR . . . . . 0.496 HG21 ' N7 ' ' B' ' 1' ' ' ADN . 18.6 p -91.64 -17.83 24.93 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.999 -0.546 . . . . 0.38 111.875 175.388 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 595' ' ' ARG . . . . . 0.408 HH11 ' HD3' ' A' ' 595' ' ' ARG . 44.7 mtp180 -102.99 -29.99 11.06 Favored 'General case' 0 CA--C 1.533 0.298 0 N-CA-C 112.921 0.711 . . . . 2.75 112.921 -171.42 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 596' ' ' TYR . . . . . . . . . . . . . 30.3 m-85 -125.26 145.6 49.92 Favored 'General case' 0 N--CA 1.468 0.435 0 N-CA-C 112.256 0.465 . . . . 0.65 112.256 -176.662 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 597' ' ' LYS . . . . . 0.454 ' HE3' ' OE1' ' A' ' 514' ' ' GLN . 37.1 mmtm -109.02 -11.27 14.98 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.711 -0.677 . . . . 2.18 112.456 -179.676 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 598' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -142.26 150.26 40.66 Favored 'General case' 0 C--N 1.324 -0.512 0 C-N-CA 120.237 -0.585 . . . . 0.95 111.396 -174.093 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 599' ' ' LEU . . . . . 0.617 HD21 HG13 ' A' ' 521' ' ' VAL . 58.0 mt -115.01 121.52 43.38 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.168 -0.924 . . . . 0.45 110.625 176.549 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 600' ' ' GLN . . . . . . . . . . . . . 29.4 tt0 -111.96 123.34 50.04 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.702 -0.681 . . . . 1.52 109.713 178.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 601' ' ' LEU . . . . . . . . . . . . . 93.7 mt -76.93 92.58 3.68 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.627 -0.261 . . . . 0.46 111.416 -176.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 602' ' ' LYS . . . . . . . . . . . . . 67.2 mttm -66.18 -32.43 73.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.338 0.59 . . . . 1.73 109.502 172.762 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 603' ' ' LYS . . . . . . . . . . . . . 74.6 mmtt -113.13 141.81 26.3 Favored Pre-proline 0 C--N 1.324 -0.509 0 CA-C-N 115.289 -0.869 . . . . 1.69 109.283 179.557 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 604' ' ' PRO . . . . . . . . . . . . . 17.2 Cg_exo -65.48 157.66 57.01 Favored 'Trans proline' 0 C--O 1.235 0.342 0 C-N-CA 122.477 2.118 . . . . 1.21 111.796 177.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 605' ' ' GLY . . . . . . . . . . . . . . . -122.43 -178.45 15.61 Favored Glycine 0 N--CA 1.438 -1.169 0 C-N-CA 120.989 -0.624 . . . . 1.23 111.939 -177.12 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 606' ' ' LYS . . . . . . . . . . . . . 81.4 mttt -107.24 163.07 13.33 Favored 'General case' 0 C--N 1.31 -1.119 0 CA-C-N 114.867 -0.666 . . . . 3.47 109.274 179.689 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 607' ' ' ASN . . . . . . . . . . . . . 25.8 t30 -58.16 121.32 10.41 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.966 0.412 . . . . 1.33 110.303 169.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 608' ' ' VAL . . . . . 0.609 HG11 ' HB ' ' A' ' 547' ' ' VAL . 69.3 t -86.31 -25.87 6.33 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-N 115.809 -0.632 . . . . 0.3 111.069 -176.132 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 609' ' ' ALA . . . . . . . . . . . . . . . -59.53 -33.68 71.69 Favored 'General case' 0 C--O 1.237 0.416 0 CA-C-O 121.371 0.605 . . . . 0.44 110.478 175.226 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 610' ' ' ALA . . . . . . . . . . . . . . . -65.39 -30.32 71.13 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.778 -0.646 . . . . 0.4 110.13 176.631 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 611' ' ' ILE . . . . . 0.454 ' CD1' HD12 ' A' ' 538' ' ' ILE . 76.8 mt -70.77 -29.49 38.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 115.65 -0.704 . . . . 0.25 109.801 179.416 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 612' ' ' ILE . . . . . 0.477 ' CG1' HD13 ' A' ' 542' ' ' LEU . 64.1 mt -61.02 -40.67 86.39 Favored 'Isoleucine or valine' 0 C--O 1.235 0.291 0 CA-C-O 121.279 0.561 . . . . 0.31 109.611 171.316 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 613' ' ' GLN . . . . . . . . . . . . . 23.5 mt-30 -64.08 -30.19 71.28 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.392 -0.822 . . . . 2.31 110.483 177.262 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 614' ' ' ASP . . . . . 0.453 ' HB2' ' O ' ' A' ' 611' ' ' ILE . 2.5 m-20 -64.86 -44.86 88.37 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-N 115.936 -0.575 . . . . 1.95 110.161 177.253 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 615' ' ' ILE . . . . . 0.574 HD11 ' HA ' ' A' ' 539' ' ' ASN . 81.1 mt -65.05 -43.13 95.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 115.899 -0.591 . . . . 0.35 110.323 178.538 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 616' ' ' HIS . . . . . . . . . . . . . 51.5 m170 -64.08 -37.82 88.82 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.558 -0.746 . . . . 1.26 111.392 179.805 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 617' ' ' SER . . . . . 0.401 ' O ' ' HB2' ' A' ' 618' ' ' GLN . 26.1 m -70.98 -23.11 62.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.51 -0.313 . . . . 1.18 110.498 176.424 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 618' ' ' GLN . . . . . 0.401 ' HB2' ' O ' ' A' ' 617' ' ' SER . 55.9 mt-30 74.57 163.09 0.26 Allowed 'General case' 0 N--CA 1.463 0.219 0 CA-C-N 115.214 -0.903 . . . . 4.68 110.869 -179.271 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 619' ' ' ARG . . . . . . . . . . . . . 70.7 mtp180 -132.55 88.12 2.49 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 115.816 -0.629 . . . . 7.77 109.829 178.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 620' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -124.89 148.83 48.1 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.695 -0.684 . . . . 7.92 110.301 -177.573 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 621' ' ' ARG . . . . . . . . . . . . . 8.5 tpt180 . . . . . 0 C--O 1.249 1.038 0 CA-C-O 118.692 -0.671 . . . . 11.0 109.54 178.687 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 1' ' ' ADN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 2' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.861 0 C3'-C2'-C1' 100.038 -1.625 . 0.0 '__' . 2.99 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 3' ' ' ' C' . . . . . 0.588 ' O2 ' ' HB3' ' A' ' 593' ' ' SER . . . . . . . . 0 O5'--C5' 1.425 -0.946 0 C3'-C2'-C1' 100.227 -1.414 . 0.145 2[ . 1.58 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 4' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.823 0 C3'-C2'-C1' 99.939 -1.735 . 0.0 OUTLIER . 1.15 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 5' ' ' ' U' . . . . . 0.577 " H4'" ' HA ' ' A' ' 553' ' ' MET . . . . . . . . 0 O5'--C5' 1.425 -0.966 0 C4'-C3'-C2' 104.301 1.601 . 0.0 OUTLIER alpha 1.33 . . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 6' ' ' ' A' . . . . . 0.482 ' H2 ' " O5'" ' B' ' 5' ' ' ' U' . . . . . . . . 0 O5'--C5' 1.426 -0.901 0 O4'-C1'-N19 109.271 1.071 . 0.247 2[ . 4.23 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 510' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.741 0 N-CA-C 111.954 -0.459 . . . . 8.88 111.954 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 511' ' ' ALA . . . . . . . . . . . . . . . -80.85 112.5 18.29 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.98 0.419 . . . . 6.64 110.639 179.818 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 512' ' ' MET . . . . . . . . . . . . . 16.1 ptp -86.53 166.78 15.18 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.165 -0.471 . . . . 6.33 110.685 -179.327 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 513' ' ' ALA . . . . . . . . . . . . . . . 65.82 16.83 10.65 Favored 'General case' 0 N--CA 1.466 0.343 0 O-C-N 123.721 0.638 . . . . 4.2 111.567 -179.364 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 514' ' ' GLN . . . . . . . . . . . . . 14.5 mm100 -108.01 166.78 10.47 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.231 -0.441 . . . . 2.88 110.406 179.807 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 515' ' ' ARG . . . . . . . . . . . . . 92.5 mtt180 -109.58 148.42 31.31 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.188 -0.46 . . . . 4.0 109.948 -179.034 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 516' ' ' LYS . . . . . . . . . . . . . 33.8 mmtp -129.16 -18.16 3.73 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.18 -0.464 . . . . 1.89 110.624 -178.859 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 517' ' ' GLY . . . . . . . . . . . . . . . -68.18 -74.79 0.56 Allowed Glycine 0 N--CA 1.449 -0.489 0 C-N-CA 121.069 -0.586 . . . . 2.04 112.536 -177.724 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 518' ' ' ALA . . . . . . . . . . . . . . . -96.57 53.54 1.28 Allowed 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.069 0.461 . . . . 1.75 110.776 -179.378 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 519' ' ' GLY . . . . . . . . . . . . . . . 142.12 137.03 3.31 Favored Glycine 0 N--CA 1.447 -0.609 0 C-N-CA 120.833 -0.699 . . . . 0.67 112.234 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 520' ' ' ARG . . . . . . . . . . . . . 42.8 mtm-85 -141.37 134.14 28.76 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 109.6 -0.518 . . . . 2.22 109.6 173.113 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 521' ' ' VAL . . . . . 0.712 HG13 HD21 ' A' ' 599' ' ' LEU . 56.8 t -117.07 121.19 67.21 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.703 0 CA-C-O 120.99 0.424 . . . . 0.32 111.233 174.406 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 522' ' ' VAL . . . . . 0.501 ' HB ' ' O ' ' A' ' 561' ' ' LEU . 25.3 t -121.04 121.57 65.35 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.815 0 N-CA-C 107.942 -1.133 . . . . 0.22 107.942 175.657 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 523' ' ' HIS . . . . . 0.422 ' HB2' ' OG ' ' A' ' 593' ' ' SER . 58.9 t-80 -106.18 135.28 47.93 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.01 0.433 . . . . 0.44 110.056 -175.221 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 524' ' ' ILE . . . . . 0.46 HD11 HD22 ' A' ' 561' ' ' LEU . 33.3 mt -111.18 138.93 37.47 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.929 0 N-CA-C 108.45 -0.944 . . . . 0.19 108.45 177.713 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 525' ' ' CYS . . . . . 0.421 ' O ' ' HB2' ' A' ' 526' ' ' ASN . 0.0 OUTLIER -132.24 157.9 43.17 Favored 'General case' 0 C--N 1.318 -0.79 0 C-N-CA 120.873 -0.331 . . . . 1.17 111.033 -171.294 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 526' ' ' ASN . . . . . 0.421 ' HB2' ' O ' ' A' ' 525' ' ' CYS . 83.3 m-20 82.6 30.18 0.1 Allowed 'General case' 0 N--CA 1.469 0.495 0 O-C-N 124.447 1.092 . . . . 0.26 110.824 172.868 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 527' ' ' LEU . . . . . 0.408 ' HB3' ' SG ' ' A' ' 532' ' ' CYS . 81.8 mt -85.73 123.69 72.06 Favored Pre-proline 0 C--N 1.319 -0.723 0 N-CA-C 108.386 -0.968 . . . . 0.25 108.386 176.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 528' ' ' PRO . . . . . 0.406 ' HD3' ' HA ' ' A' ' 527' ' ' LEU . 7.6 Cg_exo -71.54 131.81 19.42 Favored 'Trans proline' 0 N--CA 1.456 -0.689 0 C-N-CA 121.039 1.159 . . . . 0.38 111.259 -178.425 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 529' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -65.85 138.51 57.93 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 109.524 -0.547 . . . . 1.6 109.524 177.794 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 530' ' ' GLY . . . . . . . . . . . . . . . 87.66 3.13 81.12 Favored Glycine 0 N--CA 1.443 -0.835 0 C-N-CA 120.185 -1.007 . . . . 0.48 110.596 -173.435 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 531' ' ' SER . . . . . . . . . . . . . 55.5 m -147.5 8.19 0.89 Allowed 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.186 -0.507 . . . . 1.08 109.817 -178.596 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 532' ' ' CYS . . . . . 0.488 ' HB2' ' HD2' ' A' ' 554' ' ' LYS . 70.0 m -89.88 86.11 6.55 Favored 'General case' 0 CA--C 1.516 -0.354 0 N-CA-C 108.764 -0.828 . . . . 0.25 108.764 179.013 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 533' ' ' THR . . . . . 0.419 ' O ' HG23 ' A' ' 537' ' ' VAL . 34.0 p -96.83 152.22 18.9 Favored 'General case' 0 C--N 1.317 -0.807 0 N-CA-C 108.889 -0.782 . . . . 0.35 108.889 -178.585 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 534' ' ' GLU . . . . . 0.736 ' HA ' HD11 ' A' ' 552' ' ' LEU . 15.5 mp0 -64.98 -33.8 76.91 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-O 121.602 0.715 . . . . 1.64 109.106 176.445 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 535' ' ' ASN . . . . . . . . . . . . . 61.7 t30 -65.46 -48.14 73.71 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 114.561 -1.199 . . . . 1.82 111.277 -176.364 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 536' ' ' ASP . . . . . . . . . . . . . 39.5 m-20 -69.35 -45.66 68.89 Favored 'General case' 0 N--CA 1.476 0.85 0 CA-C-O 121.293 0.568 . . . . 0.61 111.475 -172.808 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 537' ' ' VAL . . . . . 0.419 HG23 ' O ' ' A' ' 533' ' ' THR . 44.3 t -59.63 -48.48 87.25 Favored 'Isoleucine or valine' 0 C--O 1.243 0.714 0 CA-C-N 114.862 -1.063 . . . . 0.15 110.024 -178.087 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 538' ' ' ILE . . . . . 0.747 HD11 ' CG ' ' A' ' 550' ' ' TYR . 33.0 mt -69.04 -32.54 54.73 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.894 0 CA-C-N 115.32 -0.855 . . . . 0.23 111.611 176.139 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 539' ' ' ASN . . . . . 0.455 ' HA ' HD11 ' A' ' 615' ' ' ILE . 10.2 m120 -57.94 -25.59 61.13 Favored 'General case' 0 CA--C 1.516 -0.344 0 N-CA-C 109.804 -0.443 . . . . 0.25 109.804 175.398 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 540' ' ' LEU . . . . . 0.432 HD11 HD12 ' A' ' 588' ' ' LEU . 89.7 mt -75.02 -42.59 57.02 Favored 'General case' 0 N--CA 1.45 -0.455 0 N-CA-C 109.874 -0.417 . . . . 0.27 109.874 173.604 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 541' ' ' GLY . . . . . 0.606 ' HA2' ' SD ' ' A' ' 572' ' ' MET . . . -69.25 -52.37 22.85 Favored Glycine 0 CA--C 1.525 0.712 0 N-CA-C 115.66 1.024 . . . . 0.19 115.66 -178.366 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 542' ' ' LEU . . . . . 0.501 ' HA ' ' O ' ' A' ' 545' ' ' GLY . 36.3 mt -55.83 -46.04 99.8 Favored Pre-proline 0 C--N 1.321 -0.65 0 N-CA-C 114.855 1.428 . . . . 0.2 114.855 -168.833 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 543' ' ' PRO . . . . . 0.45 ' HG3' HD13 ' A' ' 615' ' ' ILE . 42.4 Cg_exo -61.14 -22.07 73.56 Favored 'Trans proline' 0 C--N 1.349 0.586 0 C-N-CA 121.94 1.76 . . . . 0.23 113.336 -177.551 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 544' ' ' PHE . . . . . 0.475 ' HB2' ' HE2' ' A' ' 572' ' ' MET . 96.0 m-85 -99.95 -16.15 18.07 Favored 'General case' 0 C--N 1.33 -0.255 0 O-C-N 122.041 -0.412 . . . . 0.33 111.283 176.765 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 545' ' ' GLY . . . . . 0.501 ' O ' ' HA ' ' A' ' 542' ' ' LEU . . . 175.38 157.7 17.38 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.424 -0.894 . . . . 0.44 112.546 -178.869 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 546' ' ' LYS . . . . . . . . . . . . . 56.0 tptt -65.73 129.79 41.0 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.23 0.538 . . . . 2.07 111.665 -178.44 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 547' ' ' VAL . . . . . 0.591 HG21 HG23 ' A' ' 538' ' ' ILE . 81.8 t -94.53 116.0 34.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-N 115.254 -0.884 . . . . 0.2 110.115 176.24 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 548' ' ' THR . . . . . . . . . . . . . 22.7 p -93.65 -36.34 12.4 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.471 -0.331 . . . . 0.31 111.728 179.236 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 549' ' ' ASN . . . . . . . . . . . . . 88.4 m-20 -143.5 162.32 36.14 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.083 -0.508 . . . . 1.26 110.636 177.893 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 550' ' ' TYR . . . . . 0.747 ' CG ' HD11 ' A' ' 538' ' ' ILE . 4.6 p90 -162.31 154.15 18.65 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.762 -0.654 . . . . 0.31 109.651 -179.933 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 551' ' ' ILE . . . . . 0.501 ' HB ' ' HB2' ' A' ' 560' ' ' PHE . 41.2 mt -140.54 123.79 16.85 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.728 0 N-CA-C 108.144 -1.058 . . . . 0.22 108.144 -178.686 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 552' ' ' LEU . . . . . 0.736 HD11 ' HA ' ' A' ' 534' ' ' GLU . 20.3 mt -107.63 124.86 50.6 Favored 'General case' 0 C--N 1.311 -1.088 0 C-N-CA 119.298 -0.961 . . . . 0.43 110.272 -179.348 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 553' ' ' MET . . . . . 0.577 ' HA ' " H4'" ' B' ' 5' ' ' ' U' . 27.2 mtp -107.26 80.94 1.47 Allowed 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 108.326 -0.99 . . . . 1.03 108.326 -177.758 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 554' ' ' LYS . . . . . 0.488 ' HD2' ' HB2' ' A' ' 532' ' ' CYS . 22.8 mmtp -54.0 -29.11 41.93 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 114.862 -1.063 . . . . 1.03 112.498 176.706 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 555' ' ' SER . . . . . . . . . . . . . 63.6 p -69.03 -43.0 75.59 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 111.911 0.337 . . . . 0.51 111.911 -174.259 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 556' ' ' THR . . . . . 0.439 ' O ' ' HG3' ' A' ' 558' ' ' GLN . 41.2 p -102.82 7.93 39.39 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 112.81 0.67 . . . . 0.45 112.81 -174.695 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 557' ' ' ASN . . . . . . . . . . . . . 43.7 m-80 59.14 39.64 22.77 Favored 'General case' 0 N--CA 1.47 0.542 0 CA-C-O 121.595 0.712 . . . . 1.28 110.155 -176.093 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 558' ' ' GLN . . . . . 0.439 ' HG3' ' O ' ' A' ' 556' ' ' THR . 77.1 mt-30 -138.2 167.28 22.16 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.21 -0.905 . . . . 0.84 109.758 -175.238 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 559' ' ' ALA . . . . . 0.42 ' HB1' HD23 ' A' ' 552' ' ' LEU . . . -159.11 166.25 32.01 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.242 0.544 . . . . 0.16 112.102 177.859 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 560' ' ' PHE . . . . . 0.501 ' HB2' ' HB ' ' A' ' 551' ' ' ILE . 89.1 m-85 -120.84 147.47 45.34 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.452 -0.795 . . . . 0.35 110.439 174.423 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 561' ' ' LEU . . . . . 0.553 HD21 ' HA3' ' A' ' 541' ' ' GLY . 57.3 tp -135.02 119.19 17.64 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 115.478 -0.783 . . . . 0.2 109.672 -179.913 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 562' ' ' GLU . . . . . 0.434 ' HB2' HD12 ' A' ' 599' ' ' LEU . 33.3 tt0 -99.23 122.26 42.17 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.605 0.716 . . . . 2.09 110.222 179.124 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 563' ' ' MET . . . . . 0.681 ' SD ' ' HA ' ' A' ' 569' ' ' ALA . 34.4 mtt -108.73 146.8 32.95 Favored 'General case' 0 C--N 1.313 -0.979 0 CA-C-N 114.889 -1.051 . . . . 0.39 109.336 -176.844 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 564' ' ' ALA . . . . . . . . . . . . . . . -63.48 -24.04 67.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.631 -0.713 . . . . 0.5 112.3 -170.864 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 565' ' ' TYR . . . . . . . . . . . . . 76.6 m-85 -145.3 156.48 43.83 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.018 0.437 . . . . 1.15 110.808 -178.675 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 566' ' ' THR . . . . . . . . . . . . . 13.3 t -67.74 -27.17 66.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.344 -0.843 . . . . 0.57 110.241 -179.125 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 567' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -58.1 -33.68 69.36 Favored 'General case' 0 C--O 1.232 0.17 0 CA-C-N 115.665 -0.698 . . . . 0.89 110.861 178.209 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 568' ' ' ALA . . . . . 0.625 ' O ' ' HG3' ' A' ' 572' ' ' MET . . . -74.52 -42.48 58.83 Favored 'General case' 0 N--CA 1.448 -0.543 0 CA-C-N 115.828 -0.624 . . . . 0.26 110.352 -177.688 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 569' ' ' ALA . . . . . 0.681 ' HA ' ' SD ' ' A' ' 563' ' ' MET . . . -61.95 -45.34 94.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.708 -0.678 . . . . 0.24 111.822 -174.572 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 570' ' ' GLN . . . . . . . . . . . . . 28.6 pt20 -68.9 -36.58 78.21 Favored 'General case' 0 C--N 1.327 -0.393 0 C-N-CA 120.564 -0.455 . . . . 1.24 110.5 -177.625 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 571' ' ' ALA . . . . . . . . . . . . . . . -65.29 -43.12 92.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.207 -0.451 . . . . 0.31 111.028 -178.212 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 572' ' ' MET . . . . . 0.625 ' HG3' ' O ' ' A' ' 568' ' ' ALA . 25.4 mtt -69.0 -44.24 73.19 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.421 -0.354 . . . . 0.47 110.516 -179.577 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 573' ' ' VAL . . . . . 0.683 ' O ' ' HG2' ' A' ' 577' ' ' GLN . 72.6 t -59.91 -48.67 86.86 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.183 0 C-N-CA 120.983 -0.287 . . . . 0.34 110.33 179.46 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 574' ' ' GLN . . . . . . . . . . . . . 18.0 mm-40 -62.13 -36.23 81.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.319 -0.401 . . . . 2.09 111.032 -179.838 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 575' ' ' TYR . . . . . . . . . . . . . 85.5 t80 -66.41 -52.04 50.67 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.045 -0.525 . . . . 0.48 110.339 -179.364 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 576' ' ' TYR . . . . . 0.627 ' CE1' ' HB2' ' A' ' 581' ' ' ALA . 67.3 m-85 -76.79 -13.05 60.06 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 112.826 0.676 . . . . 0.36 112.826 -176.815 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 577' ' ' GLN . . . . . 0.683 ' HG2' ' O ' ' A' ' 573' ' ' VAL . 81.7 mm-40 -69.12 -42.69 75.71 Favored 'General case' 0 C--N 1.327 -0.396 0 C-N-CA 120.432 -0.507 . . . . 1.89 109.67 170.718 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 578' ' ' GLU . . . . . 0.498 ' HB2' ' HD2' ' A' ' 579' ' ' LYS . 70.2 mt-10 -86.46 -39.89 15.86 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.092 -0.504 . . . . 2.14 111.188 178.528 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 579' ' ' LYS . . . . . 0.498 ' HD2' ' HB2' ' A' ' 578' ' ' GLU . 6.5 mptt -131.82 87.11 46.13 Favored Pre-proline 0 C--N 1.329 -0.322 0 N-CA-C 109.82 -0.437 . . . . 2.46 109.82 179.553 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 580' ' ' PRO . . . . . . . . . . . . . 32.8 Cg_endo -64.52 160.82 37.84 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.593 2.195 . . . . 0.37 112.554 -178.031 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 581' ' ' ALA . . . . . 0.627 ' HB2' ' CE1' ' A' ' 576' ' ' TYR . . . -91.32 132.06 36.41 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 109.383 -0.599 . . . . 0.27 109.383 177.699 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 582' ' ' ILE . . . . . . . . . . . . . 71.7 mt -108.15 120.74 60.05 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.881 0 CA-C-O 121.016 0.436 . . . . 0.51 111.503 -173.792 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 583' ' ' ILE . . . . . . . . . . . . . 31.8 mm -123.19 117.84 52.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 115.645 -0.707 . . . . 0.51 109.097 175.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 584' ' ' ASN . . . . . . . . . . . . . 80.8 m-20 59.8 32.38 21.3 Favored 'General case' 0 N--CA 1.467 0.376 0 CA-C-O 121.17 0.51 . . . . 1.1 110.269 -177.068 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 585' ' ' GLY . . . . . . . . . . . . . . . 81.83 0.93 90.02 Favored Glycine 0 N--CA 1.447 -0.626 0 C-N-CA 120.914 -0.66 . . . . 0.44 112.98 -179.776 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 586' ' ' GLU . . . . . . . . . . . . . 35.0 mm-40 -102.24 126.67 49.29 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.887 0.344 . . . . 1.79 110.758 -177.791 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 587' ' ' LYS . . . . . . . . . . . . . 95.1 mttt -74.75 125.85 29.63 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.912 -0.586 . . . . 1.67 111.79 178.614 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 588' ' ' LEU . . . . . 0.432 HD12 HD11 ' A' ' 540' ' ' LEU . 43.1 mt -88.05 140.83 29.09 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.993 -0.549 . . . . 0.24 110.497 178.671 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 589' ' ' LEU . . . . . . . . . . . . . 42.2 tp -112.47 111.54 22.45 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.131 -0.486 . . . . 0.38 110.928 -179.33 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 590' ' ' ILE . . . . . 0.474 HD12 ' CD2' ' A' ' 576' ' ' TYR . 17.2 mt -101.34 125.51 55.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 N-CA-C 110.191 -0.3 . . . . 0.26 110.191 175.518 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 591' ' ' ARG . . . . . . . . . . . . . 31.2 mtp180 -147.63 164.11 34.53 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.346 -0.388 . . . . 2.62 110.55 -178.298 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 592' ' ' MET . . . . . . . . . . . . . 65.4 mtt -82.34 140.42 33.54 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 109.234 -0.654 . . . . 0.34 109.234 176.567 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 593' ' ' SER . . . . . 0.588 ' HB3' ' O2 ' ' B' ' 3' ' ' ' C' . 23.6 m -87.25 136.82 32.79 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.158 0.504 . . . . 1.37 111.647 -173.784 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 594' ' ' THR . . . . . . . . . . . . . 18.8 p -91.57 -13.38 32.11 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.017 -0.992 . . . . 0.38 112.886 -175.276 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 595' ' ' ARG . . . . . 0.437 ' HD2' " O2'" ' B' ' 3' ' ' ' C' . 96.3 mtt180 -102.22 -28.94 12.0 Favored 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 112.724 0.639 . . . . 2.75 112.724 -170.315 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 596' ' ' TYR . . . . . . . . . . . . . 87.9 m-85 -127.9 148.92 50.5 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.747 0.308 . . . . 0.65 111.479 -178.22 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 597' ' ' LYS . . . . . . . . . . . . . 1.5 mtmt -110.77 -6.37 14.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.727 -0.67 . . . . 2.18 112.769 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 598' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -142.45 150.51 40.67 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.101 0.477 . . . . 0.95 110.936 -179.119 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 599' ' ' LEU . . . . . 0.712 HD21 HG13 ' A' ' 521' ' ' VAL . 80.5 mt -118.62 121.62 40.61 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.29 -0.868 . . . . 0.45 110.745 176.594 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 600' ' ' GLN . . . . . . . . . . . . . 25.2 tt0 -114.16 129.9 56.61 Favored 'General case' 0 C--N 1.32 -0.676 0 N-CA-C 109.392 -0.596 . . . . 1.52 109.392 177.408 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 601' ' ' LEU . . . . . . . . . . . . . 39.2 mt -78.82 94.92 5.25 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.037 0.446 . . . . 0.46 110.813 -179.369 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 602' ' ' LYS . . . . . . . . . . . . . 56.0 mtpt -77.64 -24.76 49.4 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.744 -0.662 . . . . 1.73 109.8 175.35 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 603' ' ' LYS . . . . . 0.479 ' HB2' ' N3 ' ' B' ' 5' ' ' ' U' . 12.3 mptt -120.74 127.66 26.15 Favored Pre-proline 0 C--N 1.325 -0.472 0 CA-C-N 115.363 -0.835 . . . . 1.69 109.543 172.468 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 604' ' ' PRO . . . . . . . . . . . . . 44.2 Cg_endo -67.82 165.79 26.64 Favored 'Trans proline' 0 C--O 1.235 0.36 0 C-N-CA 122.833 2.355 . . . . 1.21 112.517 -178.678 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 605' ' ' GLY . . . . . . . . . . . . . . . -138.08 -178.35 16.04 Favored Glycine 0 N--CA 1.441 -1.03 0 C-N-CA 120.999 -0.619 . . . . 1.23 112.225 -177.523 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 606' ' ' LYS . . . . . . . . . . . . . 54.3 mttp -79.61 161.34 25.97 Favored 'General case' 0 C--N 1.316 -0.88 0 N-CA-C 109.42 -0.585 . . . . 3.47 109.42 176.866 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 607' ' ' ASN . . . . . . . . . . . . . 47.8 t-20 -64.33 127.14 30.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.041 0.448 . . . . 1.33 110.587 178.067 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 608' ' ' VAL . . . . . 0.575 HG13 HG21 ' A' ' 538' ' ' ILE . 98.5 t -75.4 -21.2 16.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-N 115.511 -0.768 . . . . 0.3 111.293 -177.397 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 609' ' ' ALA . . . . . . . . . . . . . . . -65.21 -37.83 88.54 Favored 'General case' 0 C--O 1.236 0.363 0 CA-C-O 121.283 0.563 . . . . 0.44 110.322 177.148 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 610' ' ' ALA . . . . . . . . . . . . . . . -62.9 -29.84 71.08 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.502 -0.772 . . . . 0.4 109.987 176.635 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 611' ' ' ILE . . . . . 0.525 ' CD1' HD12 ' A' ' 538' ' ' ILE . 66.0 mt -70.52 -32.98 51.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 115.415 -0.812 . . . . 0.25 109.808 -179.556 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 612' ' ' ILE . . . . . 0.48 HG12 HD13 ' A' ' 542' ' ' LEU . 64.2 mt -60.37 -44.09 95.24 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.196 0 CA-C-O 121.141 0.496 . . . . 0.31 109.775 173.803 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 613' ' ' GLN . . . . . . . . . . . . . 12.6 mm100 -63.88 -30.37 71.47 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.845 -0.616 . . . . 2.31 110.616 178.75 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 614' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -69.07 -33.58 73.78 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.548 -0.751 . . . . 1.95 110.914 178.232 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 615' ' ' ILE . . . . . 0.455 HD11 ' HA ' ' A' ' 539' ' ' ASN . 83.8 mt -72.95 -41.79 60.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-N 116.278 -0.419 . . . . 0.35 110.714 177.433 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 616' ' ' HIS . . . . . 0.437 ' HD2' ' O ' ' A' ' 612' ' ' ILE . 43.4 m-70 -69.49 -32.83 71.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.01 -0.541 . . . . 1.26 111.698 -179.89 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 617' ' ' SER . . . . . . . . . . . . . 10.2 p -70.56 -21.9 62.65 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 109.402 -0.592 . . . . 1.18 109.402 172.302 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 618' ' ' GLN . . . . . . . . . . . . . 90.8 mt-30 81.98 5.86 1.13 Allowed 'General case' 0 N--CA 1.466 0.344 0 CA-C-N 114.585 -1.188 . . . . 4.68 111.5 172.888 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 619' ' ' ARG . . . . . . . . . . . . . 27.8 mmm180 58.64 -167.81 0.15 Allowed 'General case' 0 C--O 1.233 0.236 0 O-C-N 123.601 0.563 . . . . 7.77 111.36 178.342 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 620' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -145.99 77.93 1.51 Allowed 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.876 -0.602 . . . . 7.92 109.386 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 621' ' ' ARG . . . . . . . . . . . . . 34.3 ptt180 . . . . . 0 C--O 1.248 0.977 0 CA-C-O 118.006 -0.997 . . . . 11.0 111.294 -178.864 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 1' ' ' ADN . . . . . 0.541 " H2'" ' C6 ' ' B' ' 2' ' ' ' U' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 2' ' ' ' U' . . . . . 0.541 ' C6 ' " H2'" ' B' ' 1' ' ' ADN . . . . . . . . 0 O5'--C5' 1.427 -0.83 0 C3'-C2'-C1' 100.033 -1.63 . 0.0 '__' . 2.99 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 3' ' ' ' C' . . . . . 0.646 ' N3 ' ' HA ' ' A' ' 593' ' ' SER . . . . . . . . 0 O5'--C5' 1.425 -0.954 0 C4'-C3'-C2' 103.902 1.202 . 0.024 2[ . 1.58 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 4' ' ' ' U' . . . . . 0.427 ' O2 ' ' H5 ' ' B' ' 5' ' ' ' U' . . . . . . . . 0 O5'--C5' 1.423 -1.082 0 C3'-C2'-C1' 99.906 -1.771 . 0.0 OUTLIER . 1.15 . . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 5' ' ' ' U' . . . . . 0.869 " H4'" ' HA ' ' A' ' 553' ' ' MET . . . . . . . . 0 O5'--C5' 1.425 -0.95 0 C4'-C3'-C2' 104.129 1.429 . 0.0 OUTLIER alpha 1.33 . . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 6' ' ' ' A' . . . . . 0.409 ' OP2' ' C8 ' ' B' ' 6' ' ' ' A' . . . . . . . . 0 O5'--C5' 1.426 -0.886 0 C3'-C2'-C1' 99.722 -1.975 . 0.0 OUTLIER gamma 4.23 . . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 510' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.57 0 N-CA-C 111.627 -0.589 . . . . 8.88 111.627 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 511' ' ' ALA . . . . . 0.432 ' O ' ' HB3' ' A' ' 512' ' ' MET . . . -131.38 -68.38 0.66 Allowed 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.939 0.37 . . . . 6.64 111.069 -179.544 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 512' ' ' MET . . . . . 0.432 ' HB3' ' O ' ' A' ' 511' ' ' ALA . 51.2 ttp 69.96 127.49 0.03 OUTLIER 'General case' 0 N--CA 1.468 0.45 0 O-C-N 123.803 0.69 . . . . 6.33 110.951 -176.323 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 513' ' ' ALA . . . . . . . . . . . . . . . -71.62 101.75 2.59 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.925 -0.58 . . . . 4.2 110.723 179.617 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 514' ' ' GLN . . . . . . . . . . . . . 78.1 mt-30 -74.7 -176.66 2.9 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.512 -0.767 . . . . 2.88 110.763 177.259 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 515' ' ' ARG . . . . . . . . . . . . . 91.9 mtt180 -58.01 120.17 8.08 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 110.179 -0.304 . . . . 4.0 110.179 177.153 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 516' ' ' LYS . . . . . 0.436 ' O ' ' HB ' ' A' ' 566' ' ' THR . 38.2 mmtm -140.06 48.43 1.78 Allowed 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.307 0.575 . . . . 1.89 109.742 -178.284 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 517' ' ' GLY . . . . . . . . . . . . . . . -82.48 -72.96 1.24 Allowed Glycine 0 N--CA 1.45 -0.394 0 CA-C-N 115.682 -0.69 . . . . 2.04 112.078 -178.256 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 518' ' ' ALA . . . . . . . . . . . . . . . -102.92 -21.17 14.02 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.345 0.593 . . . . 1.75 110.073 177.138 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 519' ' ' GLY . . . . . . . . . . . . . . . -110.59 106.5 2.09 Favored Glycine 0 N--CA 1.446 -0.675 0 CA-C-N 114.75 -1.114 . . . . 0.67 110.789 177.556 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 520' ' ' ARG . . . . . 0.412 ' HG2' ' HB3' ' A' ' 516' ' ' LYS . 18.7 mtm-85 -124.14 133.76 53.5 Favored 'General case' 0 N--CA 1.447 -0.61 0 CA-C-O 121.188 0.518 . . . . 2.22 110.988 -178.546 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 521' ' ' VAL . . . . . 0.644 HG13 HD21 ' A' ' 599' ' ' LEU . 61.0 t -118.95 121.6 67.24 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.75 0 CA-C-N 115.394 -0.821 . . . . 0.32 109.978 166.457 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 522' ' ' VAL . . . . . 0.556 ' HB ' ' O ' ' A' ' 561' ' ' LEU . 25.4 t -119.67 121.16 65.52 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.955 0 N-CA-C 107.705 -1.22 . . . . 0.22 107.705 175.495 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 523' ' ' HIS . . . . . . . . . . . . . 50.5 t-80 -106.21 131.44 53.45 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-O 121.167 0.508 . . . . 0.44 110.678 -171.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 524' ' ' ILE . . . . . 0.471 HD11 HD22 ' A' ' 561' ' ' LEU . 26.9 mt -111.09 137.19 44.61 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.96 0 N-CA-C 108.295 -1.002 . . . . 0.19 108.295 177.556 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 525' ' ' CYS . . . . . 0.465 ' SG ' ' HB3' ' A' ' 589' ' ' LEU . 7.5 p -134.4 163.62 29.27 Favored 'General case' 0 C--N 1.313 -1.003 0 C-N-CA 120.491 -0.484 . . . . 1.17 111.781 -175.146 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 526' ' ' ASN . . . . . 0.426 ' HB2' ' O ' ' A' ' 525' ' ' CYS . 80.4 m-20 85.47 29.95 0.05 OUTLIER 'General case' 0 N--CA 1.466 0.352 0 O-C-N 124.889 1.368 . . . . 0.26 110.758 174.775 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 527' ' ' LEU . . . . . . . . . . . . . 80.9 mt -83.77 123.75 75.77 Favored Pre-proline 0 C--N 1.324 -0.542 0 N-CA-C 109.136 -0.69 . . . . 0.25 109.136 178.133 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 528' ' ' PRO . . . . . 0.487 ' HG2' ' HB2' ' A' ' 531' ' ' SER . 19.6 Cg_endo -70.65 133.42 23.9 Favored 'Trans proline' 0 N--CA 1.455 -0.759 0 C-N-CA 121.2 1.266 . . . . 0.38 111.485 179.609 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 529' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -67.84 137.93 55.7 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 108.964 -0.754 . . . . 1.6 108.964 179.76 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 530' ' ' GLY . . . . . . . . . . . . . . . 88.22 4.55 77.53 Favored Glycine 0 N--CA 1.445 -0.746 0 C-N-CA 120.064 -1.065 . . . . 0.48 110.539 -172.059 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 531' ' ' SER . . . . . 0.487 ' HB2' ' HG2' ' A' ' 528' ' ' PRO . 68.9 m -149.24 6.53 0.67 Allowed 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.047 -0.576 . . . . 1.08 109.882 -174.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 532' ' ' CYS . . . . . . . . . . . . . 61.1 m -89.44 84.45 6.42 Favored 'General case' 0 CA--C 1.516 -0.346 0 N-CA-C 109.189 -0.671 . . . . 0.25 109.189 179.505 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 533' ' ' THR . . . . . 0.525 ' O ' HG23 ' A' ' 537' ' ' VAL . 28.8 p -99.53 152.14 20.36 Favored 'General case' 0 N--CA 1.443 -0.784 0 N-CA-C 108.695 -0.854 . . . . 0.35 108.695 -178.879 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 534' ' ' GLU . . . . . 0.527 ' N ' HD11 ' A' ' 552' ' ' LEU . 37.2 mt-10 -66.47 -34.38 77.8 Favored 'General case' 0 C--N 1.319 -0.758 0 N-CA-C 108.793 -0.818 . . . . 1.64 108.793 176.683 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 535' ' ' ASN . . . . . . . . . . . . . 66.0 t30 -63.28 -49.13 75.28 Favored 'General case' 0 C--O 1.214 -0.764 0 CA-C-N 114.553 -1.203 . . . . 1.82 111.202 -176.338 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 536' ' ' ASP . . . . . . . . . . . . . 49.6 m-20 -69.48 -43.03 74.02 Favored 'General case' 0 N--CA 1.474 0.764 0 CA-C-O 121.428 0.632 . . . . 0.61 111.156 -172.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 537' ' ' VAL . . . . . 0.525 HG23 ' O ' ' A' ' 533' ' ' THR . 38.7 t -59.96 -47.7 90.67 Favored 'Isoleucine or valine' 0 C--O 1.242 0.681 0 CA-C-N 114.964 -1.016 . . . . 0.15 109.921 -179.597 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 538' ' ' ILE . . . . . 0.667 HD11 ' CG ' ' A' ' 550' ' ' TYR . 71.5 mt -68.44 -33.44 60.22 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.752 0 CA-C-N 115.129 -0.941 . . . . 0.23 111.501 176.065 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 539' ' ' ASN . . . . . 0.578 ' HA ' HD11 ' A' ' 615' ' ' ILE . 12.2 m120 -58.23 -27.73 64.22 Favored 'General case' 0 CA--C 1.514 -0.438 0 N-CA-C 110.366 -0.235 . . . . 0.25 110.366 177.214 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 540' ' ' LEU . . . . . 0.576 HD11 HD12 ' A' ' 588' ' ' LEU . 84.7 mt -75.86 -41.08 53.31 Favored 'General case' 0 C--N 1.324 -0.514 0 C-N-CA 120.622 -0.431 . . . . 0.27 110.351 173.765 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 541' ' ' GLY . . . . . 0.523 ' HA3' HD21 ' A' ' 561' ' ' LEU . . . -64.96 -52.4 42.26 Favored Glycine 0 CA--C 1.523 0.565 0 N-CA-C 115.44 0.936 . . . . 0.19 115.44 -179.751 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 542' ' ' LEU . . . . . 0.491 ' HB2' ' CD1' ' A' ' 615' ' ' ILE . 62.8 mt -56.63 -46.34 99.84 Favored Pre-proline 0 C--N 1.322 -0.606 0 N-CA-C 114.999 1.481 . . . . 0.2 114.999 -168.428 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 543' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -57.87 -26.6 74.88 Favored 'Trans proline' 0 C--N 1.35 0.612 0 C-N-CA 122.138 1.892 . . . . 0.23 113.984 -175.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 544' ' ' PHE . . . . . . . . . . . . . 97.0 m-85 -100.01 -16.46 17.91 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-O 120.835 0.35 . . . . 0.33 111.174 178.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 545' ' ' GLY . . . . . 0.475 ' O ' ' HA ' ' A' ' 542' ' ' LEU . . . 178.31 154.53 12.72 Favored Glycine 0 N--CA 1.447 -0.579 0 C-N-CA 120.765 -0.731 . . . . 0.44 112.057 179.79 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 546' ' ' LYS . . . . . . . . . . . . . 40.3 ttmt -66.42 131.34 45.85 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 121.04 0.448 . . . . 2.07 111.17 -177.191 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 547' ' ' VAL . . . . . 0.578 HG21 HG23 ' A' ' 538' ' ' ILE . 69.1 t -89.56 115.32 28.97 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-N 115.719 -0.673 . . . . 0.2 110.448 177.53 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 548' ' ' THR . . . . . . . . . . . . . 25.8 p -93.44 -35.23 13.09 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.252 -0.431 . . . . 0.31 111.251 -179.851 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 549' ' ' ASN . . . . . . . . . . . . . 91.9 m-20 -142.51 160.05 41.05 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.128 -0.487 . . . . 1.26 110.642 178.643 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 550' ' ' TYR . . . . . 0.667 ' CG ' HD11 ' A' ' 538' ' ' ILE . 4.8 p90 -161.13 151.46 17.74 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.637 -0.71 . . . . 0.31 109.228 -178.595 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 551' ' ' ILE . . . . . 0.639 HG23 ' C2 ' ' B' ' 5' ' ' ' U' . 62.5 mt -145.5 126.91 8.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 N-CA-C 108.365 -0.976 . . . . 0.22 108.365 -177.027 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 552' ' ' LEU . . . . . 0.527 HD11 ' N ' ' A' ' 534' ' ' GLU . 22.2 mt -106.26 124.85 50.23 Favored 'General case' 0 C--N 1.315 -0.903 0 C-N-CA 120.006 -0.678 . . . . 0.43 110.923 -178.39 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 553' ' ' MET . . . . . 0.869 ' HA ' " H4'" ' B' ' 5' ' ' ' U' . 42.7 mtp -108.37 80.28 1.34 Allowed 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 108.82 -0.807 . . . . 1.03 108.82 -179.332 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 554' ' ' LYS . . . . . . . . . . . . . 26.3 mmtp -54.03 -29.49 43.89 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 114.478 -1.237 . . . . 1.03 113.011 175.776 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 555' ' ' SER . . . . . . . . . . . . . 65.7 p -69.33 -44.63 71.27 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 120.729 0.3 . . . . 0.51 111.699 -173.37 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 556' ' ' THR . . . . . . . . . . . . . 41.1 p -102.2 7.5 40.84 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 112.753 0.649 . . . . 0.45 112.753 -175.283 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 557' ' ' ASN . . . . . . . . . . . . . 19.1 m120 60.46 39.91 17.79 Favored 'General case' 0 N--CA 1.471 0.596 0 CA-C-O 121.663 0.745 . . . . 1.28 110.29 -176.316 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 558' ' ' GLN . . . . . . . . . . . . . 77.4 mt-30 -135.61 168.4 19.33 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.028 -0.987 . . . . 0.84 109.647 -174.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 559' ' ' ALA . . . . . . . . . . . . . . . -158.95 165.59 33.76 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.093 0.473 . . . . 0.16 111.547 176.467 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 560' ' ' PHE . . . . . 0.568 ' HB2' ' HB ' ' A' ' 551' ' ' ILE . 85.0 m-85 -119.46 145.09 46.59 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.95 -0.568 . . . . 0.35 110.142 176.075 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 561' ' ' LEU . . . . . 0.556 ' O ' ' HB ' ' A' ' 522' ' ' VAL . 54.0 tp -135.05 119.4 17.85 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.721 -0.672 . . . . 0.2 110.05 -179.409 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 562' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -101.08 136.11 41.45 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.283 0.563 . . . . 2.09 109.842 177.501 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 563' ' ' MET . . . . . 0.587 ' SD ' ' HA ' ' A' ' 569' ' ' ALA . 40.5 mtt -120.77 164.95 15.82 Favored 'General case' 0 C--N 1.317 -0.84 0 CA-C-N 115.263 -0.88 . . . . 0.39 110.03 -170.329 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 564' ' ' ALA . . . . . . . . . . . . . . . -59.1 -43.34 91.85 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 120.834 0.349 . . . . 0.5 111.94 -175.631 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 565' ' ' TYR . . . . . 0.415 ' HB2' ' HG2' ' A' ' 567' ' ' GLU . 96.9 m-85 -144.37 162.72 35.76 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.245 -0.434 . . . . 1.15 110.993 -177.032 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 566' ' ' THR . . . . . 0.436 ' HB ' ' O ' ' A' ' 516' ' ' LYS . 13.3 t -62.6 -27.15 69.0 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.675 -0.693 . . . . 0.57 110.836 179.342 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 567' ' ' GLU . . . . . 0.415 ' HG2' ' HB2' ' A' ' 565' ' ' TYR . 10.3 pt-20 -61.33 -32.28 72.15 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.945 -0.57 . . . . 0.89 110.807 176.636 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 568' ' ' ALA . . . . . 0.677 ' O ' ' HG3' ' A' ' 572' ' ' MET . . . -72.56 -41.47 65.7 Favored 'General case' 0 N--CA 1.448 -0.531 0 N-CA-C 109.402 -0.592 . . . . 0.26 109.402 -179.463 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 569' ' ' ALA . . . . . 0.587 ' HA ' ' SD ' ' A' ' 563' ' ' MET . . . -64.15 -45.76 87.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.77 -0.65 . . . . 0.24 111.083 -178.448 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 570' ' ' GLN . . . . . . . . . . . . . 14.0 pt20 -64.8 -35.99 82.87 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.257 -0.429 . . . . 1.24 110.62 -177.039 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 571' ' ' ALA . . . . . . . . . . . . . . . -67.5 -45.16 76.65 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.242 -0.435 . . . . 0.31 111.021 179.539 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 572' ' ' MET . . . . . 0.677 ' HG3' ' O ' ' A' ' 568' ' ' ALA . 25.4 mtt -69.27 -44.22 72.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 0.47 110.849 -178.246 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 573' ' ' VAL . . . . . 0.584 ' O ' ' HG3' ' A' ' 577' ' ' GLN . 75.1 t -59.01 -46.71 91.52 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.263 0 CA-C-N 116.796 -0.183 . . . . 0.34 110.555 -178.524 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 574' ' ' GLN . . . . . . . . . . . . . 48.7 mt-30 -62.21 -37.39 85.16 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.853 0.359 . . . . 2.09 110.902 178.288 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 575' ' ' TYR . . . . . . . . . . . . . 92.9 t80 -68.27 -53.2 26.14 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.041 -0.527 . . . . 0.48 110.858 -176.908 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 576' ' ' TYR . . . . . 0.583 ' CD2' HD12 ' A' ' 590' ' ' ILE . 94.4 m-85 -76.41 -13.3 60.13 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 113.055 0.761 . . . . 0.36 113.055 -174.567 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 577' ' ' GLN . . . . . 0.584 ' HG3' ' O ' ' A' ' 573' ' ' VAL . 43.7 mt-30 -71.05 -43.21 68.3 Favored 'General case' 0 C--N 1.327 -0.387 0 C-N-CA 120.229 -0.588 . . . . 1.89 110.168 173.367 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 578' ' ' GLU . . . . . . . . . . . . . 32.8 mt-10 -91.86 -37.13 13.1 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.066 -0.515 . . . . 2.14 111.346 -179.615 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 579' ' ' LYS . . . . . . . . . . . . . 93.4 mttt -124.39 82.45 58.19 Favored Pre-proline 0 C--N 1.325 -0.499 0 N-CA-C 109.594 -0.521 . . . . 2.46 109.594 176.332 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 580' ' ' PRO . . . . . . . . . . . . . 37.0 Cg_endo -65.94 160.32 44.77 Favored 'Trans proline' 0 C--O 1.232 0.224 0 C-N-CA 122.577 2.185 . . . . 0.37 112.464 -177.859 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 581' ' ' ALA . . . . . . . . . . . . . . . -91.59 139.04 31.08 Favored 'General case' 0 CA--C 1.513 -0.472 0 CA-C-N 116.268 -0.424 . . . . 0.27 110.058 -179.462 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 582' ' ' ILE . . . . . . . . . . . . . 26.3 mt -104.48 118.87 52.47 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 CA-C-O 120.973 0.416 . . . . 0.51 111.014 -176.672 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 583' ' ' ILE . . . . . 0.447 HG13 HD11 ' A' ' 588' ' ' LEU . 29.3 mm -121.14 111.16 30.37 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 115.921 -0.582 . . . . 0.51 109.589 172.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 584' ' ' ASN . . . . . . . . . . . . . 96.3 m-20 50.8 44.01 28.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.553 0.692 . . . . 1.1 110.559 179.47 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 585' ' ' GLY . . . . . . . . . . . . . . . 85.56 -3.6 86.92 Favored Glycine 0 N--CA 1.449 -0.48 0 CA-C-N 114.696 -1.138 . . . . 0.44 114.669 176.649 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 586' ' ' GLU . . . . . . . . . . . . . 74.1 mm-40 -100.46 126.24 46.85 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 117.939 0.869 . . . . 1.79 111.31 -179.337 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 587' ' ' LYS . . . . . . . . . . . . . 42.5 mmtm -75.96 119.72 20.3 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.419 -0.809 . . . . 1.67 110.531 174.231 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 588' ' ' LEU . . . . . 0.576 HD12 HD11 ' A' ' 540' ' ' LEU . 42.5 mt -91.05 137.61 32.23 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 116.192 -0.458 . . . . 0.24 110.887 -179.858 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 589' ' ' LEU . . . . . 0.465 ' HB3' ' SG ' ' A' ' 525' ' ' CYS . 43.5 tp -114.69 121.9 44.79 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.803 -0.635 . . . . 0.38 110.532 179.793 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 590' ' ' ILE . . . . . 0.583 HD12 ' CD2' ' A' ' 576' ' ' TYR . 24.5 mt -106.49 122.6 60.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 116.584 -0.28 . . . . 0.26 110.276 177.267 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 591' ' ' ARG . . . . . . . . . . . . . 49.4 mtp180 -147.47 166.63 26.67 Favored 'General case' 0 N--CA 1.465 0.279 0 C-N-CA 122.569 0.348 . . . . 2.62 110.21 -177.564 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 592' ' ' MET . . . . . . . . . . . . . 63.7 mtt -81.37 150.96 28.19 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.614 0.245 . . . . 0.34 110.366 -178.307 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 593' ' ' SER . . . . . 0.646 ' HA ' ' N3 ' ' B' ' 3' ' ' ' C' . 36.2 t -86.18 136.48 33.18 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.326 0.584 . . . . 1.37 111.442 -178.229 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 594' ' ' THR . . . . . . . . . . . . . 19.2 p -90.09 -20.04 23.63 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 114.777 -1.101 . . . . 0.38 111.685 179.084 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 595' ' ' ARG . . . . . 0.531 ' HD3' " H2'" ' B' ' 3' ' ' ' C' . 68.6 mtp180 -103.52 -30.02 10.78 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 112.633 0.605 . . . . 2.75 112.633 -171.487 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 596' ' ' TYR . . . . . . . . . . . . . 85.6 m-85 -116.02 141.62 47.88 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.167 0.508 . . . . 0.65 111.911 -175.206 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 597' ' ' LYS . . . . . 0.499 ' N ' ' HD2' ' A' ' 597' ' ' LYS . 0.1 OUTLIER -109.45 -12.95 14.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.496 -0.775 . . . . 2.18 111.409 177.971 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 598' ' ' GLU . . . . . . . . . . . . . 40.8 tt0 -143.63 150.91 39.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.129 0.49 . . . . 0.95 111.356 -179.779 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 599' ' ' LEU . . . . . 0.644 HD21 HG13 ' A' ' 521' ' ' VAL . 78.9 mt -119.83 121.58 39.42 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.315 -0.857 . . . . 0.45 110.303 174.239 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 600' ' ' GLN . . . . . . . . . . . . . 15.6 pt20 -113.85 136.57 52.72 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 109.522 -0.547 . . . . 1.52 109.522 174.189 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 601' ' ' LEU . . . . . . . . . . . . . 73.7 mt -80.34 99.08 7.73 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 116.229 -0.441 . . . . 0.46 110.976 -176.537 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 602' ' ' LYS . . . . . 0.414 ' HE2' ' O2 ' ' B' ' 4' ' ' ' U' . 54.2 mtmt -86.42 -10.89 53.35 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.904 -0.589 . . . . 1.73 110.198 175.804 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 603' ' ' LYS . . . . . . . . . . . . . 33.7 mmtp -116.98 151.35 47.36 Favored Pre-proline 0 C--N 1.323 -0.551 0 CA-C-N 115.821 -0.627 . . . . 1.69 109.331 175.578 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 604' ' ' PRO . . . . . . . . . . . . . 19.5 Cg_endo -59.93 144.71 99.43 Favored 'Trans proline' 0 C--O 1.235 0.373 0 C-N-CA 123.023 2.482 . . . . 1.21 112.899 -177.661 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 605' ' ' GLY . . . . . . . . . . . . . . . -116.52 124.34 6.16 Favored Glycine 0 N--CA 1.441 -0.988 0 C-N-CA 120.873 -0.679 . . . . 1.23 112.558 -178.064 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 606' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -71.45 150.33 45.02 Favored 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 108.523 -0.917 . . . . 3.47 108.523 172.766 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 607' ' ' ASN . . . . . . . . . . . . . 26.9 t-20 -58.25 121.63 11.22 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.21 0.529 . . . . 1.33 110.916 179.596 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 608' ' ' VAL . . . . . 0.561 HG11 ' HB ' ' A' ' 547' ' ' VAL . 76.0 t -81.66 -23.2 10.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-N 115.513 -0.767 . . . . 0.3 111.511 -174.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 609' ' ' ALA . . . . . . . . . . . . . . . -62.58 -34.22 76.53 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.324 0.583 . . . . 0.44 110.224 174.479 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 610' ' ' ALA . . . . . . . . . . . . . . . -65.42 -27.58 68.64 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.761 -0.654 . . . . 0.4 110.186 175.207 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 611' ' ' ILE . . . . . 0.417 ' HB ' ' O ' ' A' ' 608' ' ' VAL . 71.7 mt -71.39 -31.41 43.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 115.755 -0.657 . . . . 0.25 109.671 177.091 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 612' ' ' ILE . . . . . 0.434 ' O ' ' HD2' ' A' ' 616' ' ' HIS . 63.1 mt -60.74 -43.74 95.82 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.22 0 CA-C-O 121.172 0.511 . . . . 0.31 109.69 173.424 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 613' ' ' GLN . . . . . . . . . . . . . 26.4 mm-40 -64.57 -30.59 71.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.721 0.772 . . . . 2.31 109.454 178.433 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 614' ' ' ASP . . . . . 0.459 ' O ' ' HG3' ' A' ' 618' ' ' GLN . 5.4 t70 -66.99 -42.17 85.52 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 114.597 -1.183 . . . . 1.95 109.726 179.72 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 615' ' ' ILE . . . . . 0.578 HD11 ' HA ' ' A' ' 539' ' ' ASN . 79.3 mt -65.1 -38.78 83.58 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 115.987 -0.551 . . . . 0.35 110.924 178.771 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 616' ' ' HIS . . . . . 0.434 ' HD2' ' O ' ' A' ' 612' ' ' ILE . 53.2 m-70 -64.51 -28.1 69.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.934 0.397 . . . . 1.26 110.494 177.352 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 617' ' ' SER . . . . . . . . . . . . . 18.4 m -75.39 -25.26 57.47 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.076 -0.511 . . . . 1.18 110.35 174.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 618' ' ' GLN . . . . . 0.459 ' HG3' ' O ' ' A' ' 614' ' ' ASP . 77.7 mt-30 -92.3 178.28 5.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.694 -0.684 . . . . 4.68 110.959 -179.088 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 619' ' ' ARG . . . . . . . . . . . . . 64.4 mtt180 -138.76 90.67 2.47 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.294 -0.866 . . . . 7.77 109.228 171.307 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 620' ' ' GLU . . . . . . . . . . . . . 1.9 pm0 -61.29 145.61 50.78 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-N 115.939 -0.573 . . . . 7.92 111.515 -176.285 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 621' ' ' ARG . . . . . . . . . . . . . 63.2 ttp180 . . . . . 0 C--O 1.246 0.894 0 CA-C-O 118.537 -0.744 . . . . 11.0 109.769 179.425 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 1' ' ' ADN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 2' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.943 0 C3'-C2'-C1' 99.419 -2.312 . 0.0 '__' . 2.99 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 3' ' ' ' C' . . . . . 0.633 ' O2 ' ' HB3' ' A' ' 593' ' ' SER . . . . . . . . 0 O5'--C5' 1.428 -0.752 0 C3'-C2'-C1' 100.636 -0.96 . 0.0 OUTLIER gamma 1.58 . . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 4' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.82 0 O4'-C1'-N19 109.685 1.485 . 0.0 OUTLIER gamma 1.15 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 5' ' ' ' U' . . . . . 0.68 ' N3 ' HG23 ' A' ' 551' ' ' ILE . . . . . . . . 0 O5'--C5' 1.426 -0.873 0 C4'-C3'-C2' 104.066 1.366 . 0.535 4b . 1.33 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 6' ' ' ' A' . . . . . 0.438 ' H2 ' " O2'" ' B' ' 5' ' ' ' U' . . . . . . . . 0 O5'--C5' 1.426 -0.886 0 C4'-C3'-C2' 103.812 1.112 . 0.0 OUTLIER . 4.23 . . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 510' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.926 0 N-CA-C 112.375 -0.29 . . . . 8.88 112.375 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 511' ' ' ALA . . . . . . . . . . . . . . . -94.78 -176.84 4.0 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 110.071 -0.344 . . . . 6.64 110.071 177.418 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 512' ' ' MET . . . . . . . . . . . . . 25.9 ttt 60.81 88.58 0.08 Allowed 'General case' 0 C--O 1.237 0.403 0 O-C-N 123.63 0.581 . . . . 6.33 109.481 -177.059 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 513' ' ' ALA . . . . . . . . . . . . . . . 64.09 76.05 0.36 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.304 -0.862 . . . . 4.2 108.82 -169.05 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 514' ' ' GLN . . . . . . . . . . . . . 49.1 mt-30 -52.67 115.45 1.81 Allowed 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.278 -0.874 . . . . 2.88 111.432 -173.616 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 515' ' ' ARG . . . . . 0.407 ' HA ' ' HD3' ' A' ' 515' ' ' ARG . 3.7 mmt180 -71.12 111.53 6.55 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.242 -0.89 . . . . 4.0 109.978 -177.365 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 516' ' ' LYS . . . . . 0.539 ' HA ' ' O ' ' A' ' 519' ' ' GLY . 40.8 mmtm -141.29 35.65 1.69 Allowed 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.859 -0.61 . . . . 1.89 109.783 -178.199 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 517' ' ' GLY . . . . . . . . . . . . . . . -94.22 -74.95 1.27 Allowed Glycine 0 N--CA 1.449 -0.464 0 CA-C-N 115.648 -0.705 . . . . 2.04 112.272 -177.59 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 518' ' ' ALA . . . . . . . . . . . . . . . -83.04 -10.89 58.51 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.517 0.675 . . . . 1.75 110.432 179.862 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 519' ' ' GLY . . . . . 0.539 ' O ' ' HA ' ' A' ' 516' ' ' LYS . . . -147.84 138.67 7.26 Favored Glycine 0 N--CA 1.443 -0.844 0 CA-C-N 114.988 -1.005 . . . . 0.67 110.83 177.813 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 520' ' ' ARG . . . . . . . . . . . . . 19.3 mtm-85 -129.32 133.87 47.64 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 117.611 0.706 . . . . 2.22 111.077 177.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 521' ' ' VAL . . . . . 0.902 HG13 HD21 ' A' ' 599' ' ' LEU . 87.4 t -118.58 120.08 63.12 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 CA-C-N 115.404 -0.816 . . . . 0.32 109.892 165.254 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 522' ' ' VAL . . . . . 0.637 ' HB ' ' O ' ' A' ' 561' ' ' LEU . 25.6 t -121.11 120.85 63.35 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.963 0 N-CA-C 108.034 -1.099 . . . . 0.22 108.034 176.395 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 523' ' ' HIS . . . . . . . . . . . . . 59.1 t-80 -106.03 133.82 50.13 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 121.116 0.484 . . . . 0.44 110.446 -176.038 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 524' ' ' ILE . . . . . 0.426 HD11 HD22 ' A' ' 561' ' ' LEU . 31.3 mt -111.37 137.25 44.71 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.914 0 N-CA-C 108.489 -0.93 . . . . 0.19 108.489 176.638 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 525' ' ' CYS . . . . . 0.503 ' SG ' ' HB3' ' A' ' 589' ' ' LEU . 5.1 p -134.88 163.1 30.59 Favored 'General case' 0 C--N 1.314 -0.949 0 C-N-CA 120.475 -0.49 . . . . 1.17 111.664 -173.87 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 526' ' ' ASN . . . . . 0.462 ' HB2' ' O ' ' A' ' 525' ' ' CYS . 89.6 m-20 86.05 27.94 0.05 OUTLIER 'General case' 0 N--CA 1.469 0.487 0 O-C-N 124.917 1.385 . . . . 0.26 110.574 176.127 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 527' ' ' LEU . . . . . 0.455 ' O ' ' HB3' ' A' ' 557' ' ' ASN . 82.5 mt -84.11 124.3 74.43 Favored Pre-proline 0 C--N 1.325 -0.494 0 CA-C-N 115.549 -0.75 . . . . 0.25 109.066 177.663 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 528' ' ' PRO . . . . . 0.411 ' HD3' ' HA ' ' A' ' 527' ' ' LEU . 14.2 Cg_exo -68.55 136.18 35.64 Favored 'Trans proline' 0 N--CA 1.46 -0.47 0 C-N-CA 121.798 1.665 . . . . 0.38 112.023 -178.118 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 529' ' ' GLU . . . . . . . . . . . . . 47.6 tt0 -64.43 133.53 52.71 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.449 -0.796 . . . . 1.6 109.779 177.527 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 530' ' ' GLY . . . . . . . . . . . . . . . 86.77 5.26 81.6 Favored Glycine 0 N--CA 1.445 -0.703 0 C-N-CA 119.865 -1.159 . . . . 0.48 111.27 -173.88 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 531' ' ' SER . . . . . . . . . . . . . 50.1 m -148.03 11.57 0.94 Allowed 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.332 0.586 . . . . 1.08 110.189 -175.211 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 532' ' ' CYS . . . . . . . . . . . . . 63.1 m -89.85 88.25 7.27 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 109.109 -0.7 . . . . 0.25 109.109 177.515 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 533' ' ' THR . . . . . 0.477 ' O ' HG23 ' A' ' 537' ' ' VAL . 29.3 p -102.15 151.92 21.62 Favored 'General case' 0 C--N 1.322 -0.627 0 C-N-CA 119.908 -0.717 . . . . 0.35 109.225 -178.611 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 534' ' ' GLU . . . . . 0.545 ' N ' HD11 ' A' ' 552' ' ' LEU . 83.7 mt-10 -65.93 -34.35 77.93 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 108.984 -0.747 . . . . 1.64 108.984 176.681 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 535' ' ' ASN . . . . . . . . . . . . . 5.6 m-20 -62.83 -48.84 77.34 Favored 'General case' 0 C--O 1.214 -0.81 0 CA-C-N 114.703 -1.135 . . . . 1.82 111.523 -177.111 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 536' ' ' ASP . . . . . . . . . . . . . 51.4 m-20 -69.83 -44.86 69.08 Favored 'General case' 0 N--CA 1.473 0.676 0 CA-C-O 121.34 0.59 . . . . 0.61 111.266 -172.833 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 537' ' ' VAL . . . . . 0.477 HG23 ' O ' ' A' ' 533' ' ' THR . 36.3 t -60.33 -48.14 89.47 Favored 'Isoleucine or valine' 0 C--O 1.242 0.678 0 CA-C-N 114.989 -1.005 . . . . 0.15 110.028 -178.775 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 538' ' ' ILE . . . . . 0.661 HD11 ' CG ' ' A' ' 550' ' ' TYR . 65.0 mt -68.31 -33.46 60.63 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.789 0 CA-C-N 115.207 -0.906 . . . . 0.23 111.329 176.262 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 539' ' ' ASN . . . . . 0.452 ' HA ' HD11 ' A' ' 615' ' ' ILE . 8.8 m120 -58.48 -26.55 63.53 Favored 'General case' 0 CA--C 1.515 -0.401 0 N-CA-C 110.595 -0.15 . . . . 0.25 110.595 176.924 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 540' ' ' LEU . . . . . 0.503 HD11 HD12 ' A' ' 588' ' ' LEU . 83.4 mt -75.62 -42.55 51.43 Favored 'General case' 0 C--N 1.324 -0.529 0 C-N-CA 120.45 -0.5 . . . . 0.27 109.762 173.005 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 541' ' ' GLY . . . . . 0.513 ' HA2' ' SD ' ' A' ' 572' ' ' MET . . . -65.16 -52.5 40.51 Favored Glycine 0 CA--C 1.523 0.558 0 N-CA-C 115.483 0.953 . . . . 0.19 115.483 -178.779 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 542' ' ' LEU . . . . . 0.515 HD23 ' H ' ' A' ' 547' ' ' VAL . 45.5 mt -56.25 -47.25 99.24 Favored Pre-proline 0 C--N 1.321 -0.649 0 N-CA-C 114.931 1.456 . . . . 0.2 114.931 -168.444 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 543' ' ' PRO . . . . . 0.408 ' HG3' HD13 ' A' ' 615' ' ' ILE . 50.4 Cg_exo -59.85 -26.31 81.93 Favored 'Trans proline' 0 C--N 1.348 0.549 0 C-N-CA 122.096 1.864 . . . . 0.23 113.609 -177.114 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 544' ' ' PHE . . . . . 0.464 ' HB2' ' HE2' ' A' ' 572' ' ' MET . 96.6 m-85 -97.92 -15.09 20.3 Favored 'General case' 0 C--N 1.332 -0.192 0 O-C-N 122.207 -0.308 . . . . 0.33 111.321 177.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 545' ' ' GLY . . . . . 0.475 ' O ' ' HA ' ' A' ' 542' ' ' LEU . . . 176.21 151.57 8.93 Favored Glycine 0 N--CA 1.449 -0.446 0 C-N-CA 120.793 -0.718 . . . . 0.44 112.039 -178.751 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 546' ' ' LYS . . . . . . . . . . . . . 38.3 ttpt -66.24 128.89 37.9 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 120.962 0.41 . . . . 2.07 110.852 -177.138 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 547' ' ' VAL . . . . . 0.615 HG21 HG23 ' A' ' 538' ' ' ILE . 70.3 t -86.94 115.25 27.44 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 CA-C-N 115.73 -0.668 . . . . 0.2 110.359 178.352 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 548' ' ' THR . . . . . . . . . . . . . 24.2 p -94.73 -34.6 12.47 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 116.075 -0.511 . . . . 0.31 111.427 -179.619 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 549' ' ' ASN . . . . . 0.462 ' HB2' ' CB ' ' A' ' 562' ' ' GLU . 17.7 m120 -143.5 156.51 44.64 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.069 -0.514 . . . . 1.26 110.183 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 550' ' ' TYR . . . . . 0.661 ' CG ' HD11 ' A' ' 538' ' ' ILE . 7.1 p90 -160.79 152.78 19.97 Favored 'General case' 0 C--N 1.319 -0.729 0 N-CA-C 109.559 -0.534 . . . . 0.31 109.559 -178.927 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 551' ' ' ILE . . . . . 0.68 HG23 ' N3 ' ' B' ' 5' ' ' ' U' . 70.7 mt -143.77 124.99 10.3 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 N-CA-C 108.336 -0.987 . . . . 0.22 108.336 -176.684 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 552' ' ' LEU . . . . . 0.545 HD11 ' N ' ' A' ' 534' ' ' GLU . 22.2 mt -106.7 125.65 51.27 Favored 'General case' 0 C--N 1.313 -0.98 0 C-N-CA 119.76 -0.776 . . . . 0.43 110.179 179.439 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 553' ' ' MET . . . . . 0.427 ' SD ' ' HE2' ' A' ' 560' ' ' PHE . 34.0 mtp -107.96 79.68 1.3 Allowed 'General case' 0 C--N 1.316 -0.88 0 N-CA-C 108.185 -1.043 . . . . 1.03 108.185 179.917 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 554' ' ' LYS . . . . . 0.432 ' HG3' " O4'" ' B' ' 6' ' ' ' A' . 23.9 mmtp -54.45 -29.87 50.97 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 114.828 -1.078 . . . . 1.03 112.712 176.52 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 555' ' ' SER . . . . . . . . . . . . . 64.1 p -68.94 -41.97 77.36 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 120.665 0.269 . . . . 0.51 111.55 -173.679 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 556' ' ' THR . . . . . . . . . . . . . 42.5 p -103.42 6.8 37.91 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 112.048 0.388 . . . . 0.45 112.048 -176.66 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 557' ' ' ASN . . . . . 0.455 ' HB3' ' O ' ' A' ' 527' ' ' LEU . 2.5 m-20 59.01 39.31 23.63 Favored 'General case' 0 N--CA 1.467 0.408 0 CA-C-O 121.767 0.794 . . . . 1.28 110.021 -176.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 558' ' ' GLN . . . . . . . . . . . . . 63.9 mt-30 -132.48 167.91 19.12 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 114.985 -1.007 . . . . 0.84 109.304 -176.272 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 559' ' ' ALA . . . . . 0.41 ' HB1' HD23 ' A' ' 552' ' ' LEU . . . -158.84 165.18 34.82 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.154 0.502 . . . . 0.16 111.804 176.476 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 560' ' ' PHE . . . . . 0.56 ' HB2' ' HB ' ' A' ' 551' ' ' ILE . 91.8 m-85 -120.34 150.05 41.35 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.753 -0.658 . . . . 0.35 110.485 174.474 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 561' ' ' LEU . . . . . 0.637 ' O ' ' HB ' ' A' ' 522' ' ' VAL . 56.0 tp -137.42 118.78 14.68 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.752 -0.658 . . . . 0.2 110.055 -179.467 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 562' ' ' GLU . . . . . 0.462 ' CB ' ' HB2' ' A' ' 549' ' ' ASN . 0.0 OUTLIER -102.83 136.78 42.02 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.383 0.611 . . . . 2.09 110.276 177.801 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 563' ' ' MET . . . . . 0.579 ' SD ' ' HA ' ' A' ' 569' ' ' ALA . 33.1 mtt -121.07 164.76 16.31 Favored 'General case' 0 C--N 1.313 -0.984 0 CA-C-N 115.211 -0.904 . . . . 0.39 109.895 -170.408 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 564' ' ' ALA . . . . . . . . . . . . . . . -59.61 -44.31 93.46 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 117.947 0.34 . . . . 0.5 111.844 -175.565 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 565' ' ' TYR . . . . . . . . . . . . . 75.2 m-85 -142.59 162.63 34.96 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.004 0.431 . . . . 1.15 111.673 -178.73 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 566' ' ' THR . . . . . 0.415 ' HB ' ' O ' ' A' ' 516' ' ' LYS . 9.8 t -60.09 -27.61 67.14 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.446 -0.797 . . . . 0.57 111.407 179.898 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 567' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -60.49 -32.65 71.63 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-N 116.172 -0.467 . . . . 0.89 111.071 179.348 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 568' ' ' ALA . . . . . 0.671 ' O ' ' HG3' ' A' ' 572' ' ' MET . . . -73.56 -42.54 61.52 Favored 'General case' 0 N--CA 1.451 -0.383 0 CA-C-N 115.96 -0.564 . . . . 0.26 109.879 179.71 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 569' ' ' ALA . . . . . 0.579 ' HA ' ' SD ' ' A' ' 563' ' ' MET . . . -63.2 -45.18 92.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.959 -0.564 . . . . 0.24 111.182 -176.743 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 570' ' ' GLN . . . . . . . . . . . . . 17.2 pt20 -67.29 -36.21 81.06 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.268 -0.424 . . . . 1.24 110.424 -178.578 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 571' ' ' ALA . . . . . . . . . . . . . . . -65.03 -45.5 85.2 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.272 -0.422 . . . . 0.31 110.85 178.292 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 572' ' ' MET . . . . . 0.671 ' HG3' ' O ' ' A' ' 568' ' ' ALA . 28.4 mtt -69.39 -45.75 68.52 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.365 -0.379 . . . . 0.47 110.961 -178.018 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 573' ' ' VAL . . . . . 0.571 ' O ' ' HG3' ' A' ' 577' ' ' GLN . 75.1 t -59.49 -46.46 92.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 N-CA-C 110.488 -0.19 . . . . 0.34 110.488 -178.404 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 574' ' ' GLN . . . . . . . . . . . . . 16.3 mm100 -62.02 -38.88 90.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.772 0.32 . . . . 2.09 110.89 177.809 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 575' ' ' TYR . . . . . . . . . . . . . 78.1 t80 -68.73 -52.32 31.91 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.026 -0.534 . . . . 0.48 110.75 -176.799 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 576' ' ' TYR . . . . . 0.533 ' CD2' HD12 ' A' ' 590' ' ' ILE . 83.6 m-85 -74.75 -13.13 60.56 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 112.91 0.708 . . . . 0.36 112.91 -176.27 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 577' ' ' GLN . . . . . 0.571 ' HG3' ' O ' ' A' ' 573' ' ' VAL . 43.0 mt-30 -71.7 -42.3 67.57 Favored 'General case' 0 C--N 1.325 -0.47 0 C-N-CA 120.227 -0.589 . . . . 1.89 109.596 171.132 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 578' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -86.12 -37.97 18.23 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.148 -0.478 . . . . 2.14 111.204 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 579' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -130.11 84.97 58.64 Favored Pre-proline 0 C--N 1.327 -0.412 0 CA-C-N 116.486 -0.324 . . . . 2.46 110.174 177.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 580' ' ' PRO . . . . . . . . . . . . . 39.5 Cg_endo -66.32 160.6 44.53 Favored 'Trans proline' 0 C--O 1.231 0.133 0 C-N-CA 122.843 2.362 . . . . 0.37 112.307 -178.647 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 581' ' ' ALA . . . . . 0.4 ' O ' ' HG ' ' A' ' 588' ' ' LEU . . . -91.35 135.21 33.98 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 109.761 -0.459 . . . . 0.27 109.761 179.923 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 582' ' ' ILE . . . . . . . . . . . . . 23.7 mt -100.34 119.65 48.72 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.939 0 CA-C-N 116.529 -0.305 . . . . 0.51 111.094 -174.668 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 583' ' ' ILE . . . . . 0.445 HG13 HD11 ' A' ' 588' ' ' LEU . 31.4 mm -126.53 113.19 32.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 N-CA-C 109.235 -0.654 . . . . 0.51 109.235 173.78 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 584' ' ' ASN . . . . . . . . . . . . . 94.4 m-20 59.27 33.01 22.39 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-O 121.242 0.544 . . . . 1.1 110.296 -177.295 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 585' ' ' GLY . . . . . . . . . . . . . . . 81.37 5.57 89.9 Favored Glycine 0 N--CA 1.445 -0.702 0 CA-C-N 115.556 -0.747 . . . . 0.44 112.98 179.341 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 586' ' ' GLU . . . . . . . . . . . . . 9.1 mm-40 -101.1 125.84 47.75 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.773 0.287 . . . . 1.79 110.531 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 587' ' ' LYS . . . . . . . . . . . . . 33.6 mmtp -76.34 115.87 16.49 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.854 -0.612 . . . . 1.67 110.957 177.657 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 588' ' ' LEU . . . . . 0.503 HD12 HD11 ' A' ' 540' ' ' LEU . 50.2 mt -80.6 135.83 36.13 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.167 -0.469 . . . . 0.24 110.719 179.106 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 589' ' ' LEU . . . . . 0.503 ' HB3' ' SG ' ' A' ' 525' ' ' CYS . 53.0 tp -113.6 118.6 34.86 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.764 -0.653 . . . . 0.38 110.494 -179.646 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 590' ' ' ILE . . . . . 0.533 HD12 ' CD2' ' A' ' 576' ' ' TYR . 18.6 mt -100.19 128.59 52.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 N-CA-C 109.778 -0.453 . . . . 0.26 109.778 175.879 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 591' ' ' ARG . . . . . . . . . . . . . 18.2 mmm180 -142.97 153.0 42.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.507 -0.315 . . . . 2.62 110.826 -173.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 592' ' ' MET . . . . . . . . . . . . . 58.8 mtt -83.14 132.05 35.11 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 109.855 -0.424 . . . . 0.34 109.855 175.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 593' ' ' SER . . . . . 0.633 ' HB3' ' O2 ' ' B' ' 3' ' ' ' C' . 49.9 m -77.69 137.11 38.33 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 121.538 0.685 . . . . 1.37 112.4 -176.099 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 594' ' ' THR . . . . . . . . . . . . . 21.1 p -91.82 -14.58 29.55 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 114.495 -1.229 . . . . 0.38 111.832 179.78 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 595' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -101.38 -27.88 12.9 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 112.265 0.469 . . . . 2.75 112.265 -169.371 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 596' ' ' TYR . . . . . 0.434 ' CB ' HG21 ' A' ' 521' ' ' VAL . 77.0 m-85 -120.44 155.4 33.58 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 121.23 0.538 . . . . 0.65 111.665 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 597' ' ' LYS . . . . . . . . . . . . . 15.4 mtmt -108.09 -28.45 9.52 Favored 'General case' 0 C--O 1.22 -0.492 0 CA-C-N 114.988 -1.005 . . . . 2.18 110.904 -178.46 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 598' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -142.39 149.29 39.16 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 120.986 0.422 . . . . 0.95 110.77 -176.084 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 599' ' ' LEU . . . . . 0.902 HD21 HG13 ' A' ' 521' ' ' VAL . 48.8 mt -100.74 126.63 47.31 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.715 -0.675 . . . . 0.45 110.917 177.551 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 600' ' ' GLN . . . . . . . . . . . . . 13.8 pt20 -113.52 138.36 50.24 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.927 -0.579 . . . . 1.52 109.76 177.063 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 601' ' ' LEU . . . . . . . . . . . . . 65.6 mt -86.28 89.31 7.82 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 120.709 0.29 . . . . 0.46 111.201 -177.729 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 602' ' ' LYS . . . . . . . . . . . . . 14.5 mmmm -66.52 -27.23 67.6 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.599 0.714 . . . . 1.73 109.178 171.223 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 603' ' ' LYS . . . . . . . . . . . . . 34.6 mmtp -116.41 135.21 22.83 Favored Pre-proline 0 C--N 1.324 -0.515 0 CA-C-N 115.06 -0.973 . . . . 1.69 108.867 173.908 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 604' ' ' PRO . . . . . . . . . . . . . 27.7 Cg_endo -61.91 165.1 14.86 Favored 'Trans proline' 0 C--O 1.234 0.315 0 C-N-CA 122.913 2.409 . . . . 1.21 112.815 -176.257 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 605' ' ' GLY . . . . . . . . . . . . . . . -127.57 133.46 7.89 Favored Glycine 0 N--CA 1.438 -1.189 0 CA-C-N 115.648 -0.705 . . . . 1.23 111.709 -177.716 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 606' ' ' LYS . . . . . . . . . . . . . 5.6 ptpp? -73.75 167.06 22.16 Favored 'General case' 0 C--N 1.317 -0.809 0 N-CA-C 109.561 -0.533 . . . . 3.47 109.561 176.91 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 607' ' ' ASN . . . . . . . . . . . . . 26.3 t-20 -57.19 121.08 9.24 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.128 0.49 . . . . 1.33 110.895 177.534 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 608' ' ' VAL . . . . . 0.562 HG11 ' HB ' ' A' ' 547' ' ' VAL . 68.8 t -87.11 -16.74 9.12 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-N 115.719 -0.673 . . . . 0.3 111.084 -175.27 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 609' ' ' ALA . . . . . . . . . . . . . . . -64.17 -34.64 78.53 Favored 'General case' 0 C--O 1.236 0.372 0 CA-C-O 121.264 0.554 . . . . 0.44 110.856 176.382 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 610' ' ' ALA . . . . . . . . . . . . . . . -63.92 -28.56 69.91 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.993 -0.549 . . . . 0.4 110.109 176.254 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 611' ' ' ILE . . . . . 0.415 ' HA ' ' OD1' ' A' ' 614' ' ' ASP . 77.0 mt -70.85 -30.89 43.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 115.766 -0.652 . . . . 0.25 109.642 178.765 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 612' ' ' ILE . . . . . 0.426 ' CG1' HD13 ' A' ' 542' ' ' LEU . 67.1 mt -60.28 -41.89 88.63 Favored 'Isoleucine or valine' 0 C--O 1.235 0.29 0 CA-C-O 121.301 0.572 . . . . 0.31 109.706 172.358 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 613' ' ' GLN . . . . . . . . . . . . . 30.6 mm-40 -64.38 -30.36 71.4 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.517 -0.765 . . . . 2.31 110.428 177.286 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 614' ' ' ASP . . . . . 0.415 ' OD1' ' HA ' ' A' ' 611' ' ' ILE . 37.3 m-20 -66.53 -42.98 86.39 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.808 -0.633 . . . . 1.95 110.359 177.608 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 615' ' ' ILE . . . . . 0.485 ' CD1' ' HB2' ' A' ' 542' ' ' LEU . 84.5 mt -63.39 -46.57 95.02 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.186 0 CA-C-O 121.233 0.54 . . . . 0.35 110.736 179.051 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 616' ' ' HIS . . . . . . . . . . . . . 48.5 m170 -63.23 -35.28 79.8 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.355 -0.839 . . . . 1.26 110.845 -178.491 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 617' ' ' SER . . . . . . . . . . . . . 38.7 m -75.07 -30.6 61.02 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.406 -0.361 . . . . 1.18 111.038 177.69 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 618' ' ' GLN . . . . . . . . . . . . . 76.4 mt-30 69.63 170.24 0.3 Allowed 'General case' 0 N--CA 1.467 0.387 0 CA-C-N 115.542 -0.754 . . . . 4.68 111.492 -178.278 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 619' ' ' ARG . . . . . . . . . . . . . 68.1 mtp180 -130.01 126.82 38.66 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.704 -0.68 . . . . 7.77 109.535 176.309 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 620' ' ' GLU . . . . . . . . . . . . . 20.2 mm-40 -80.09 66.81 5.71 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.491 -0.322 . . . . 7.92 110.587 -177.908 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 621' ' ' ARG . . . . . . . . . . . . . 78.8 mtp180 . . . . . 0 C--O 1.25 1.091 0 CA-C-O 118.295 -0.86 . . . . 11.0 110.655 -177.672 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 1' ' ' ADN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 2' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.958 0 C3'-C2'-C1' 99.447 -2.281 . 0.0 '__' . 2.99 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 3' ' ' ' C' . . . . . 0.475 ' O2 ' ' HB3' ' A' ' 593' ' ' SER . . . . . . . . 0 O5'--C5' 1.428 -0.749 0 C4'-C3'-C2' 103.924 1.224 . 0.0 OUTLIER . 1.58 . . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 4' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.424 -1.009 0 C3'-C2'-C1' 99.675 -2.027 . 0.549 0b . 1.15 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 5' ' ' ' U' . . . . . 0.609 ' C2 ' HG23 ' A' ' 551' ' ' ILE . . . . . . . . 0 O5'--C5' 1.424 -0.976 0 C4'-C3'-C2' 104.09 1.39 . 0.102 0b . 1.33 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 6' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.869 0 C3'-C2'-C1' 100.814 -0.762 . 0.0 OUTLIER gamma 4.23 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 510' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.86 0 N-CA-C 112.021 -0.431 . . . . 8.88 112.021 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 511' ' ' ALA . . . . . . . . . . . . . . . 71.53 -51.59 0.69 Allowed 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 123.609 0.764 . . . . 6.64 112.779 176.419 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 512' ' ' MET . . . . . . . . . . . . . 51.3 ttm -58.51 -66.19 0.53 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.575 0.226 . . . . 6.33 111.411 -175.56 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 513' ' ' ALA . . . . . . . . . . . . . . . -124.1 16.2 9.19 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.191 0.519 . . . . 4.2 110.507 -179.905 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 514' ' ' GLN . . . . . . . . . . . . . 14.0 mm100 -123.24 119.94 31.65 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.708 -0.678 . . . . 2.88 111.233 -178.724 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 515' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -98.48 106.07 18.3 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.533 -0.758 . . . . 4.0 109.423 175.136 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 516' ' ' LYS . . . . . . . . . . . . . 44.0 mmtm -139.75 51.04 1.74 Allowed 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.981 -0.554 . . . . 1.89 110.578 -176.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 517' ' ' GLY . . . . . . . . . . . . . . . -113.12 -57.54 0.42 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.926 -0.654 . . . . 2.04 112.185 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 518' ' ' ALA . . . . . . . . . . . . . . . -89.61 -14.86 34.06 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.557 0.694 . . . . 1.75 110.689 179.39 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 519' ' ' GLY . . . . . . . . . . . . . . . -149.69 127.33 2.42 Favored Glycine 0 C--N 1.313 -0.706 0 CA-C-N 114.774 -1.103 . . . . 0.67 110.587 177.785 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 520' ' ' ARG . . . . . . . . . . . . . 16.5 mtm-85 -125.97 133.44 51.81 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 121.47 0.652 . . . . 2.22 111.9 -177.202 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 521' ' ' VAL . . . . . 0.9 HG13 HD21 ' A' ' 599' ' ' LEU . 97.6 t -117.53 120.71 65.64 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.71 0 CA-C-N 114.888 -1.051 . . . . 0.32 109.778 170.134 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 522' ' ' VAL . . . . . 0.452 ' HB ' ' O ' ' A' ' 561' ' ' LEU . 24.5 t -120.86 122.31 67.47 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.933 0 N-CA-C 108.414 -0.958 . . . . 0.22 108.414 179.268 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 523' ' ' HIS . . . . . 0.414 ' HB2' ' OG ' ' A' ' 593' ' ' SER . 56.1 t-80 -105.31 131.21 53.04 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 121.183 0.516 . . . . 0.44 110.532 -175.497 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 524' ' ' ILE . . . . . 0.478 HG23 HG12 ' A' ' 590' ' ' ILE . 31.3 mt -111.4 138.85 38.17 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.908 0 CA-C-N 115.138 -0.937 . . . . 0.19 108.509 178.519 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 525' ' ' CYS . . . . . 0.501 ' SG ' ' HB3' ' A' ' 589' ' ' LEU . 1.6 p -140.73 164.78 29.28 Favored 'General case' 0 C--N 1.313 -1.013 0 C-N-CA 120.458 -0.497 . . . . 1.17 111.608 -175.923 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 526' ' ' ASN . . . . . 0.415 ' HB2' ' O ' ' A' ' 525' ' ' CYS . 77.8 m-20 86.46 27.24 0.05 OUTLIER 'General case' 0 N--CA 1.469 0.516 0 O-C-N 125.0 1.437 . . . . 0.26 110.11 176.791 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 527' ' ' LEU . . . . . 0.44 ' HB3' ' SG ' ' A' ' 532' ' ' CYS . 80.6 mt -87.21 123.83 69.34 Favored Pre-proline 0 C--N 1.324 -0.509 0 CA-C-N 115.258 -0.883 . . . . 0.25 108.794 178.373 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 528' ' ' PRO . . . . . 0.403 ' HD3' ' HA ' ' A' ' 527' ' ' LEU . 9.4 Cg_exo -72.04 135.35 25.08 Favored 'Trans proline' 0 N--CA 1.461 -0.393 0 C-N-CA 121.756 1.638 . . . . 0.38 111.751 179.766 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 529' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -64.94 138.61 58.47 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 109.242 -0.651 . . . . 1.6 109.242 176.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 530' ' ' GLY . . . . . . . . . . . . . . . 87.81 5.01 78.45 Favored Glycine 0 N--CA 1.446 -0.689 0 C-N-CA 119.944 -1.122 . . . . 0.48 110.926 -172.336 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 531' ' ' SER . . . . . . . . . . . . . 56.8 m -153.5 7.68 0.37 Allowed 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.03 0.443 . . . . 1.08 110.51 -176.557 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 532' ' ' CYS . . . . . 0.519 ' HB2' ' HD2' ' A' ' 554' ' ' LYS . 60.6 m -88.61 78.64 7.73 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 108.17 -1.048 . . . . 0.25 108.17 175.316 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 533' ' ' THR . . . . . 0.466 ' O ' HG23 ' A' ' 537' ' ' VAL . 29.1 p -95.7 153.03 17.94 Favored 'General case' 0 C--N 1.315 -0.905 0 C-N-CA 119.611 -0.836 . . . . 0.35 109.258 -176.062 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 534' ' ' GLU . . . . . 0.527 ' HA ' HD11 ' A' ' 552' ' ' LEU . 2.2 mp0 -63.93 -33.96 76.9 Favored 'General case' 0 C--N 1.318 -0.771 0 N-CA-C 108.789 -0.819 . . . . 1.64 108.789 176.489 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 535' ' ' ASN . . . . . . . . . . . . . 66.4 t30 -64.47 -50.02 69.1 Favored 'General case' 0 C--O 1.213 -0.868 0 CA-C-N 114.982 -1.008 . . . . 1.82 111.009 -176.362 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 536' ' ' ASP . . . . . . . . . . . . . 46.9 m-20 -69.96 -44.82 68.7 Favored 'General case' 0 N--CA 1.472 0.643 0 CA-C-O 121.345 0.593 . . . . 0.61 111.396 -171.677 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 537' ' ' VAL . . . . . 0.466 HG23 ' O ' ' A' ' 533' ' ' THR . 39.2 t -59.85 -48.12 88.89 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 CA-C-N 115.052 -0.976 . . . . 0.15 109.738 -178.902 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 538' ' ' ILE . . . . . 0.642 HD11 ' CG ' ' A' ' 550' ' ' TYR . 62.1 mt -68.93 -33.42 59.02 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.721 0 CA-C-N 115.21 -0.905 . . . . 0.23 111.84 176.664 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 539' ' ' ASN . . . . . 0.409 ' HA ' HD11 ' A' ' 615' ' ' ILE . 11.5 m120 -57.95 -27.67 63.62 Favored 'General case' 0 CA--C 1.51 -0.56 0 O-C-N 122.115 -0.365 . . . . 0.25 110.097 176.895 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 540' ' ' LEU . . . . . 0.475 HD11 HD12 ' A' ' 588' ' ' LEU . 81.8 mt -75.74 -41.93 51.91 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 109.916 -0.402 . . . . 0.27 109.916 174.545 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 541' ' ' GLY . . . . . 0.484 ' HA3' HD21 ' A' ' 561' ' ' LEU . . . -67.04 -52.71 30.81 Favored Glycine 0 CA--C 1.521 0.464 0 N-CA-C 115.537 0.975 . . . . 0.19 115.537 -178.929 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 542' ' ' LEU . . . . . 0.487 HD13 HG12 ' A' ' 612' ' ' ILE . 39.7 mt -56.17 -48.41 96.92 Favored Pre-proline 0 C--N 1.321 -0.647 0 N-CA-C 114.641 1.349 . . . . 0.2 114.641 -168.457 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 543' ' ' PRO . . . . . . . . . . . . . 48.6 Cg_exo -60.63 -24.5 78.63 Favored 'Trans proline' 0 C--N 1.347 0.455 0 C-N-CA 121.986 1.791 . . . . 0.23 113.565 -177.262 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 544' ' ' PHE . . . . . 0.443 ' HB2' ' HE2' ' A' ' 572' ' ' MET . 81.9 m-85 -99.17 -15.67 18.85 Favored 'General case' 0 C--O 1.235 0.325 0 O-C-N 121.851 -0.531 . . . . 0.33 111.25 177.335 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 545' ' ' GLY . . . . . 0.455 ' O ' ' HA ' ' A' ' 542' ' ' LEU . . . 178.74 152.54 10.52 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.691 -0.766 . . . . 0.44 112.651 -178.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 546' ' ' LYS . . . . . . . . . . . . . 62.4 tttp -65.44 124.01 21.15 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.09 0.471 . . . . 2.07 111.227 -178.343 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 547' ' ' VAL . . . . . 0.598 HG21 HG23 ' A' ' 538' ' ' ILE . 78.3 t -85.31 115.14 26.49 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.441 0 CA-C-N 115.507 -0.77 . . . . 0.2 110.39 177.335 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 548' ' ' THR . . . . . . . . . . . . . 22.4 p -93.78 -35.96 12.51 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 116.301 -0.409 . . . . 0.31 111.463 178.048 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 549' ' ' ASN . . . . . . . . . . . . . 92.4 m-20 -143.68 161.87 37.44 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.041 0.448 . . . . 1.26 110.685 178.81 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 550' ' ' TYR . . . . . 0.642 ' CG ' HD11 ' A' ' 538' ' ' ILE . 3.8 p90 -161.5 152.21 17.93 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.723 -0.671 . . . . 0.31 109.276 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 551' ' ' ILE . . . . . 0.609 HG23 ' C2 ' ' B' ' 5' ' ' ' U' . 49.5 mt -140.99 123.16 14.88 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 N-CA-C 108.372 -0.973 . . . . 0.22 108.372 -176.505 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 552' ' ' LEU . . . . . 0.527 HD11 ' HA ' ' A' ' 534' ' ' GLU . 20.6 mt -108.2 120.68 43.05 Favored 'General case' 0 C--N 1.316 -0.854 0 C-N-CA 120.082 -0.647 . . . . 0.43 111.063 -176.685 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 553' ' ' MET . . . . . 0.58 ' HA ' " H4'" ' B' ' 5' ' ' ' U' . 72.2 mtm -110.12 82.61 1.62 Allowed 'General case' 0 C--N 1.321 -0.662 0 C-N-CA 119.893 -0.723 . . . . 1.03 109.218 178.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 554' ' ' LYS . . . . . 0.519 ' HD2' ' HB2' ' A' ' 532' ' ' CYS . 23.0 mmtp -53.44 -28.8 32.11 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 114.839 -1.073 . . . . 1.03 112.136 174.099 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 555' ' ' SER . . . . . . . . . . . . . 60.7 p -70.41 -39.81 74.23 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 111.99 0.367 . . . . 0.51 111.99 -174.136 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 556' ' ' THR . . . . . . . . . . . . . 41.0 p -102.41 2.78 37.05 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 112.667 0.617 . . . . 0.45 112.667 -177.682 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 557' ' ' ASN . . . . . . . . . . . . . 4.2 m-20 59.21 39.1 23.16 Favored 'General case' 0 C--O 1.237 0.406 0 CA-C-O 121.708 0.766 . . . . 1.28 110.31 -175.573 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 558' ' ' GLN . . . . . 0.461 ' HB2' ' HE3' ' A' ' 553' ' ' MET . 70.4 mt-30 -140.34 165.1 28.31 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.231 -0.895 . . . . 0.84 109.648 -177.03 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 559' ' ' ALA . . . . . 0.414 ' HB1' HD23 ' A' ' 552' ' ' LEU . . . -157.68 165.98 34.02 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.104 0.478 . . . . 0.16 111.858 -177.603 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 560' ' ' PHE . . . . . 0.525 ' HB2' ' HB ' ' A' ' 551' ' ' ILE . 95.0 m-85 -119.31 149.84 41.13 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.97 -0.559 . . . . 0.35 110.721 176.606 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 561' ' ' LEU . . . . . 0.484 HD21 ' HA3' ' A' ' 541' ' ' GLY . 51.4 tp -136.65 119.5 16.28 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.891 -0.595 . . . . 0.2 110.198 -179.865 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 562' ' ' GLU . . . . . 0.543 ' HB2' HD12 ' A' ' 599' ' ' LEU . 33.3 tt0 -100.33 126.78 46.72 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.206 0.527 . . . . 2.09 110.527 178.8 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 563' ' ' MET . . . . . 0.625 ' SD ' ' HA ' ' A' ' 569' ' ' ALA . 33.2 mtt -115.45 150.1 37.0 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.34 -0.845 . . . . 0.39 109.416 -175.503 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 564' ' ' ALA . . . . . . . . . . . . . . . -76.24 -16.07 59.89 Favored 'General case' 0 C--N 1.328 -0.339 0 O-C-N 123.368 0.418 . . . . 0.5 111.977 -171.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 565' ' ' TYR . . . . . 0.503 ' HB3' ' HG2' ' A' ' 567' ' ' GLU . 79.7 m-85 -142.68 144.54 32.78 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.191 -0.459 . . . . 1.15 110.139 -179.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 566' ' ' THR . . . . . 0.409 ' O ' ' HG2' ' A' ' 570' ' ' GLN . 4.5 t -68.41 -26.6 65.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.737 -0.665 . . . . 0.57 110.059 -178.247 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 567' ' ' GLU . . . . . 0.52 ' HA ' HE21 ' A' ' 570' ' ' GLN . 8.9 pt-20 -57.22 -32.58 66.67 Favored 'General case' 0 C--N 1.334 -0.09 0 CA-C-N 115.663 -0.698 . . . . 0.89 110.428 175.336 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 568' ' ' ALA . . . . . 0.675 ' O ' ' HG3' ' A' ' 572' ' ' MET . . . -72.96 -43.62 62.06 Favored 'General case' 0 N--CA 1.448 -0.559 0 CA-C-N 116.034 -0.53 . . . . 0.26 110.044 -177.932 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 569' ' ' ALA . . . . . 0.625 ' HA ' ' SD ' ' A' ' 563' ' ' MET . . . -63.35 -46.88 84.51 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.783 -0.644 . . . . 0.24 111.357 -175.625 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 570' ' ' GLN . . . . . 0.52 HE21 ' HA ' ' A' ' 567' ' ' GLU . 23.5 pt20 -70.06 -36.18 74.78 Favored 'General case' 0 C--N 1.325 -0.485 0 C-N-CA 120.712 -0.395 . . . . 1.24 110.77 -179.266 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 571' ' ' ALA . . . . . . . . . . . . . . . -62.64 -43.95 97.5 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.541 0.21 . . . . 0.31 110.955 178.904 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 572' ' ' MET . . . . . 0.675 ' HG3' ' O ' ' A' ' 568' ' ' ALA . 30.6 mtt -65.47 -44.39 87.28 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 110.137 -0.32 . . . . 0.47 110.137 179.249 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 573' ' ' VAL . . . . . 0.583 HG23 ' O ' ' A' ' 569' ' ' ALA . 97.8 t -59.05 -47.02 91.36 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.494 -0.321 . . . . 0.34 110.14 177.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 574' ' ' GLN . . . . . 0.467 ' HG2' ' O ' ' A' ' 570' ' ' GLN . 31.0 mm-40 -61.49 -40.37 94.33 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.465 -0.334 . . . . 2.09 110.965 179.85 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 575' ' ' TYR . . . . . . . . . . . . . 84.3 t80 -68.65 -52.6 29.46 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.131 -0.486 . . . . 0.48 111.0 -179.017 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 576' ' ' TYR . . . . . 0.529 ' CE2' HD12 ' A' ' 590' ' ' ILE . 61.1 m-85 -72.71 -13.35 61.32 Favored 'General case' 0 N--CA 1.464 0.246 0 N-CA-C 112.804 0.668 . . . . 0.36 112.804 -176.518 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 577' ' ' GLN . . . . . 0.566 ' HG3' ' O ' ' A' ' 573' ' ' VAL . 93.8 mt-30 -68.77 -41.35 78.93 Favored 'General case' 0 C--N 1.326 -0.416 0 C-N-CA 120.341 -0.543 . . . . 1.89 109.658 169.671 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 578' ' ' GLU . . . . . . . . . . . . . 30.4 mm-40 -86.36 -38.95 16.92 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.824 -0.625 . . . . 2.14 111.123 179.876 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 579' ' ' LYS . . . . . 0.489 ' O ' ' HA ' ' A' ' 576' ' ' TYR . 26.7 mtpp -135.53 90.47 20.07 Favored Pre-proline 0 C--N 1.323 -0.568 0 CA-C-N 116.432 -0.349 . . . . 2.46 110.233 176.167 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 580' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_endo -64.78 160.74 39.23 Favored 'Trans proline' 0 N--CA 1.462 -0.35 0 C-N-CA 122.276 1.984 . . . . 0.37 111.608 177.884 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 581' ' ' ALA . . . . . 0.502 ' O ' ' HG ' ' A' ' 588' ' ' LEU . . . -91.06 130.26 36.98 Favored 'General case' 0 C--N 1.323 -0.587 0 N-CA-C 109.318 -0.623 . . . . 0.27 109.318 178.887 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 582' ' ' ILE . . . . . . . . . . . . . 48.8 mt -102.91 121.76 54.47 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.759 0 CA-C-O 120.736 0.303 . . . . 0.51 111.374 -172.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 583' ' ' ILE . . . . . . . . . . . . . 30.8 mm -127.96 113.7 31.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 N-CA-C 109.654 -0.499 . . . . 0.51 109.654 176.126 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 584' ' ' ASN . . . . . . . . . . . . . 86.3 m-20 58.14 33.77 23.5 Favored 'General case' 0 N--CA 1.467 0.415 0 CA-C-O 121.132 0.491 . . . . 1.1 110.578 -178.776 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 585' ' ' GLY . . . . . . . . . . . . . . . 84.02 3.83 88.85 Favored Glycine 0 N--CA 1.444 -0.791 0 CA-C-N 115.561 -0.745 . . . . 0.44 113.666 176.854 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 586' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -106.85 126.22 52.03 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 117.344 0.572 . . . . 1.79 110.473 177.801 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 587' ' ' LYS . . . . . . . . . . . . . 59.6 mttp -75.92 121.98 23.47 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.608 -0.724 . . . . 1.67 111.13 177.774 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 588' ' ' LEU . . . . . 0.502 ' HG ' ' O ' ' A' ' 581' ' ' ALA . 49.4 mt -80.74 137.26 36.26 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 116.028 -0.533 . . . . 0.24 110.821 -179.181 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 589' ' ' LEU . . . . . 0.501 ' HB3' ' SG ' ' A' ' 525' ' ' CYS . 56.0 tp -112.3 112.14 23.51 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.7 -0.682 . . . . 0.38 110.399 -179.251 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 590' ' ' ILE . . . . . 0.529 HD12 ' CE2' ' A' ' 576' ' ' TYR . 18.6 mt -104.91 118.91 53.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 116.254 -0.43 . . . . 0.26 110.104 177.08 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 591' ' ' ARG . . . . . . . . . . . . . 38.9 mtm180 -146.22 165.78 28.17 Favored 'General case' 0 N--CA 1.463 0.203 0 CA-C-O 120.67 0.271 . . . . 2.62 110.571 179.553 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 592' ' ' MET . . . . . . . . . . . . . 64.9 mtt -81.71 129.02 34.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.257 -0.429 . . . . 0.34 110.194 -176.126 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 593' ' ' SER . . . . . 0.475 ' HB3' ' O2 ' ' B' ' 3' ' ' ' C' . 28.0 m -69.21 136.42 52.01 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.35 0.595 . . . . 1.37 111.576 -177.182 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 594' ' ' THR . . . . . . . . . . . . . 22.9 p -90.53 -10.17 44.52 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 114.944 -1.025 . . . . 0.38 111.746 -177.278 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 595' ' ' ARG . . . . . 0.455 ' HD2' " O2'" ' B' ' 3' ' ' ' C' . 97.8 mtt180 -102.61 -28.62 12.04 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 112.561 0.578 . . . . 2.75 112.561 -172.14 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 596' ' ' TYR . . . . . . . . . . . . . 81.1 m-85 -125.68 146.1 49.88 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.198 0.523 . . . . 0.65 112.267 -173.637 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 597' ' ' LYS . . . . . . . . . . . . . 49.1 mtmt -109.6 -7.77 15.07 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.454 -0.793 . . . . 2.18 111.857 177.56 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 598' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -142.82 148.92 37.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.107 0.479 . . . . 0.95 110.943 177.33 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 599' ' ' LEU . . . . . 0.9 HD21 HG13 ' A' ' 521' ' ' VAL . 37.3 mt -107.14 122.22 46.06 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.396 -0.82 . . . . 0.45 111.06 174.832 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 600' ' ' GLN . . . . . . . . . . . . . 49.5 tt0 -113.07 119.34 37.51 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.389 -0.823 . . . . 1.52 110.363 -177.751 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 601' ' ' LEU . . . . . . . . . . . . . 30.5 mt -79.32 78.08 5.83 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.986 0.422 . . . . 0.46 111.0 179.538 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 602' ' ' LYS . . . . . . . . . . . . . 56.7 mtmt -68.98 -20.24 64.17 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.812 -0.631 . . . . 1.73 109.901 176.351 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 603' ' ' LYS . . . . . 0.503 ' HB2' ' N3 ' ' B' ' 5' ' ' ' U' . 33.6 mmtp -118.55 130.95 24.48 Favored Pre-proline 0 C--N 1.324 -0.514 0 N-CA-C 108.768 -0.827 . . . . 1.69 108.768 171.535 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 604' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_endo -68.89 166.38 26.66 Favored 'Trans proline' 0 C--O 1.233 0.262 0 C-N-CA 122.956 2.438 . . . . 1.21 113.286 -173.212 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 605' ' ' GLY . . . . . . . . . . . . . . . -144.52 167.64 26.98 Favored Glycine 0 N--CA 1.437 -1.288 0 CA-C-N 115.473 -0.785 . . . . 1.23 111.49 179.855 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 606' ' ' LYS . . . . . . . . . . . . . 36.0 mtmm -82.04 166.61 19.63 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-O 120.626 0.251 . . . . 3.47 110.52 179.779 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 607' ' ' ASN . . . . . . . . . . . . . 28.5 t-20 -58.6 131.91 52.23 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.149 0.5 . . . . 1.33 111.779 178.237 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 608' ' ' VAL . . . . . 0.551 HG11 ' HB ' ' A' ' 547' ' ' VAL . 93.2 t -88.1 -24.79 6.08 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.429 0 CA-C-N 115.607 -0.724 . . . . 0.3 111.898 -175.465 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 609' ' ' ALA . . . . . . . . . . . . . . . -61.14 -36.63 80.28 Favored 'General case' 0 C--O 1.237 0.426 0 CA-C-O 121.384 0.611 . . . . 0.44 110.956 178.482 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 610' ' ' ALA . . . . . . . . . . . . . . . -61.82 -28.22 69.32 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.794 -0.639 . . . . 0.4 110.305 176.227 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 611' ' ' ILE . . . . . 0.438 ' CD1' HD12 ' A' ' 538' ' ' ILE . 72.6 mt -71.88 -32.2 43.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 115.575 -0.739 . . . . 0.25 110.015 178.929 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 612' ' ' ILE . . . . . 0.487 HG12 HD13 ' A' ' 542' ' ' LEU . 48.8 mt -60.5 -44.72 97.07 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.244 0 CA-C-O 121.248 0.547 . . . . 0.31 109.677 175.189 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 613' ' ' GLN . . . . . . . . . . . . . 12.5 mm100 -68.45 -29.46 68.11 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.71 -0.677 . . . . 2.31 110.19 177.614 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 614' ' ' ASP . . . . . 0.429 ' O ' ' HG3' ' A' ' 618' ' ' GLN . 7.8 t70 -65.65 -41.12 92.93 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.533 -0.758 . . . . 1.95 109.672 177.269 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 615' ' ' ILE . . . . . 0.45 ' CD1' ' HB2' ' A' ' 542' ' ' LEU . 88.5 mt -61.02 -43.71 96.7 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.168 0 CA-C-O 121.009 0.433 . . . . 0.35 110.3 174.768 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 616' ' ' HIS . . . . . . . . . . . . . 81.3 m-70 -63.37 -26.22 68.65 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.685 -0.688 . . . . 1.26 110.909 177.769 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 617' ' ' SER . . . . . . . . . . . . . 34.7 m -74.67 -26.6 59.96 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.256 -0.429 . . . . 1.18 110.86 174.626 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 618' ' ' GLN . . . . . 0.429 ' HG3' ' O ' ' A' ' 614' ' ' ASP . 72.1 mt-30 -90.09 95.36 10.17 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.328 -0.396 . . . . 4.68 110.931 -178.338 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 619' ' ' ARG . . . . . . . . . . . . . 92.0 mtt180 62.77 178.13 0.14 Allowed 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 115.559 -0.746 . . . . 7.77 111.644 -179.522 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 620' ' ' GLU . . . . . . . . . . . . . 48.9 mm-40 55.91 46.71 21.52 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-N 115.864 -0.607 . . . . 7.92 110.977 -179.839 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 621' ' ' ARG . . . . . . . . . . . . . 83.2 mtp180 . . . . . 0 C--O 1.249 1.058 0 CA-C-O 118.348 -0.834 . . . . 11.0 110.152 -178.827 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 1' ' ' ADN . . . . . 0.422 " H2'" ' C6 ' ' B' ' 2' ' ' ' U' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 2' ' ' ' U' . . . . . 0.422 ' C6 ' " H2'" ' B' ' 1' ' ' ADN . . . . . . . . 0 O5'--C5' 1.427 -0.8 0 C3'-C2'-C1' 99.043 -2.73 . 0.0 '__' . 2.99 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 3' ' ' ' C' . . . . . 0.617 ' O2 ' ' HB3' ' A' ' 593' ' ' SER . . . . . . . . 0 O5'--C5' 1.426 -0.896 0 C3'-C2'-C1' 100.663 -0.93 . 0.594 2[ . 1.58 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 4' ' ' ' U' . . . . . 0.472 " H4'" ' SD ' ' A' ' 553' ' ' MET . . . . . . . . 0 O5'--C5' 1.425 -0.919 0 C4'-C3'-C2' 104.058 1.358 . 0.0 OUTLIER . 1.15 . . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 5' ' ' ' U' . . . . . 0.625 ' N3 ' HG23 ' A' ' 551' ' ' ILE . . . . . . . . 0 O5'--C5' 1.425 -0.913 0 C4'-C3'-C2' 103.976 1.276 . 0.141 4b . 1.33 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 6' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.963 0 C3'-C2'-C1' 100.767 -0.815 . 0.0 OUTLIER . 4.23 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 510' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.585 0 N-CA-C 111.595 -0.602 . . . . 8.88 111.595 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 511' ' ' ALA . . . . . . . . . . . . . . . -129.81 18.85 5.62 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.135 0.493 . . . . 6.64 110.416 178.506 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 512' ' ' MET . . . . . . . . . . . . . 22.8 ptp -89.91 163.89 14.8 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.712 -0.676 . . . . 6.33 110.654 -179.057 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 513' ' ' ALA . . . . . . . . . . . . . . . 57.93 33.74 23.54 Favored 'General case' 0 C--O 1.235 0.318 0 O-C-N 123.726 0.641 . . . . 4.2 111.213 178.626 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 514' ' ' GLN . . . . . 0.427 ' O ' ' HG2' ' A' ' 516' ' ' LYS . 16.0 mm100 67.3 113.06 0.04 OUTLIER 'General case' 0 N--CA 1.463 0.179 0 CA-C-N 115.567 -0.742 . . . . 2.88 110.893 -176.575 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 515' ' ' ARG . . . . . . . . . . . . . 80.8 mtp180 -46.64 120.59 3.01 Favored 'General case' 0 N--CA 1.467 0.412 0 CA-C-N 115.685 -0.689 . . . . 4.0 112.347 -176.817 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 516' ' ' LYS . . . . . 0.688 ' HE2' ' SD ' ' A' ' 592' ' ' MET . 41.4 mmtm -139.11 21.85 2.61 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-N 116.128 -0.487 . . . . 1.89 110.357 175.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 517' ' ' GLY . . . . . . . . . . . . . . . -98.41 -100.35 2.16 Favored Glycine 0 N--CA 1.449 -0.49 0 C-N-CA 120.928 -0.653 . . . . 2.04 111.638 177.611 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 518' ' ' ALA . . . . . . . . . . . . . . . -84.01 55.57 3.35 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.346 0.593 . . . . 1.75 110.231 177.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 519' ' ' GLY . . . . . . . . . . . . . . . 155.49 97.35 0.14 Allowed Glycine 0 N--CA 1.443 -0.863 0 CA-C-N 115.333 -0.849 . . . . 0.67 111.181 -177.428 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 520' ' ' ARG . . . . . . . . . . . . . 15.8 mtm-85 -124.54 133.22 53.37 Favored 'General case' 0 C--N 1.323 -0.583 0 C-N-CA 120.791 -0.364 . . . . 2.22 110.262 178.537 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 521' ' ' VAL . . . . . 0.718 HG13 HD21 ' A' ' 599' ' ' LEU . 63.5 t -118.65 120.41 64.08 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 CA-C-N 116.087 -0.506 . . . . 0.32 110.418 168.743 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 522' ' ' VAL . . . . . 0.547 ' HB ' ' O ' ' A' ' 561' ' ' LEU . 26.1 t -120.27 122.11 67.44 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.867 0 N-CA-C 107.753 -1.203 . . . . 0.22 107.753 175.693 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 523' ' ' HIS . . . . . 0.413 ' HB2' ' OG ' ' A' ' 593' ' ' SER . 59.4 t-80 -105.44 133.56 49.99 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 121.096 0.474 . . . . 0.44 110.585 -173.21 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 524' ' ' ILE . . . . . 0.438 HG23 HG12 ' A' ' 590' ' ' ILE . 23.0 mt -110.9 137.33 43.81 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.907 0 N-CA-C 108.445 -0.946 . . . . 0.19 108.445 177.092 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 525' ' ' CYS . . . . . 0.437 ' O ' ' HB2' ' A' ' 526' ' ' ASN . 0.0 OUTLIER -132.47 158.39 42.17 Favored 'General case' 0 C--N 1.316 -0.881 0 C-N-CA 120.665 -0.414 . . . . 1.17 110.97 -172.761 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 526' ' ' ASN . . . . . 0.437 ' HB2' ' O ' ' A' ' 525' ' ' CYS . 84.8 m-20 84.94 29.29 0.06 Allowed 'General case' 0 N--CA 1.469 0.476 0 O-C-N 124.748 1.28 . . . . 0.26 110.913 172.555 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 527' ' ' LEU . . . . . 0.457 ' HB3' ' SG ' ' A' ' 532' ' ' CYS . 80.2 mt -85.03 123.3 73.75 Favored Pre-proline 0 C--N 1.323 -0.546 0 N-CA-C 109.111 -0.7 . . . . 0.25 109.111 177.643 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 528' ' ' PRO . . . . . 0.413 ' HD3' ' HA ' ' A' ' 527' ' ' LEU . 3.1 Cg_exo -75.04 134.68 18.03 Favored 'Trans proline' 0 N--CA 1.459 -0.519 0 C-N-CA 121.841 1.694 . . . . 0.38 111.824 179.05 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 529' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -65.3 139.59 58.61 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 109.499 -0.556 . . . . 1.6 109.499 175.455 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 530' ' ' GLY . . . . . . . . . . . . . . . 90.54 4.71 70.11 Favored Glycine 0 N--CA 1.444 -0.785 0 N-CA-C 110.592 -1.003 . . . . 0.48 110.592 -171.25 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 531' ' ' SER . . . . . . . . . . . . . 66.7 m -156.14 2.4 0.16 Allowed 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.142 0.496 . . . . 1.08 110.212 -174.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 532' ' ' CYS . . . . . 0.489 ' HB2' ' HD2' ' A' ' 554' ' ' LYS . 69.9 m -85.84 79.08 9.38 Favored 'General case' 0 CA--C 1.51 -0.559 0 N-CA-C 108.495 -0.928 . . . . 0.25 108.495 176.335 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 533' ' ' THR . . . . . 0.518 ' O ' HG23 ' A' ' 537' ' ' VAL . 33.6 p -96.4 151.15 19.82 Favored 'General case' 0 C--N 1.315 -0.897 0 C-N-CA 119.761 -0.776 . . . . 0.35 108.957 -178.819 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 534' ' ' GLU . . . . . 0.497 ' N ' HD11 ' A' ' 552' ' ' LEU . 42.7 mt-10 -65.8 -34.48 78.27 Favored 'General case' 0 C--N 1.316 -0.849 0 N-CA-C 108.831 -0.803 . . . . 1.64 108.831 176.226 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 535' ' ' ASN . . . . . . . . . . . . . 5.9 t-20 -64.84 -47.0 79.53 Favored 'General case' 0 C--O 1.216 -0.685 0 CA-C-N 114.626 -1.17 . . . . 1.82 111.159 -177.04 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 536' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -69.69 -44.21 70.91 Favored 'General case' 0 N--CA 1.477 0.921 0 CA-C-O 121.401 0.62 . . . . 0.61 111.408 -175.425 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 537' ' ' VAL . . . . . 0.518 HG23 ' O ' ' A' ' 533' ' ' THR . 46.5 t -59.74 -45.77 94.21 Favored 'Isoleucine or valine' 0 C--O 1.241 0.615 0 CA-C-N 115.037 -0.983 . . . . 0.15 109.779 179.777 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 538' ' ' ILE . . . . . 0.665 HG23 HG21 ' A' ' 547' ' ' VAL . 38.3 mt -68.05 -32.61 56.88 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.815 0 CA-C-N 115.124 -0.944 . . . . 0.23 111.385 174.609 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 539' ' ' ASN . . . . . 0.454 ' HA ' HD11 ' A' ' 615' ' ' ILE . 10.5 m120 -57.92 -27.45 63.36 Favored 'General case' 0 CA--C 1.514 -0.43 0 N-CA-C 110.231 -0.285 . . . . 0.25 110.231 176.291 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 540' ' ' LEU . . . . . 0.421 HD11 HD12 ' A' ' 588' ' ' LEU . 88.2 mt -75.58 -41.46 54.55 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 109.518 -0.549 . . . . 0.27 109.518 174.098 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 541' ' ' GLY . . . . . 0.502 ' CA ' HD21 ' A' ' 561' ' ' LEU . . . -66.52 -52.63 33.53 Favored Glycine 0 CA--C 1.525 0.718 0 N-CA-C 116.021 1.168 . . . . 0.19 116.021 -178.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 542' ' ' LEU . . . . . 0.546 ' HB2' ' CD1' ' A' ' 615' ' ' ILE . 51.3 mt -58.02 -45.42 99.77 Favored Pre-proline 0 C--N 1.321 -0.633 0 N-CA-C 114.981 1.474 . . . . 0.2 114.981 -168.131 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 543' ' ' PRO . . . . . 0.409 ' HG3' HG21 ' A' ' 615' ' ' ILE . 52.3 Cg_exo -59.7 -25.61 79.6 Favored 'Trans proline' 0 C--N 1.349 0.577 0 C-N-CA 122.053 1.835 . . . . 0.23 113.654 -177.221 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 544' ' ' PHE . . . . . 0.405 ' HB2' ' HE2' ' A' ' 572' ' ' MET . 92.8 m-85 -99.92 -15.65 18.27 Favored 'General case' 0 C--O 1.233 0.19 0 O-C-N 121.985 -0.447 . . . . 0.33 111.203 178.183 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 545' ' ' GLY . . . . . 0.506 ' O ' ' HA ' ' A' ' 542' ' ' LEU . . . 177.57 157.19 17.93 Favored Glycine 0 C--O 1.226 -0.395 0 C-N-CA 120.789 -0.72 . . . . 0.44 112.258 179.512 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 546' ' ' LYS . . . . . . . . . . . . . 66.5 tttm -66.11 126.84 29.91 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.926 0.393 . . . . 2.07 110.944 -179.299 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 547' ' ' VAL . . . . . 0.665 HG21 HG23 ' A' ' 538' ' ' ILE . 72.2 t -83.14 115.43 25.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-N 115.808 -0.633 . . . . 0.2 110.616 178.087 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 548' ' ' THR . . . . . . . . . . . . . 22.6 p -93.21 -35.51 13.09 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 116.095 -0.502 . . . . 0.31 111.606 178.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 549' ' ' ASN . . . . . 0.478 ' HB2' ' HB2' ' A' ' 562' ' ' GLU . 15.9 m120 -145.49 158.39 43.85 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.946 0.403 . . . . 1.26 110.782 -179.769 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 550' ' ' TYR . . . . . 0.574 ' CG ' HD11 ' A' ' 538' ' ' ILE . 5.3 p90 -161.59 150.3 15.74 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.803 -0.635 . . . . 0.31 109.8 -179.901 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 551' ' ' ILE . . . . . 0.625 HG23 ' N3 ' ' B' ' 5' ' ' ' U' . 66.9 mt -144.69 124.53 7.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 N-CA-C 108.551 -0.907 . . . . 0.22 108.551 -176.116 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 552' ' ' LEU . . . . . 0.497 HD11 ' N ' ' A' ' 534' ' ' GLU . 29.6 mt -106.97 121.16 43.9 Favored 'General case' 0 C--N 1.316 -0.872 0 C-N-CA 120.322 -0.551 . . . . 0.43 111.137 -177.862 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 553' ' ' MET . . . . . 0.486 ' HA ' " H4'" ' B' ' 5' ' ' ' U' . 67.2 mtm -109.11 82.32 1.58 Allowed 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 109.211 -0.663 . . . . 1.03 109.211 177.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 554' ' ' LYS . . . . . 0.489 ' HD2' ' HB2' ' A' ' 532' ' ' CYS . 23.9 mmtp -53.15 -29.4 31.08 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 114.677 -1.147 . . . . 1.03 112.873 175.726 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 555' ' ' SER . . . . . . . . . . . . . 65.1 p -67.72 -41.42 83.54 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.893 0.378 . . . . 0.51 111.274 -173.871 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 556' ' ' THR . . . . . 0.404 ' O ' ' HG3' ' A' ' 558' ' ' GLN . 44.0 p -99.3 1.44 44.55 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.325 -0.398 . . . . 0.45 111.821 -177.201 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 557' ' ' ASN . . . . . . . . . . . . . 13.1 m120 59.54 40.43 20.43 Favored 'General case' 0 N--CA 1.467 0.385 0 CA-C-O 121.694 0.759 . . . . 1.28 110.081 -175.462 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 558' ' ' GLN . . . . . 0.404 ' HG3' ' O ' ' A' ' 556' ' ' THR . 72.3 mt-30 -139.69 166.0 25.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.067 -0.969 . . . . 0.84 109.575 -176.069 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 559' ' ' ALA . . . . . . . . . . . . . . . -157.91 166.71 31.94 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.109 0.48 . . . . 0.16 112.173 -178.293 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 560' ' ' PHE . . . . . 0.452 ' HB2' ' HB ' ' A' ' 551' ' ' ILE . 97.7 m-85 -118.82 145.31 45.75 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.5 -0.773 . . . . 0.35 110.569 176.809 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 561' ' ' LEU . . . . . 0.547 ' O ' ' HB ' ' A' ' 522' ' ' VAL . 62.1 tp -136.62 119.45 16.25 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.065 -0.516 . . . . 0.2 110.348 179.758 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 562' ' ' GLU . . . . . 0.478 ' HB2' ' HB2' ' A' ' 549' ' ' ASN . 0.1 OUTLIER -101.17 135.82 42.03 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.844 -0.616 . . . . 2.09 110.307 178.72 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 563' ' ' MET . . . . . 0.61 ' SD ' ' HA ' ' A' ' 569' ' ' ALA . 35.1 mtt -124.45 149.02 47.26 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.541 -0.754 . . . . 0.39 109.101 -171.672 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 564' ' ' ALA . . . . . . . . . . . . . . . -71.32 -16.28 62.44 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.874 0.368 . . . . 0.5 111.722 -171.659 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 565' ' ' TYR . . . . . 0.469 ' HB3' ' HG2' ' A' ' 567' ' ' GLU . 98.7 m-85 -141.23 144.06 34.5 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 116.138 -0.483 . . . . 1.15 110.12 -178.094 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 566' ' ' THR . . . . . . . . . . . . . 6.8 t -67.62 -26.74 66.4 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.862 -0.608 . . . . 0.57 109.821 177.664 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 567' ' ' GLU . . . . . 0.469 ' HG2' ' HB3' ' A' ' 565' ' ' TYR . 12.0 pt-20 -58.25 -32.53 68.44 Favored 'General case' 0 C--N 1.334 -0.075 0 CA-C-N 115.596 -0.729 . . . . 0.89 110.449 176.02 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 568' ' ' ALA . . . . . 0.654 ' O ' ' HG3' ' A' ' 572' ' ' MET . . . -73.33 -42.96 61.67 Favored 'General case' 0 N--CA 1.449 -0.485 0 CA-C-N 115.846 -0.616 . . . . 0.26 109.876 -178.38 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 569' ' ' ALA . . . . . 0.61 ' HA ' ' SD ' ' A' ' 563' ' ' MET . . . -63.47 -46.1 87.75 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.841 -0.618 . . . . 0.24 111.045 -176.648 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 570' ' ' GLN . . . . . . . . . . . . . 13.5 pt20 -69.07 -35.97 77.12 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.124 -0.489 . . . . 1.24 110.59 -179.09 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 571' ' ' ALA . . . . . . . . . . . . . . . -63.58 -44.8 93.02 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-N 116.397 -0.365 . . . . 0.31 110.914 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 572' ' ' MET . . . . . 0.654 ' HG3' ' O ' ' A' ' 568' ' ' ALA . 34.7 mtt -64.5 -46.78 81.49 Favored 'General case' 0 CA--C 1.517 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.47 110.314 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 573' ' ' VAL . . . . . 0.659 ' O ' ' HG2' ' A' ' 577' ' ' GLN . 69.0 t -58.84 -48.17 87.07 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.285 0 C-N-CA 120.982 -0.287 . . . . 0.34 110.345 -179.44 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 574' ' ' GLN . . . . . . . . . . . . . 49.9 mt-30 -60.9 -38.73 86.71 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.797 0.332 . . . . 2.09 110.78 -179.874 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 575' ' ' TYR . . . . . . . . . . . . . 66.6 t80 -68.57 -52.45 31.6 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.934 -0.576 . . . . 0.48 110.749 -179.154 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 576' ' ' TYR . . . . . 0.592 ' CE2' HD12 ' A' ' 590' ' ' ILE . 61.3 m-85 -73.8 -13.58 60.96 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 112.652 0.612 . . . . 0.36 112.652 -176.918 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 577' ' ' GLN . . . . . 0.659 ' HG2' ' O ' ' A' ' 573' ' ' VAL . 15.9 mm-40 -64.56 -42.6 95.58 Favored 'General case' 0 C--N 1.331 -0.23 0 N-CA-C 109.166 -0.679 . . . . 1.89 109.166 171.219 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 578' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -91.92 -39.61 11.61 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.609 -0.723 . . . . 2.14 111.863 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 579' ' ' LYS . . . . . . . . . . . . . 94.6 mttt -129.51 85.67 58.13 Favored Pre-proline 0 C--N 1.328 -0.366 0 N-CA-C 110.142 -0.318 . . . . 2.46 110.142 178.39 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 580' ' ' PRO . . . . . . . . . . . . . 36.2 Cg_endo -65.71 160.67 42.43 Favored 'Trans proline' 0 CA--C 1.527 0.157 0 C-N-CA 122.604 2.202 . . . . 0.37 112.047 -179.623 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 581' ' ' ALA . . . . . 0.478 ' O ' ' HG ' ' A' ' 588' ' ' LEU . . . -90.82 130.33 36.8 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 109.465 -0.568 . . . . 0.27 109.465 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 582' ' ' ILE . . . . . . . . . . . . . 59.2 mt -105.46 121.3 57.45 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 CA-C-O 120.814 0.34 . . . . 0.51 111.711 -172.71 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 583' ' ' ILE . . . . . . . . . . . . . 33.2 mm -125.01 114.09 38.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 115.755 -0.657 . . . . 0.51 109.508 175.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 584' ' ' ASN . . . . . . . . . . . . . 67.7 m-20 58.63 32.7 22.44 Favored 'General case' 0 N--CA 1.469 0.485 0 CA-C-O 121.251 0.548 . . . . 1.1 110.225 -177.131 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 585' ' ' GLY . . . . . . . . . . . . . . . 83.76 3.17 89.61 Favored Glycine 0 N--CA 1.443 -0.842 0 CA-C-N 115.708 -0.678 . . . . 0.44 113.391 179.223 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 586' ' ' GLU . . . . . . . . . . . . . 8.6 mm-40 -101.13 125.46 47.75 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 117.262 0.531 . . . . 1.79 110.407 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 587' ' ' LYS . . . . . . . . . . . . . 95.7 mttt -76.47 116.35 17.07 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.72 -0.673 . . . . 1.67 111.413 177.854 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 588' ' ' LEU . . . . . 0.478 ' HG ' ' O ' ' A' ' 581' ' ' ALA . 43.8 mt -79.56 136.52 36.89 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.03 -0.532 . . . . 0.24 110.193 179.679 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 589' ' ' LEU . . . . . . . . . . . . . 41.4 tp -112.67 111.74 22.76 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 116.048 -0.523 . . . . 0.38 110.612 -179.233 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 590' ' ' ILE . . . . . 0.592 HD12 ' CE2' ' A' ' 576' ' ' TYR . 20.5 mt -102.0 118.93 49.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 N-CA-C 109.902 -0.407 . . . . 0.26 109.902 176.598 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 591' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -147.29 166.0 28.39 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.924 0.392 . . . . 2.62 110.688 -178.316 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 592' ' ' MET . . . . . 0.688 ' SD ' ' HE2' ' A' ' 516' ' ' LYS . 61.8 mtt -81.9 144.22 31.12 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.012 -0.54 . . . . 0.34 110.118 -177.002 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 593' ' ' SER . . . . . 0.617 ' HB3' ' O2 ' ' B' ' 3' ' ' ' C' . 20.0 m -94.14 137.82 32.89 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.666 0.746 . . . . 1.37 112.843 -172.334 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 594' ' ' THR . . . . . . . . . . . . . 18.1 p -91.78 -17.49 25.28 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 114.453 -1.249 . . . . 0.38 112.631 -177.166 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 595' ' ' ARG . . . . . 0.508 ' HD2' " O2'" ' B' ' 3' ' ' ' C' . 94.4 mtt180 -100.08 -28.99 12.77 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 112.395 0.517 . . . . 2.75 112.395 -167.633 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 596' ' ' TYR . . . . . . . . . . . . . 42.0 m-85 -124.46 149.3 46.96 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.989 0.423 . . . . 0.65 111.807 -178.37 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 597' ' ' LYS . . . . . . . . . . . . . 71.8 mmtt -109.55 -12.67 14.66 Favored 'General case' 0 C--O 1.222 -0.352 0 CA-C-N 115.564 -0.744 . . . . 2.18 111.839 179.89 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 598' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -142.84 151.9 41.6 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.079 0.466 . . . . 0.95 111.143 -177.3 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 599' ' ' LEU . . . . . 0.718 HD21 HG13 ' A' ' 521' ' ' VAL . 62.9 mt -116.24 122.8 46.04 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.428 -0.805 . . . . 0.45 110.675 176.31 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 600' ' ' GLN . . . . . . . . . . . . . 30.0 tt0 -112.6 132.77 54.98 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.737 -0.665 . . . . 1.52 110.0 178.059 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 601' ' ' LEU . . . . . 0.403 ' HG ' HD22 ' A' ' 549' ' ' ASN . 60.6 mt -82.17 92.95 6.97 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.913 0.387 . . . . 0.46 111.061 -179.415 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 602' ' ' LYS . . . . . . . . . . . . . 9.1 mtpm? -77.41 -17.74 57.88 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.096 0.474 . . . . 1.73 110.063 175.122 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 603' ' ' LYS . . . . . . . . . . . . . 34.7 mmtp -121.49 142.41 35.49 Favored Pre-proline 0 C--N 1.325 -0.466 0 CA-C-N 115.775 -0.648 . . . . 1.69 109.737 177.663 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 604' ' ' PRO . . . . . . . . . . . . . 58.6 Cg_endo -72.56 160.05 47.5 Favored 'Trans proline' 0 C--O 1.236 0.413 0 C-N-CA 122.332 2.021 . . . . 1.21 112.576 -178.554 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 605' ' ' GLY . . . . . . . . . . . . . . . -138.64 173.0 22.79 Favored Glycine 0 N--CA 1.436 -1.3 0 N-CA-C 110.292 -1.123 . . . . 1.23 110.292 179.561 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 606' ' ' LYS . . . . . . . . . . . . . 51.1 mtmt -97.85 176.75 5.68 Favored 'General case' 0 C--N 1.31 -1.12 0 N-CA-C 110.07 -0.344 . . . . 3.47 110.07 179.49 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 607' ' ' ASN . . . . . . . . . . . . . 31.5 t30 -57.65 121.7 11.0 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.221 0.534 . . . . 1.33 111.067 176.384 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 608' ' ' VAL . . . . . 0.532 HG11 ' HB ' ' A' ' 547' ' ' VAL . 57.9 t -79.74 -21.14 12.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 115.505 -0.771 . . . . 0.3 110.885 -177.095 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 609' ' ' ALA . . . . . . . . . . . . . . . -66.1 -36.17 82.45 Favored 'General case' 0 C--O 1.236 0.377 0 CA-C-O 121.499 0.666 . . . . 0.44 110.705 176.745 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 610' ' ' ALA . . . . . . . . . . . . . . . -63.75 -26.87 68.84 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.741 -0.663 . . . . 0.4 109.999 177.813 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 611' ' ' ILE . . . . . 0.419 ' CD1' HD12 ' A' ' 538' ' ' ILE . 70.0 mt -70.56 -30.85 44.25 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.406 0 CA-C-N 115.393 -0.821 . . . . 0.25 109.714 177.825 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 612' ' ' ILE . . . . . 0.478 ' CG1' HD13 ' A' ' 542' ' ' LEU . 66.9 mt -60.5 -40.49 84.48 Favored 'Isoleucine or valine' 0 C--O 1.233 0.234 0 N-CA-C 109.526 -0.546 . . . . 0.31 109.526 172.312 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 613' ' ' GLN . . . . . . . . . . . . . 32.6 mm-40 -62.67 -34.66 77.55 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.806 -0.633 . . . . 2.31 110.274 175.825 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 614' ' ' ASP . . . . . 0.441 ' O ' ' HG2' ' A' ' 618' ' ' GLN . 40.1 m-20 -66.26 -43.59 86.04 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.769 -0.651 . . . . 1.95 110.439 178.775 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 615' ' ' ILE . . . . . 0.546 ' CD1' ' HB2' ' A' ' 542' ' ' LEU . 88.3 mt -61.27 -44.74 98.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.364 -0.38 . . . . 0.35 110.668 177.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 616' ' ' HIS . . . . . . . . . . . . . 9.8 m-70 -63.03 -30.36 71.54 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.031 -0.531 . . . . 1.26 110.757 177.84 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 617' ' ' SER . . . . . . . . . . . . . 31.4 t -74.28 -24.92 59.32 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.939 -0.573 . . . . 1.18 110.775 178.199 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 618' ' ' GLN . . . . . 0.441 ' HG2' ' O ' ' A' ' 614' ' ' ASP . 13.9 mm100 -92.87 97.72 10.92 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.364 0.602 . . . . 4.68 111.559 -177.448 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 619' ' ' ARG . . . . . . . . . . . . . 18.2 mtp180 -121.37 99.11 6.29 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.347 -0.842 . . . . 7.77 109.504 178.252 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 620' ' ' GLU . . . . . . . . . . . . . 8.3 tp10 -81.05 48.62 1.13 Allowed 'General case' 0 CA--C 1.534 0.328 0 CA-C-O 121.189 0.519 . . . . 7.92 110.773 -176.067 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 621' ' ' ARG . . . . . . . . . . . . . 61.6 ttp180 . . . . . 0 C--O 1.248 0.982 0 CA-C-N 115.762 -0.654 . . . . 11.0 109.415 178.501 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 1' ' ' ADN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 2' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.824 0 C4'-C3'-O3' 113.856 1.252 OUTLIER-EPSILON 0.0 '__' . 2.99 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 3' ' ' ' C' . . . . . 0.457 " H2'" ' HD2' ' A' ' 595' ' ' ARG . . . . . . . . 0 O5'--C5' 1.425 -0.926 0 P-O3'-C3' 123.093 2.827 . 0.0 OUTLIER epsilon-1 1.58 . . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 4' ' ' ' U' . . . . . 0.454 ' O4 ' ' HA ' ' A' ' 599' ' ' LEU . . . . . . . . 0 O5'--C5' 1.425 -0.921 0 C3'-C2'-C1' 100.222 -1.42 . 0.0 OUTLIER gamma 1.15 . . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 5' ' ' ' U' . . . . . 0.635 ' C4 ' HG23 ' A' ' 551' ' ' ILE . . . . . . . . 0 O5'--C5' 1.425 -0.956 0 C3'-C2'-C1' 100.326 -1.304 . 0.624 4b . 1.33 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 6' ' ' ' A' . . . . . 0.47 " C5'" ' HB2' ' A' ' 554' ' ' LYS . . . . . . . . 0 O5'--C5' 1.427 -0.799 0 C4'-C3'-C2' 103.31 0.61 . 0.0 OUTLIER gamma 4.23 . . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 510' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.665 0 N-CA-C 112.031 -0.428 . . . . 8.88 112.031 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 511' ' ' ALA . . . . . . . . . . . . . . . -157.23 153.54 27.72 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 109.817 -0.438 . . . . 6.64 109.817 178.877 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 512' ' ' MET . . . . . 0.415 ' C ' ' H ' ' A' ' 514' ' ' GLN . 27.3 ttt 73.14 -46.62 0.65 Allowed 'General case' 0 N--CA 1.47 0.533 0 C-N-CA 123.453 0.701 . . . . 6.33 111.871 179.471 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 513' ' ' ALA . . . . . . . . . . . . . . . -80.02 32.64 0.27 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.497 0.665 . . . . 4.2 110.952 -179.824 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 514' ' ' GLN . . . . . 0.415 ' H ' ' C ' ' A' ' 512' ' ' MET . 93.3 mt-30 -99.32 136.24 39.56 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.381 -0.827 . . . . 2.88 109.337 178.639 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 515' ' ' ARG . . . . . . . . . . . . . 22.1 mmt180 -77.41 121.13 23.37 Favored 'General case' 0 C--N 1.319 -0.737 0 N-CA-C 109.803 -0.443 . . . . 4.0 109.803 -179.874 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 516' ' ' LYS . . . . . . . . . . . . . 30.3 mmtp -138.04 22.74 2.82 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.87 -0.604 . . . . 1.89 109.904 -179.816 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 517' ' ' GLY . . . . . . . . . . . . . . . -78.27 -85.22 0.52 Allowed Glycine 0 N--CA 1.447 -0.622 0 CA-C-N 115.597 -0.729 . . . . 2.04 111.504 179.64 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 518' ' ' ALA . . . . . . . . . . . . . . . -104.51 -3.72 23.58 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.262 0.553 . . . . 1.75 110.424 177.844 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 519' ' ' GLY . . . . . . . . . . . . . . . -123.91 97.26 0.55 Allowed Glycine 0 N--CA 1.444 -0.828 0 CA-C-N 115.226 -0.897 . . . . 0.67 111.721 178.483 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 520' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -110.62 134.2 52.64 Favored 'General case' 0 C--N 1.325 -0.487 0 C-N-CA 120.235 -0.586 . . . . 2.22 109.591 174.119 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 521' ' ' VAL . . . . . 0.843 HG13 HD21 ' A' ' 599' ' ' LEU . 89.2 t -117.1 121.39 67.64 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.813 0 CA-C-N 115.784 -0.644 . . . . 0.32 110.733 172.04 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 522' ' ' VAL . . . . . . . . . . . . . 22.8 t -121.64 121.35 64.21 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.823 0 N-CA-C 108.546 -0.909 . . . . 0.22 108.546 179.521 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 523' ' ' HIS . . . . . . . . . . . . . 33.4 t-80 -106.19 134.05 49.93 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.093 0.473 . . . . 0.44 109.992 -176.179 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 524' ' ' ILE . . . . . 0.449 HG23 HG12 ' A' ' 590' ' ' ILE . 28.5 mt -111.75 143.02 22.38 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.963 0 N-CA-C 108.684 -0.858 . . . . 0.19 108.684 178.559 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 525' ' ' CYS . . . . . 0.584 ' SG ' ' HB3' ' A' ' 589' ' ' LEU . 7.6 p -139.7 164.28 30.34 Favored 'General case' 0 C--N 1.314 -0.938 0 C-N-CA 120.68 -0.408 . . . . 1.17 111.299 -178.114 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 526' ' ' ASN . . . . . 0.437 ' HB2' ' O ' ' A' ' 525' ' ' CYS . 83.9 m-20 86.9 27.38 0.04 OUTLIER 'General case' 0 N--CA 1.47 0.536 0 O-C-N 124.863 1.352 . . . . 0.26 110.706 174.766 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 527' ' ' LEU . . . . . . . . . . . . . 80.1 mt -84.26 124.18 74.26 Favored Pre-proline 0 C--N 1.325 -0.469 0 N-CA-C 109.011 -0.737 . . . . 0.25 109.011 177.161 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 528' ' ' PRO . . . . . . . . . . . . . 7.6 Cg_exo -71.99 135.2 24.9 Favored 'Trans proline' 0 N--CA 1.459 -0.522 0 C-N-CA 121.56 1.507 . . . . 0.38 111.614 -179.666 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 529' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -65.19 138.85 58.52 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 116.003 -0.544 . . . . 1.6 110.089 177.638 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 530' ' ' GLY . . . . . . . . . . . . . . . 85.9 5.15 84.05 Favored Glycine 0 N--CA 1.444 -0.799 0 C-N-CA 120.053 -1.07 . . . . 0.48 110.559 -173.726 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 531' ' ' SER . . . . . . . . . . . . . 57.7 m -150.53 6.7 0.56 Allowed 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.192 0.52 . . . . 1.08 110.176 -174.626 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 532' ' ' CYS . . . . . . . . . . . . . 62.0 m -87.94 86.03 7.08 Favored 'General case' 0 CA--C 1.515 -0.397 0 N-CA-C 109.132 -0.692 . . . . 0.25 109.132 177.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 533' ' ' THR . . . . . 0.539 ' O ' HG23 ' A' ' 537' ' ' VAL . 29.1 p -99.76 151.85 20.78 Favored 'General case' 0 N--CA 1.443 -0.803 0 C-N-CA 119.837 -0.745 . . . . 0.35 109.04 -178.661 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 534' ' ' GLU . . . . . 0.572 ' N ' HD11 ' A' ' 552' ' ' LEU . 48.0 mt-10 -66.13 -34.05 77.17 Favored 'General case' 0 C--N 1.317 -0.81 0 N-CA-C 108.539 -0.912 . . . . 1.64 108.539 175.029 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 535' ' ' ASN . . . . . . . . . . . . . 14.4 t-20 -61.14 -49.84 75.62 Favored 'General case' 0 C--O 1.219 -0.526 0 CA-C-N 114.272 -1.331 . . . . 1.82 112.12 -176.88 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 536' ' ' ASP . . . . . . . . . . . . . 12.5 m-20 -69.63 -44.2 71.15 Favored 'General case' 0 N--CA 1.472 0.658 0 CA-C-O 121.629 0.728 . . . . 0.61 111.058 -174.396 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 537' ' ' VAL . . . . . 0.539 HG23 ' O ' ' A' ' 533' ' ' THR . 33.2 t -60.08 -47.66 91.02 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.776 0 CA-C-N 114.528 -1.214 . . . . 0.15 109.75 -178.615 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 538' ' ' ILE . . . . . 0.617 HD11 ' CG ' ' A' ' 550' ' ' TYR . 66.6 mt -68.39 -34.06 63.77 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.664 0 CA-C-N 115.347 -0.842 . . . . 0.23 111.575 176.029 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 539' ' ' ASN . . . . . 0.579 ' HA ' HD11 ' A' ' 615' ' ' ILE . 11.2 m120 -58.31 -27.02 63.71 Favored 'General case' 0 CA--C 1.512 -0.513 0 C-N-CA 120.966 -0.294 . . . . 0.25 110.521 177.558 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 540' ' ' LEU . . . . . 0.506 HD11 HD12 ' A' ' 588' ' ' LEU . 83.0 mt -76.05 -42.01 48.92 Favored 'General case' 0 C--N 1.324 -0.533 0 C-N-CA 120.724 -0.39 . . . . 0.27 110.271 173.736 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 541' ' ' GLY . . . . . 0.559 ' CA ' HD21 ' A' ' 561' ' ' LEU . . . -61.13 -49.92 72.92 Favored Glycine 0 CA--C 1.523 0.593 0 N-CA-C 115.772 1.069 . . . . 0.19 115.772 179.87 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 542' ' ' LEU . . . . . 0.496 ' HA ' ' O ' ' A' ' 545' ' ' GLY . 74.8 mt -63.62 -41.3 64.89 Favored Pre-proline 0 C--N 1.319 -0.744 0 N-CA-C 115.219 1.563 . . . . 0.2 115.219 -168.541 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 543' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_exo -61.0 -26.82 83.84 Favored 'Trans proline' 0 CA--C 1.531 0.348 0 C-N-CA 121.565 1.51 . . . . 0.23 113.851 -179.026 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 544' ' ' PHE . . . . . 0.612 ' HB2' ' HE1' ' A' ' 572' ' ' MET . 86.1 m-85 -99.66 -15.16 18.65 Favored 'General case' 0 C--O 1.234 0.237 0 O-C-N 122.073 -0.392 . . . . 0.33 111.652 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 545' ' ' GLY . . . . . 0.496 ' O ' ' HA ' ' A' ' 542' ' ' LEU . . . -175.51 -174.42 42.08 Favored Glycine 0 C--O 1.223 -0.533 0 C-N-CA 120.704 -0.76 . . . . 0.44 112.454 -177.522 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 546' ' ' LYS . . . . . . . . . . . . . 39.9 ttpt -95.61 123.52 39.2 Favored 'General case' 0 C--N 1.32 -0.712 0 O-C-N 122.072 -0.664 . . . . 2.07 109.708 -178.569 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 547' ' ' VAL . . . . . 0.598 ' HB ' HG11 ' A' ' 608' ' ' VAL . 76.8 t -84.5 113.5 23.32 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-O 121.144 0.497 . . . . 0.2 110.323 177.063 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 548' ' ' THR . . . . . . . . . . . . . 21.9 p -95.06 -35.48 11.91 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 115.699 -0.682 . . . . 0.31 111.202 177.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 549' ' ' ASN . . . . . 0.494 ' OD1' HD11 ' A' ' 601' ' ' LEU . 94.7 m-20 -142.41 158.01 44.16 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.841 -0.618 . . . . 1.26 110.638 -178.136 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 550' ' ' TYR . . . . . 0.617 ' CG ' HD11 ' A' ' 538' ' ' ILE . 2.7 p90 -159.48 151.59 20.85 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.562 -0.744 . . . . 0.31 109.385 -179.078 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 551' ' ' ILE . . . . . 0.635 HG23 ' C4 ' ' B' ' 5' ' ' ' U' . 66.9 mt -144.27 123.88 7.66 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 N-CA-C 108.456 -0.942 . . . . 0.22 108.456 -175.924 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 552' ' ' LEU . . . . . 0.572 HD11 ' N ' ' A' ' 534' ' ' GLU . 22.2 mt -106.58 113.45 26.97 Favored 'General case' 0 C--N 1.316 -0.86 0 C-N-CA 119.954 -0.698 . . . . 0.43 110.404 -179.167 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 553' ' ' MET . . . . . 0.47 ' HA ' " C4'" ' B' ' 5' ' ' ' U' . 28.0 mtp -97.62 79.8 2.75 Favored 'General case' 0 C--N 1.319 -0.752 0 N-CA-C 108.113 -1.069 . . . . 1.03 108.113 -176.739 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 554' ' ' LYS . . . . . 0.47 ' HB2' " C5'" ' B' ' 6' ' ' ' A' . 28.9 mmtp -54.45 -29.22 48.85 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 114.794 -1.094 . . . . 1.03 113.104 177.859 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 555' ' ' SER . . . . . . . . . . . . . 67.4 p -69.17 -40.6 78.05 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 120.77 0.319 . . . . 0.51 111.313 -175.167 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 556' ' ' THR . . . . . . . . . . . . . 52.0 p -101.15 4.38 41.99 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 112.789 0.663 . . . . 0.45 112.789 -177.231 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 557' ' ' ASN . . . . . . . . . . . . . 2.6 m-20 58.78 39.93 23.59 Favored 'General case' 0 N--CA 1.469 0.523 0 CA-C-O 121.967 0.889 . . . . 1.28 109.907 -176.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 558' ' ' GLN . . . . . . . . . . . . . 26.7 mt-30 -137.89 169.29 18.04 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 114.763 -1.108 . . . . 0.84 109.367 -175.384 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 559' ' ' ALA . . . . . . . . . . . . . . . -157.95 165.27 35.59 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 118.036 0.38 . . . . 0.16 111.887 -178.828 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 560' ' ' PHE . . . . . 0.537 ' HB2' ' HB ' ' A' ' 551' ' ' ILE . 84.9 m-85 -119.06 149.48 41.59 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.235 -0.439 . . . . 0.35 110.475 173.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 561' ' ' LEU . . . . . 0.559 HD21 ' CA ' ' A' ' 541' ' ' GLY . 51.1 tp -138.42 119.65 14.66 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.542 -0.754 . . . . 0.2 110.052 -178.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 562' ' ' GLU . . . . . 0.549 ' HB2' HD12 ' A' ' 599' ' ' LEU . 29.3 tt0 -99.24 133.34 43.68 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.432 0.634 . . . . 2.09 110.846 -178.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 563' ' ' MET . . . . . 0.549 ' HE1' ' HG3' ' A' ' 572' ' ' MET . 10.0 mtt -120.57 144.13 48.25 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 114.91 -1.041 . . . . 0.39 109.423 -175.007 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 564' ' ' ALA . . . . . . . . . . . . . . . -67.44 -21.99 65.52 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 112.828 0.677 . . . . 0.5 112.828 -169.347 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 565' ' ' TYR . . . . . . . . . . . . . 77.9 m-85 -140.49 151.88 45.16 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 120.885 0.374 . . . . 1.15 110.271 178.369 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 566' ' ' THR . . . . . . . . . . . . . 14.0 t -65.84 -26.75 67.8 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.588 -0.733 . . . . 0.57 110.646 -177.637 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 567' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -56.21 -33.1 65.03 Favored 'General case' 0 C--O 1.233 0.194 0 CA-C-N 115.962 -0.563 . . . . 0.89 111.186 175.084 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 568' ' ' ALA . . . . . 0.761 ' O ' ' HG2' ' A' ' 572' ' ' MET . . . -73.6 -43.11 60.5 Favored 'General case' 0 N--CA 1.449 -0.519 0 CA-C-N 116.114 -0.494 . . . . 0.26 109.938 -175.831 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 569' ' ' ALA . . . . . 0.533 ' HA ' ' SD ' ' A' ' 563' ' ' MET . . . -62.03 -44.31 96.98 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.726 -0.67 . . . . 0.24 111.683 -175.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 570' ' ' GLN . . . . . 0.492 ' O ' ' HG2' ' A' ' 574' ' ' GLN . 9.3 pt20 -67.93 -36.01 79.41 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.386 -0.37 . . . . 1.24 110.443 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 571' ' ' ALA . . . . . . . . . . . . . . . -62.38 -39.65 93.89 Favored 'General case' 0 N--CA 1.454 -0.242 0 CA-C-N 116.315 -0.402 . . . . 0.31 110.693 177.91 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 572' ' ' MET . . . . . 0.761 ' HG2' ' O ' ' A' ' 568' ' ' ALA . 13.2 mmt -60.77 -49.57 76.97 Favored 'General case' 0 CA--C 1.519 -0.246 0 CA-C-N 116.048 -0.524 . . . . 0.47 109.739 177.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 573' ' ' VAL . . . . . . . . . . . . . 59.5 t -63.47 -47.63 90.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 115.57 -0.741 . . . . 0.34 110.626 -176.879 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 574' ' ' GLN . . . . . 0.492 ' HG2' ' O ' ' A' ' 570' ' ' GLN . 79.6 mm-40 -61.89 -39.45 92.0 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.759 0.314 . . . . 2.09 111.065 -178.497 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 575' ' ' TYR . . . . . . . . . . . . . 56.0 t80 -69.6 -53.42 18.91 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.273 -0.421 . . . . 0.48 110.908 -177.734 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 576' ' ' TYR . . . . . 0.562 ' CE2' HD12 ' A' ' 590' ' ' ILE . 63.1 m-85 -76.47 -13.19 60.12 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 113.146 0.795 . . . . 0.36 113.146 -173.872 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 577' ' ' GLN . . . . . . . . . . . . . 18.2 mm-40 -71.18 -40.73 71.05 Favored 'General case' 0 C--N 1.323 -0.55 0 C-N-CA 120.449 -0.5 . . . . 1.89 110.029 170.287 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 578' ' ' GLU . . . . . . . . . . . . . 18.8 mm-40 -87.11 -38.9 16.05 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.327 -0.397 . . . . 2.14 111.383 178.498 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 579' ' ' LYS . . . . . 0.462 ' O ' ' HA ' ' A' ' 576' ' ' TYR . 97.6 mttt -136.83 91.31 15.49 Favored Pre-proline 0 C--N 1.327 -0.407 0 N-CA-C 109.947 -0.39 . . . . 2.46 109.947 177.354 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 580' ' ' PRO . . . . . . . . . . . . . 36.6 Cg_endo -66.99 162.02 39.95 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.893 2.395 . . . . 0.37 112.542 -179.447 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 581' ' ' ALA . . . . . 0.537 ' HB2' ' CE1' ' A' ' 576' ' ' TYR . . . -90.25 129.06 36.54 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 109.691 -0.485 . . . . 0.27 109.691 179.717 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 582' ' ' ILE . . . . . . . . . . . . . 52.7 mt -98.71 119.9 47.33 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.703 0 CA-C-N 116.241 -0.436 . . . . 0.51 111.246 -172.515 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 583' ' ' ILE . . . . . 0.413 HG13 HD11 ' A' ' 588' ' ' LEU . 37.9 mm -123.45 112.17 32.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 N-CA-C 109.463 -0.569 . . . . 0.51 109.463 173.865 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 584' ' ' ASN . . . . . . . . . . . . . 80.3 m-20 57.58 33.68 23.57 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-O 121.342 0.591 . . . . 1.1 110.38 -178.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 585' ' ' GLY . . . . . . . . . . . . . . . 84.91 1.89 88.69 Favored Glycine 0 N--CA 1.444 -0.781 0 CA-C-N 115.398 -0.819 . . . . 0.44 113.499 179.624 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 586' ' ' GLU . . . . . . . . . . . . . 27.0 mm-40 -101.76 125.81 48.5 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 117.144 0.472 . . . . 1.79 110.806 -179.459 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 587' ' ' LYS . . . . . . . . . . . . . 50.8 mttp -74.28 117.57 16.24 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.494 -0.775 . . . . 1.67 110.989 176.757 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 588' ' ' LEU . . . . . 0.506 HD12 HD11 ' A' ' 540' ' ' LEU . 47.2 mt -79.57 134.17 36.47 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 109.991 -0.374 . . . . 0.24 109.991 176.817 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 589' ' ' LEU . . . . . 0.584 ' HB3' ' SG ' ' A' ' 525' ' ' CYS . 59.2 tp -111.59 111.36 22.31 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 115.991 -0.55 . . . . 0.38 110.088 -178.32 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 590' ' ' ILE . . . . . 0.562 HD12 ' CE2' ' A' ' 576' ' ' TYR . 17.4 mt -100.85 126.26 54.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 115.891 -0.595 . . . . 0.26 110.258 178.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 591' ' ' ARG . . . . . . . . . . . . . 71.3 mtp180 -145.82 159.7 42.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.25 -0.432 . . . . 2.62 109.89 -176.196 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 592' ' ' MET . . . . . . . . . . . . . 63.6 mtt -82.61 147.83 28.35 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 109.437 -0.579 . . . . 0.34 109.437 179.194 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 593' ' ' SER . . . . . . . . . . . . . 33.2 t -87.27 136.97 32.73 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.526 0.679 . . . . 1.37 111.57 -174.53 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 594' ' ' THR . . . . . . . . . . . . . 19.2 p -90.4 -14.19 33.46 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 114.861 -1.063 . . . . 0.38 110.943 177.619 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 595' ' ' ARG . . . . . 0.457 ' HD2' " H2'" ' B' ' 3' ' ' ' C' . 99.1 mtt180 -102.99 -27.96 12.3 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 112.468 0.544 . . . . 2.75 112.468 -170.228 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 596' ' ' TYR . . . . . 0.444 ' HB3' HG21 ' A' ' 521' ' ' VAL . 53.4 m-85 -119.48 141.02 49.54 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.822 0.344 . . . . 0.65 111.785 -177.344 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 597' ' ' LYS . . . . . 0.493 ' N ' ' HD2' ' A' ' 597' ' ' LYS . 0.3 OUTLIER -108.76 -8.23 15.4 Favored 'General case' 0 CA--C 1.518 -0.287 0 CA-C-N 115.8 -0.637 . . . . 2.18 110.532 174.638 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 598' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 -146.43 148.92 32.79 Favored 'General case' 0 N--CA 1.449 -0.521 0 CA-C-O 121.11 0.481 . . . . 0.95 110.498 178.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 599' ' ' LEU . . . . . 0.843 HD21 HG13 ' A' ' 521' ' ' VAL . 37.8 mt -105.3 127.88 53.17 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.566 -0.743 . . . . 0.45 111.008 175.592 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 600' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -111.86 131.13 55.56 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.605 -0.725 . . . . 1.52 110.261 176.594 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 601' ' ' LEU . . . . . 0.589 ' HB3' ' O ' ' A' ' 603' ' ' LYS . 62.5 mt -83.33 101.51 11.36 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.131 -0.486 . . . . 0.46 111.266 -179.348 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 602' ' ' LYS . . . . . 0.512 ' HB2' ' C4 ' ' B' ' 5' ' ' ' U' . 28.3 mmtp -64.76 -26.81 68.51 Favored 'General case' 0 C--N 1.331 -0.223 0 N-CA-C 109.115 -0.698 . . . . 1.73 109.115 168.805 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 603' ' ' LYS . . . . . 0.589 ' O ' ' HB3' ' A' ' 601' ' ' LEU . 75.9 mmtt -113.38 135.06 21.83 Favored Pre-proline 0 C--N 1.325 -0.483 0 CA-C-N 114.859 -1.064 . . . . 1.69 108.7 178.501 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 604' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -58.05 -24.69 67.15 Favored 'Trans proline' 0 C--N 1.345 0.372 0 C-N-CA 123.346 2.697 . . . . 1.21 113.625 -173.754 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 605' ' ' GLY . . . . . . . . . . . . . . . 81.17 162.22 28.25 Favored Glycine 0 N--CA 1.442 -0.908 0 C-N-CA 120.907 -0.663 . . . . 1.23 112.35 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 606' ' ' LYS . . . . . . . . . . . . . 51.5 mttp -113.39 166.58 11.34 Favored 'General case' 0 C--N 1.314 -0.939 0 N-CA-C 108.791 -0.818 . . . . 3.47 108.791 176.412 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 607' ' ' ASN . . . . . . . . . . . . . 23.8 t-20 -57.97 121.96 11.83 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.161 0.505 . . . . 1.33 111.086 177.33 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 608' ' ' VAL . . . . . 0.598 HG11 ' HB ' ' A' ' 547' ' ' VAL . 72.1 t -91.57 -21.07 6.53 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 CA-C-N 115.578 -0.737 . . . . 0.3 110.933 -176.526 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 609' ' ' ALA . . . . . . . . . . . . . . . -60.46 -35.64 76.35 Favored 'General case' 0 C--O 1.237 0.407 0 CA-C-O 121.381 0.61 . . . . 0.44 110.801 176.042 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 610' ' ' ALA . . . . . . . . . . . . . . . -65.02 -27.29 68.71 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.906 -0.588 . . . . 0.4 110.263 176.879 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 611' ' ' ILE . . . . . . . . . . . . . 74.9 mt -71.26 -30.55 40.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 115.819 -0.628 . . . . 0.25 109.534 178.36 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 612' ' ' ILE . . . . . 0.411 ' CG1' HD13 ' A' ' 542' ' ' LEU . 68.2 mt -60.9 -44.34 97.66 Favored 'Isoleucine or valine' 0 C--O 1.231 0.099 0 N-CA-C 109.573 -0.529 . . . . 0.31 109.573 172.526 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 613' ' ' GLN . . . . . . . . . . . . . 22.9 mt-30 -62.84 -32.29 73.47 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.31 0.576 . . . . 2.31 110.128 177.544 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 614' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -65.99 -44.55 84.5 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.162 -0.927 . . . . 1.95 110.23 177.906 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 615' ' ' ILE . . . . . 0.579 HD11 ' HA ' ' A' ' 539' ' ' ASN . 93.6 mt -62.35 -36.15 73.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.087 -0.506 . . . . 0.35 110.738 177.314 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 616' ' ' HIS . . . . . . . . . . . . . 11.9 m-70 -64.3 -34.87 79.12 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.337 -0.392 . . . . 1.26 110.605 177.583 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 617' ' ' SER . . . . . . . . . . . . . 27.3 m -75.38 -38.0 60.23 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.917 0.389 . . . . 1.18 110.947 177.712 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 618' ' ' GLN . . . . . . . . . . . . . 45.6 mt-30 -139.58 106.06 5.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.12 -0.491 . . . . 4.68 110.505 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 619' ' ' ARG . . . . . . . . . . . . . 23.5 mtm180 -87.08 142.46 27.91 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 109.973 -0.38 . . . . 7.77 109.973 177.061 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 620' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -95.29 154.88 16.98 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.506 -0.315 . . . . 7.92 111.656 -175.931 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 621' ' ' ARG . . . . . 0.709 ' HA ' ' CZ ' ' A' ' 621' ' ' ARG . 0.1 OUTLIER . . . . . 0 C--O 1.248 0.991 0 CA-C-O 118.199 -0.905 . . . . 11.0 109.77 177.5 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 1' ' ' ADN . . . . . 0.599 HO2' ' H6 ' ' B' ' 2' ' ' ' U' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 2' ' ' ' U' . . . . . 0.599 ' H6 ' HO2' ' B' ' 1' ' ' ADN . . . . . . . . 0 O5'--C5' 1.426 -0.874 0 C3'-C2'-C1' 100.006 -1.66 . 0.0 '__' . 2.99 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 3' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.933 0 O4'-C1'-N19 109.128 0.928 . 0.0 OUTLIER . 1.58 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 4' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.909 0 C3'-C2'-C1' 99.464 -2.262 . 0.0 OUTLIER . 1.15 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 5' ' ' ' U' . . . . . 0.606 " H4'" ' HA ' ' A' ' 553' ' ' MET . . . . . . . . 0 O5'--C5' 1.425 -0.92 0 C3'-C2'-C1' 100.006 -1.66 . 0.305 4b . 1.33 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 6' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.837 0 C4'-C3'-C2' 103.431 0.731 . 0.0 OUTLIER gamma 4.23 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 510' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.597 0 N-CA-C 112.068 -0.413 . . . . 8.88 112.068 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 511' ' ' ALA . . . . . . . . . . . . . . . 58.85 40.6 22.6 Favored 'General case' 0 C--O 1.233 0.208 0 C-N-CA 122.884 0.474 . . . . 6.64 111.624 178.522 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 512' ' ' MET . . . . . . . . . . . . . 27.4 ttt -132.48 -62.05 0.84 Allowed 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.096 -0.502 . . . . 6.33 110.098 178.379 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 513' ' ' ALA . . . . . . . . . . . . . . . -157.71 147.28 20.05 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.248 -0.433 . . . . 4.2 110.974 -179.259 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 514' ' ' GLN . . . . . 0.492 ' HB2' ' HG2' ' A' ' 516' ' ' LYS . 93.4 mt-30 66.42 5.55 3.82 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-N 115.762 -0.654 . . . . 2.88 112.233 172.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 515' ' ' ARG . . . . . . . . . . . . . 97.5 mtt180 61.83 32.03 18.17 Favored 'General case' 0 N--CA 1.465 0.294 0 C-N-CA 122.988 0.515 . . . . 4.0 111.079 179.468 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 516' ' ' LYS . . . . . 0.492 ' HG2' ' HB2' ' A' ' 514' ' ' GLN . 32.5 mmtp -80.65 67.26 6.46 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.532 0.682 . . . . 1.89 111.196 -177.08 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 517' ' ' GLY . . . . . . . . . . . . . . . -133.55 -80.87 0.16 Allowed Glycine 0 N--CA 1.443 -0.852 0 N-CA-C 110.497 -1.041 . . . . 2.04 110.497 174.88 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 518' ' ' ALA . . . . . . . . . . . . . . . -87.47 65.07 8.47 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 109.152 -0.684 . . . . 1.75 109.152 172.134 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 519' ' ' GLY . . . . . . . . . . . . . . . 138.17 111.85 1.05 Allowed Glycine 0 N--CA 1.445 -0.706 0 CA-C-N 115.135 -0.938 . . . . 0.67 110.854 -174.627 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 520' ' ' ARG . . . . . . . . . . . . . 17.2 mtm-85 -133.29 135.07 44.64 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.326 0.584 . . . . 2.22 111.451 -179.725 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 521' ' ' VAL . . . . . 0.712 HG13 HD21 ' A' ' 599' ' ' LEU . 92.3 t -117.38 121.75 68.32 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.697 0 CA-C-N 115.253 -0.885 . . . . 0.32 109.947 165.646 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 522' ' ' VAL . . . . . 0.557 ' HB ' ' O ' ' A' ' 561' ' ' LEU . 25.7 t -120.13 121.15 65.08 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.91 0 N-CA-C 107.856 -1.164 . . . . 0.22 107.856 176.364 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 523' ' ' HIS . . . . . . . . . . . . . 43.0 t-80 -105.84 132.17 52.29 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 121.283 0.563 . . . . 0.44 110.896 -171.008 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 524' ' ' ILE . . . . . 0.468 HG23 HG12 ' A' ' 590' ' ' ILE . 32.6 mt -114.02 141.83 28.78 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.944 0 N-CA-C 108.317 -0.994 . . . . 0.19 108.317 177.731 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 525' ' ' CYS . . . . . 0.603 ' SG ' ' HB3' ' A' ' 589' ' ' LEU . 5.4 p -142.18 167.65 21.61 Favored 'General case' 0 C--N 1.314 -0.95 0 C-N-CA 120.416 -0.514 . . . . 1.17 111.583 -178.117 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 526' ' ' ASN . . . . . 0.461 ' HB2' ' O ' ' A' ' 525' ' ' CYS . 86.8 m-20 86.14 28.65 0.04 OUTLIER 'General case' 0 N--CA 1.468 0.427 0 O-C-N 124.917 1.386 . . . . 0.26 110.189 176.87 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 527' ' ' LEU . . . . . 0.426 ' HB3' ' SG ' ' A' ' 532' ' ' CYS . 81.1 mt -89.88 122.61 67.73 Favored Pre-proline 0 C--N 1.323 -0.557 0 N-CA-C 108.438 -0.949 . . . . 0.25 108.438 176.455 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 528' ' ' PRO . . . . . . . . . . . . . 11.9 Cg_exo -70.56 133.66 24.6 Favored 'Trans proline' 0 N--CA 1.456 -0.696 0 C-N-CA 121.238 1.292 . . . . 0.38 111.305 179.858 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 529' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -65.75 129.5 39.99 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 109.278 -0.638 . . . . 1.6 109.278 177.222 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 530' ' ' GLY . . . . . . . . . . . . . . . 97.17 3.03 59.01 Favored Glycine 0 N--CA 1.441 -0.973 0 C-N-CA 120.249 -0.976 . . . . 0.48 110.743 -172.46 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 531' ' ' SER . . . . . . . . . . . . . 22.7 t -146.31 7.84 1.03 Allowed 'General case' 0 N--CA 1.451 -0.409 0 CA-C-O 121.202 0.525 . . . . 1.08 109.767 -179.686 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 532' ' ' CYS . . . . . 0.495 ' HB2' ' HD2' ' A' ' 554' ' ' LYS . 59.7 m -89.0 84.2 6.6 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 108.773 -0.825 . . . . 0.25 108.773 -179.472 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 533' ' ' THR . . . . . 0.443 ' O ' HG23 ' A' ' 537' ' ' VAL . 40.8 p -95.69 151.61 19.2 Favored 'General case' 0 N--CA 1.445 -0.703 0 C-N-CA 119.888 -0.725 . . . . 0.35 109.177 -177.768 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 534' ' ' GLU . . . . . 0.556 ' HA ' HD11 ' A' ' 552' ' ' LEU . 51.8 mt-10 -66.01 -34.46 78.13 Favored 'General case' 0 C--N 1.319 -0.756 0 N-CA-C 109.019 -0.734 . . . . 1.64 109.019 176.487 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 535' ' ' ASN . . . . . . . . . . . . . 4.9 m-20 -64.82 -48.94 72.59 Favored 'General case' 0 C--O 1.212 -0.874 0 CA-C-N 114.738 -1.119 . . . . 1.82 111.735 -177.088 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 536' ' ' ASP . . . . . . . . . . . . . 25.7 m-20 -69.32 -44.66 71.28 Favored 'General case' 0 N--CA 1.475 0.808 0 CA-C-N 118.602 0.637 . . . . 0.61 111.452 -172.723 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 537' ' ' VAL . . . . . 0.443 HG23 ' O ' ' A' ' 533' ' ' THR . 38.7 t -60.49 -48.05 90.08 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-N 115.178 -0.919 . . . . 0.15 109.914 -178.731 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 538' ' ' ILE . . . . . 0.637 HD11 ' CG ' ' A' ' 550' ' ' TYR . 70.6 mt -68.99 -33.37 58.61 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.744 0 CA-C-N 115.35 -0.841 . . . . 0.23 111.659 176.371 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 539' ' ' ASN . . . . . . . . . . . . . 11.6 m120 -57.82 -27.74 63.43 Favored 'General case' 0 CA--C 1.511 -0.536 0 N-CA-C 109.932 -0.395 . . . . 0.25 109.932 176.264 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 540' ' ' LEU . . . . . 0.466 HD11 HD12 ' A' ' 588' ' ' LEU . 87.6 mt -75.37 -40.81 57.62 Favored 'General case' 0 N--CA 1.445 -0.722 0 N-CA-C 109.796 -0.446 . . . . 0.27 109.796 175.407 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 541' ' ' GLY . . . . . 0.517 ' HA2' ' SD ' ' A' ' 572' ' ' MET . . . -68.81 -53.51 19.3 Favored Glycine 0 CA--C 1.526 0.73 0 N-CA-C 115.688 1.035 . . . . 0.19 115.688 -179.713 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 542' ' ' LEU . . . . . 0.525 ' HA ' ' O ' ' A' ' 545' ' ' GLY . 40.4 mt -55.28 -45.94 99.77 Favored Pre-proline 0 N--CA 1.472 0.63 0 N-CA-C 114.97 1.47 . . . . 0.2 114.97 -168.039 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 543' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -60.7 -25.53 81.16 Favored 'Trans proline' 0 C--N 1.347 0.46 0 C-N-CA 122.207 1.938 . . . . 0.23 113.366 -178.751 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 544' ' ' PHE . . . . . 0.453 ' HB2' ' HE2' ' A' ' 572' ' ' MET . 99.2 m-85 -98.77 -15.82 19.16 Favored 'General case' 0 C--N 1.331 -0.233 0 O-C-N 122.078 -0.388 . . . . 0.33 111.378 177.54 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 545' ' ' GLY . . . . . 0.525 ' O ' ' HA ' ' A' ' 542' ' ' LEU . . . 177.34 151.67 9.34 Favored Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 120.894 -0.67 . . . . 0.44 112.028 -179.668 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 546' ' ' LYS . . . . . . . . . . . . . 39.7 ttmt -66.33 128.39 35.97 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 120.974 0.416 . . . . 2.07 110.893 -178.308 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 547' ' ' VAL . . . . . 0.614 HG21 HG23 ' A' ' 538' ' ' ILE . 69.6 t -86.8 115.37 27.56 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 CA-C-N 115.87 -0.604 . . . . 0.2 110.341 178.879 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 548' ' ' THR . . . . . . . . . . . . . 25.5 p -93.91 -35.05 12.86 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.948 -0.569 . . . . 0.31 111.492 -179.51 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 549' ' ' ASN . . . . . 0.468 HD22 ' HG ' ' A' ' 601' ' ' LEU . 17.6 m120 -143.83 153.36 42.28 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.843 -0.617 . . . . 1.26 110.109 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 550' ' ' TYR . . . . . 0.637 ' CG ' HD11 ' A' ' 538' ' ' ILE . 6.1 p90 -156.09 151.43 26.76 Favored 'General case' 0 C--N 1.317 -0.809 0 N-CA-C 109.544 -0.539 . . . . 0.31 109.544 178.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 551' ' ' ILE . . . . . 0.487 ' HB ' ' HB2' ' A' ' 560' ' ' PHE . 43.1 mt -142.64 124.32 12.38 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 N-CA-C 108.619 -0.882 . . . . 0.22 108.619 -178.382 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 552' ' ' LEU . . . . . 0.556 HD11 ' HA ' ' A' ' 534' ' ' GLU . 20.2 mt -107.58 120.76 43.11 Favored 'General case' 0 C--N 1.317 -0.841 0 C-N-CA 120.388 -0.525 . . . . 0.43 111.282 -177.055 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 553' ' ' MET . . . . . 0.606 ' HA ' " H4'" ' B' ' 5' ' ' ' U' . 72.1 mtm -111.68 81.65 1.49 Allowed 'General case' 0 C--N 1.324 -0.503 0 C-N-CA 119.831 -0.748 . . . . 1.03 109.224 176.496 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 554' ' ' LYS . . . . . 0.495 ' HD2' ' HB2' ' A' ' 532' ' ' CYS . 1.0 OUTLIER -54.07 -28.71 40.61 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.192 -0.913 . . . . 1.03 111.968 173.841 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 555' ' ' SER . . . . . . . . . . . . . 63.6 p -69.13 -42.97 75.3 Favored 'General case' 0 N--CA 1.451 -0.419 0 CA-C-O 120.842 0.353 . . . . 0.51 111.159 -173.053 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 556' ' ' THR . . . . . 0.451 ' O ' ' HG3' ' A' ' 558' ' ' GLN . 41.6 p -98.37 4.72 48.56 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.359 -0.382 . . . . 0.45 111.815 -177.352 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 557' ' ' ASN . . . . . 0.472 ' N ' HD22 ' A' ' 557' ' ' ASN . 0.9 OUTLIER 59.45 39.13 22.3 Favored 'General case' 0 N--CA 1.468 0.473 0 CA-C-O 121.534 0.683 . . . . 1.28 110.259 -177.177 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 558' ' ' GLN . . . . . 0.451 ' HG3' ' O ' ' A' ' 556' ' ' THR . 76.4 mt-30 -140.99 164.35 30.51 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.177 -0.92 . . . . 0.84 109.861 -176.063 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 559' ' ' ALA . . . . . 0.446 ' HB1' HD23 ' A' ' 552' ' ' LEU . . . -158.06 165.48 34.94 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 121.2 0.524 . . . . 0.16 111.37 -179.692 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 560' ' ' PHE . . . . . 0.487 ' HB2' ' HB ' ' A' ' 551' ' ' ILE . 90.9 m-85 -120.28 145.96 46.56 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.717 -0.674 . . . . 0.35 110.754 178.057 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 561' ' ' LEU . . . . . 0.557 ' O ' ' HB ' ' A' ' 522' ' ' VAL . 50.7 tp -137.45 118.76 14.63 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.876 -0.602 . . . . 0.2 110.314 -178.659 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 562' ' ' GLU . . . . . 0.419 ' CB ' ' HB2' ' A' ' 549' ' ' ASN . 0.1 OUTLIER -104.07 136.43 43.72 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.15 -0.477 . . . . 2.09 109.834 176.67 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 563' ' ' MET . . . . . 0.641 ' SD ' ' HA ' ' A' ' 569' ' ' ALA . 26.7 mtt -121.27 163.74 18.09 Favored 'General case' 0 C--N 1.316 -0.889 0 CA-C-N 115.61 -0.723 . . . . 0.39 109.644 -171.578 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 564' ' ' ALA . . . . . . . . . . . . . . . -63.05 -43.46 98.57 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 118.398 0.545 . . . . 0.5 111.633 -172.866 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 565' ' ' TYR . . . . . 0.411 ' CB ' ' HG2' ' A' ' 567' ' ' GLU . 99.7 m-85 -131.58 158.75 40.17 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.298 -0.41 . . . . 1.15 110.654 -178.059 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 566' ' ' THR . . . . . . . . . . . . . 8.1 t -66.71 -27.26 67.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.773 -0.648 . . . . 0.57 110.349 -178.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 567' ' ' GLU . . . . . 0.411 ' HG2' ' CB ' ' A' ' 565' ' ' TYR . 12.5 pt-20 -57.13 -32.43 66.34 Favored 'General case' 0 C--O 1.232 0.135 0 CA-C-N 115.783 -0.644 . . . . 0.89 110.965 176.233 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 568' ' ' ALA . . . . . 0.682 ' O ' ' HG3' ' A' ' 572' ' ' MET . . . -72.92 -42.77 63.16 Favored 'General case' 0 N--CA 1.45 -0.447 0 CA-C-N 116.031 -0.531 . . . . 0.26 110.029 -177.438 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 569' ' ' ALA . . . . . 0.641 ' HA ' ' SD ' ' A' ' 563' ' ' MET . . . -62.74 -46.03 89.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.937 -0.574 . . . . 0.24 111.404 -176.231 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 570' ' ' GLN . . . . . . . . . . . . . 18.0 pt20 -69.4 -35.56 75.89 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.198 -0.455 . . . . 1.24 110.679 -178.236 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 571' ' ' ALA . . . . . . . . . . . . . . . -64.95 -43.47 92.58 Favored 'General case' 0 N--CA 1.455 -0.2 0 CA-C-N 116.273 -0.422 . . . . 0.31 110.931 178.716 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 572' ' ' MET . . . . . 0.682 ' HG3' ' O ' ' A' ' 568' ' ' ALA . 29.5 mtt -67.25 -44.03 80.43 Favored 'General case' 0 CA--C 1.516 -0.337 0 CA-C-N 116.385 -0.37 . . . . 0.47 110.481 179.881 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 573' ' ' VAL . . . . . 0.562 HG23 ' O ' ' A' ' 569' ' ' ALA . 82.3 t -58.2 -47.37 87.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 N-CA-C 110.004 -0.369 . . . . 0.34 110.004 179.778 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 574' ' ' GLN . . . . . . . . . . . . . 28.4 mm-40 -61.6 -36.94 82.16 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.534 -0.303 . . . . 2.09 111.208 179.256 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 575' ' ' TYR . . . . . . . . . . . . . 72.2 t80 -68.02 -53.07 28.56 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.303 -0.408 . . . . 0.48 110.756 179.24 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 576' ' ' TYR . . . . . 0.482 ' CD2' HD12 ' A' ' 590' ' ' ILE . 97.1 m-85 -74.81 -14.29 60.68 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 112.629 0.603 . . . . 0.36 112.629 -176.139 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 577' ' ' GLN . . . . . 0.541 ' HG2' ' O ' ' A' ' 573' ' ' VAL . 15.9 mm-40 -65.76 -42.9 90.32 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 109.66 -0.496 . . . . 1.89 109.66 169.895 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 578' ' ' GLU . . . . . . . . . . . . . 24.3 mm-40 -90.89 -39.08 12.5 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.443 -0.799 . . . . 2.14 111.946 -177.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 579' ' ' LYS . . . . . . . . . . . . . 64.3 mttp -129.77 86.97 53.7 Favored Pre-proline 0 C--N 1.325 -0.473 0 CA-C-O 120.82 0.343 . . . . 2.46 110.286 178.195 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 580' ' ' PRO . . . . . . . . . . . . . 55.9 Cg_endo -70.78 161.25 46.73 Favored 'Trans proline' 0 C--O 1.235 0.341 0 C-N-CA 122.656 2.237 . . . . 0.37 112.083 179.675 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 581' ' ' ALA . . . . . . . . . . . . . . . -93.14 136.55 33.3 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 109.127 -0.694 . . . . 0.27 109.127 178.835 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 582' ' ' ILE . . . . . . . . . . . . . 55.2 mt -105.84 124.87 61.24 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.787 0 C-N-CA 120.811 -0.355 . . . . 0.51 111.177 -175.523 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 583' ' ' ILE . . . . . . . . . . . . . 28.2 mm -129.77 114.21 29.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 116.069 -0.514 . . . . 0.51 109.869 177.33 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 584' ' ' ASN . . . . . . . . . . . . . 93.6 m-20 55.24 34.73 23.38 Favored 'General case' 0 N--CA 1.468 0.444 0 CA-C-O 121.202 0.525 . . . . 1.1 111.209 -178.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 585' ' ' GLY . . . . . . . . . . . . . . . 86.59 0.56 86.19 Favored Glycine 0 N--CA 1.448 -0.553 0 CA-C-N 115.682 -0.69 . . . . 0.44 113.414 177.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 586' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -104.09 124.26 48.73 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 117.199 0.5 . . . . 1.79 110.093 178.55 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 587' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -78.64 123.65 27.34 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.097 0.475 . . . . 1.67 111.038 174.75 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 588' ' ' LEU . . . . . 0.466 HD12 HD11 ' A' ' 540' ' ' LEU . 39.8 mt -80.55 137.7 36.43 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.619 -0.719 . . . . 0.24 110.397 -177.279 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 589' ' ' LEU . . . . . 0.603 ' HB3' ' SG ' ' A' ' 525' ' ' CYS . 28.6 tp -112.83 111.81 22.85 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.955 -0.566 . . . . 0.38 110.531 -177.781 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 590' ' ' ILE . . . . . 0.482 HD12 ' CD2' ' A' ' 576' ' ' TYR . 18.9 mt -103.03 118.7 50.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 N-CA-C 110.15 -0.315 . . . . 0.26 110.15 176.375 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 591' ' ' ARG . . . . . 0.487 ' HE ' HD11 ' A' ' 589' ' ' LEU . 89.6 mtt180 -145.87 165.84 27.71 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 109.852 -0.425 . . . . 2.62 109.852 -179.472 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 592' ' ' MET . . . . . . . . . . . . . 57.4 mtt -81.0 135.93 35.93 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 109.892 -0.41 . . . . 0.34 109.892 -179.046 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 593' ' ' SER . . . . . . . . . . . . . 47.6 t -73.32 135.94 44.43 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.38 0.609 . . . . 1.37 111.171 -179.283 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 594' ' ' THR . . . . . . . . . . . . . 18.7 p -91.11 -14.26 31.53 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 114.512 -1.222 . . . . 0.38 111.518 178.004 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 595' ' ' ARG . . . . . . . . . . . . . 62.5 mtp180 -100.77 -29.9 12.01 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 112.58 0.585 . . . . 2.75 112.58 -169.167 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 596' ' ' TYR . . . . . . . . . . . . . 95.9 m-85 -128.0 147.34 50.5 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 120.908 0.385 . . . . 0.65 111.744 -177.149 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 597' ' ' LYS . . . . . 0.45 ' N ' ' HD2' ' A' ' 597' ' ' LYS . 9.8 mptt -109.65 -10.06 14.84 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.744 -0.662 . . . . 2.18 112.671 179.84 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 598' ' ' GLU . . . . . . . . . . . . . 45.9 tt0 -144.01 149.6 36.96 Favored 'General case' 0 C--N 1.329 -0.295 0 C-N-CA 120.253 -0.579 . . . . 0.95 111.156 178.37 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 599' ' ' LEU . . . . . 0.712 HD21 HG13 ' A' ' 521' ' ' VAL . 64.0 mt -110.41 126.85 54.73 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.302 -0.863 . . . . 0.45 110.934 177.093 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 600' ' ' GLN . . . . . . . . . . . . . 46.0 tt0 -113.8 137.14 52.06 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.693 -0.685 . . . . 1.52 110.222 177.091 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 601' ' ' LEU . . . . . 0.468 ' HG ' HD22 ' A' ' 549' ' ' ASN . 70.3 mt -90.24 98.14 11.6 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.201 0.524 . . . . 0.46 111.123 177.685 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 602' ' ' LYS . . . . . . . . . . . . . 93.7 mttt -81.05 -16.31 53.61 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.585 0.707 . . . . 1.73 109.198 173.794 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 603' ' ' LYS . . . . . . . . . . . . . 75.5 mmtt -121.42 131.67 24.4 Favored Pre-proline 0 C--N 1.324 -0.519 0 CA-C-N 115.009 -0.996 . . . . 1.69 109.751 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 604' ' ' PRO . . . . . . . . . . . . . 37.2 Cg_endo -66.32 151.23 83.83 Favored 'Trans proline' 0 N--CA 1.462 -0.353 0 C-N-CA 122.452 2.102 . . . . 1.21 111.712 177.035 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 605' ' ' GLY . . . . . . . . . . . . . . . -131.06 -176.68 14.51 Favored Glycine 0 N--CA 1.44 -1.044 0 C-N-CA 120.975 -0.631 . . . . 1.23 111.747 -176.217 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 606' ' ' LYS . . . . . . . . . . . . . 49.3 mtmt -91.64 158.46 16.4 Favored 'General case' 0 C--N 1.309 -1.167 0 N-CA-C 109.234 -0.654 . . . . 3.47 109.234 177.774 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 607' ' ' ASN . . . . . . . . . . . . . 4.1 m-20 -60.41 121.32 11.77 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.173 0.511 . . . . 1.33 110.608 174.186 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 608' ' ' VAL . . . . . 0.583 HG11 ' HB ' ' A' ' 547' ' ' VAL . 69.6 t -74.22 -20.54 17.44 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.796 0 CA-C-N 115.339 -0.846 . . . . 0.3 110.878 -177.31 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 609' ' ' ALA . . . . . . . . . . . . . . . -60.79 -38.04 83.97 Favored 'General case' 0 C--O 1.242 0.693 0 CA-C-O 121.301 0.572 . . . . 0.44 110.946 175.62 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 610' ' ' ALA . . . . . . . . . . . . . . . -63.28 -29.07 70.46 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.884 -0.598 . . . . 0.4 110.383 177.173 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 611' ' ' ILE . . . . . 0.441 ' CD1' HD12 ' A' ' 538' ' ' ILE . 73.7 mt -71.38 -30.1 38.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 115.902 -0.59 . . . . 0.25 109.781 179.787 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 612' ' ' ILE . . . . . 0.414 HG12 HD13 ' A' ' 542' ' ' LEU . 62.1 mt -61.28 -43.48 96.61 Favored 'Isoleucine or valine' 0 C--O 1.234 0.285 0 N-CA-C 109.799 -0.445 . . . . 0.31 109.799 172.789 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 613' ' ' GLN . . . . . . . . . . . . . 19.3 mt-30 -62.79 -34.08 76.52 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.516 0.674 . . . . 2.31 109.593 177.252 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 614' ' ' ASP . . . . . 0.406 ' HB3' ' O ' ' A' ' 611' ' ' ILE . 15.8 t70 -65.42 -45.73 82.76 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 114.646 -1.161 . . . . 1.95 110.946 -178.253 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 615' ' ' ILE . . . . . 0.475 ' CD1' ' HB2' ' A' ' 542' ' ' LEU . 85.4 mt -59.49 -47.33 91.21 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.346 -0.388 . . . . 0.35 110.684 179.359 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 616' ' ' HIS . . . . . . . . . . . . . 62.0 m-70 -65.39 -31.9 73.24 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.804 -0.635 . . . . 1.26 111.352 179.386 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 617' ' ' SER . . . . . . . . . . . . . 48.9 m -71.04 -36.5 72.37 Favored 'General case' 0 N--CA 1.452 -0.346 0 CA-C-N 116.685 -0.234 . . . . 1.18 110.419 177.688 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 618' ' ' GLN . . . . . . . . . . . . . 78.6 mt-30 72.55 -43.27 0.56 Allowed 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 123.695 0.798 . . . . 4.68 111.926 177.313 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 619' ' ' ARG . . . . . . . . . . . . . 27.3 mmm180 -81.99 126.92 32.53 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 116.238 -0.437 . . . . 7.77 110.455 179.29 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 620' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -70.27 106.98 3.53 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.161 0.505 . . . . 7.92 110.044 175.859 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 621' ' ' ARG . . . . . . . . . . . . . 21.5 mmm180 . . . . . 0 C--O 1.249 1.057 0 CA-C-O 118.362 -0.827 . . . . 11.0 110.309 -177.561 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 1' ' ' ADN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 2' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.934 0 C3'-C2'-C1' 100.158 -1.491 . 0.0 '__' . 2.99 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 3' ' ' ' C' . . . . . 0.538 " H2'" ' HD2' ' A' ' 595' ' ' ARG . . . . . . . . 0 O5'--C5' 1.426 -0.895 0 O4'-C1'-N19 109.626 1.426 . 0.0 OUTLIER . 1.58 . . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 4' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.947 0 C3'-C2'-C1' 99.739 -1.956 . 0.0 OUTLIER . 1.15 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 5' ' ' ' U' . . . . . 0.524 " O5'" ' H2 ' ' B' ' 6' ' ' ' A' . . . . . . . . 0 O5'--C5' 1.425 -0.953 0 C4'-C3'-C2' 104.126 1.426 . 0.0 OUTLIER alpha 1.33 . . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 6' ' ' ' A' . . . . . 0.524 ' H2 ' " O5'" ' B' ' 5' ' ' ' U' . . . . . . . . 0 O5'--C5' 1.426 -0.886 0 C3'-C2'-C1' 100.493 -1.119 . 0.0 OUTLIER . 4.23 . . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 510' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.694 0 N-CA-C 111.754 -0.539 . . . . 8.88 111.754 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 511' ' ' ALA . . . . . . . . . . . . . . . 73.21 -47.55 0.67 Allowed 'General case' 0 N--CA 1.47 0.552 0 C-N-CA 123.627 0.771 . . . . 6.64 112.827 175.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 512' ' ' MET . . . . . . . . . . . . . 16.1 tpt -61.43 -60.33 3.88 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.158 0.504 . . . . 6.33 110.515 -179.267 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 513' ' ' ALA . . . . . . . . . . . . . . . -104.31 113.69 27.42 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.691 -0.686 . . . . 4.2 109.329 175.635 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 514' ' ' GLN . . . . . 0.462 ' HA ' ' OE1' ' A' ' 514' ' ' GLN . 13.5 mm-40 -68.08 132.45 47.25 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 120.93 0.395 . . . . 2.88 110.672 -176.698 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 515' ' ' ARG . . . . . . . . . . . . . 79.3 mtp180 -59.92 130.53 47.22 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.526 -0.761 . . . . 4.0 111.343 -177.415 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 516' ' ' LYS . . . . . . . . . . . . . 75.0 mmtt -129.02 42.49 3.31 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.623 -0.717 . . . . 1.89 109.681 178.131 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 517' ' ' GLY . . . . . . . . . . . . . . . -114.7 -75.7 0.65 Allowed Glycine 0 N--CA 1.448 -0.506 0 C-N-CA 120.773 -0.727 . . . . 2.04 111.798 -179.412 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 518' ' ' ALA . . . . . . . . . . . . . . . -92.23 60.0 3.61 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.444 0.64 . . . . 1.75 109.811 177.851 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 519' ' ' GLY . . . . . . . . . . . . . . . 134.13 115.09 1.53 Allowed Glycine 0 N--CA 1.446 -0.697 0 N-CA-C 110.836 -0.906 . . . . 0.67 110.836 -173.756 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 520' ' ' ARG . . . . . 0.635 ' NH1' ' HA ' ' A' ' 566' ' ' THR . 19.7 mtm105 -134.87 136.92 42.78 Favored 'General case' 0 C--N 1.323 -0.561 0 C-N-CA 120.178 -0.609 . . . . 2.22 111.391 179.439 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 521' ' ' VAL . . . . . 0.807 HG13 HD21 ' A' ' 599' ' ' LEU . 72.3 t -116.08 123.93 71.84 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.837 0 CA-C-N 115.057 -0.974 . . . . 0.32 110.253 169.45 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 522' ' ' VAL . . . . . 0.453 ' HB ' ' O ' ' A' ' 561' ' ' LEU . 35.0 t -120.24 121.17 65.02 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.692 0 N-CA-C 107.803 -1.184 . . . . 0.22 107.803 174.526 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 523' ' ' HIS . . . . . . . . . . . . . 50.6 t-80 -107.89 133.49 52.18 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-O 121.085 0.469 . . . . 0.44 110.744 -171.663 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 524' ' ' ILE . . . . . 0.466 HD11 HD22 ' A' ' 561' ' ' LEU . 30.4 mt -111.44 140.46 30.75 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.914 0 N-CA-C 108.492 -0.929 . . . . 0.19 108.492 177.073 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 525' ' ' CYS . . . . . 0.474 ' O ' ' HB2' ' A' ' 526' ' ' ASN . 2.3 p -140.95 167.35 22.4 Favored 'General case' 0 C--N 1.312 -1.023 0 C-N-CA 120.453 -0.499 . . . . 1.17 111.323 -175.915 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 526' ' ' ASN . . . . . 0.474 ' HB2' ' O ' ' A' ' 525' ' ' CYS . 91.4 m-20 85.66 29.58 0.05 OUTLIER 'General case' 0 N--CA 1.467 0.384 0 O-C-N 124.922 1.389 . . . . 0.26 110.116 178.28 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 527' ' ' LEU . . . . . 0.48 ' O ' ' HB3' ' A' ' 557' ' ' ASN . 79.7 mt -91.19 122.81 65.84 Favored Pre-proline 0 C--N 1.325 -0.5 0 N-CA-C 108.706 -0.85 . . . . 0.25 108.706 177.056 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 528' ' ' PRO . . . . . . . . . . . . . 12.5 Cg_exo -68.69 135.24 32.56 Favored 'Trans proline' 0 N--CA 1.46 -0.483 0 C-N-CA 121.622 1.548 . . . . 0.38 111.623 -179.161 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 529' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -64.65 131.93 48.31 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 109.691 -0.485 . . . . 1.6 109.691 176.351 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 530' ' ' GLY . . . . . . . . . . . . . . . 89.69 2.76 75.26 Favored Glycine 0 N--CA 1.446 -0.639 0 N-CA-C 110.553 -1.019 . . . . 0.48 110.553 -173.662 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 531' ' ' SER . . . . . . . . . . . . . 20.3 m -141.27 7.06 1.96 Allowed 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.263 0.554 . . . . 1.08 109.699 -178.129 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 532' ' ' CYS . . . . . 0.4 ' HB2' ' HD2' ' A' ' 554' ' ' LYS . 70.5 m -89.07 89.45 7.97 Favored 'General case' 0 CA--C 1.515 -0.39 0 N-CA-C 108.913 -0.773 . . . . 0.25 108.913 -179.384 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 533' ' ' THR . . . . . 0.535 ' O ' HG23 ' A' ' 537' ' ' VAL . 82.0 p -102.57 149.39 24.46 Favored 'General case' 0 C--N 1.317 -0.816 0 N-CA-C 109.281 -0.636 . . . . 0.35 109.281 -179.212 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 534' ' ' GLU . . . . . 0.505 ' N ' HD11 ' A' ' 552' ' ' LEU . 39.2 mt-10 -68.56 -35.0 76.81 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 121.282 0.563 . . . . 1.64 110.028 -179.638 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 535' ' ' ASN . . . . . 0.42 ' OD1' HG23 ' A' ' 611' ' ' ILE . 66.0 t30 -64.02 -48.74 75.13 Favored 'General case' 0 C--O 1.216 -0.683 0 CA-C-N 115.2 -0.909 . . . . 1.82 111.006 -174.485 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 536' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -69.22 -40.57 77.9 Favored 'General case' 0 N--CA 1.469 0.479 0 CA-C-O 121.112 0.482 . . . . 0.61 111.275 -172.576 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 537' ' ' VAL . . . . . 0.535 HG23 ' O ' ' A' ' 533' ' ' THR . 35.9 t -61.32 -48.03 90.78 Favored 'Isoleucine or valine' 0 C--O 1.242 0.679 0 CA-C-N 115.154 -0.93 . . . . 0.15 109.836 179.791 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 538' ' ' ILE . . . . . 0.671 HD11 ' CG ' ' A' ' 550' ' ' TYR . 64.0 mt -68.16 -33.94 63.7 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.716 0 CA-C-N 115.273 -0.876 . . . . 0.23 111.367 176.313 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 539' ' ' ASN . . . . . 0.536 ' HA ' HD11 ' A' ' 615' ' ' ILE . 11.6 m120 -58.53 -26.05 63.1 Favored 'General case' 0 CA--C 1.515 -0.376 0 CA-C-O 120.637 0.256 . . . . 0.25 110.375 176.571 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 540' ' ' LEU . . . . . 0.534 HD11 HD12 ' A' ' 588' ' ' LEU . 85.4 mt -74.83 -42.5 57.88 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 109.59 -0.522 . . . . 0.27 109.59 173.237 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 541' ' ' GLY . . . . . 0.465 ' CA ' HD21 ' A' ' 561' ' ' LEU . . . -66.53 -52.76 32.52 Favored Glycine 0 CA--C 1.525 0.663 0 N-CA-C 115.817 1.087 . . . . 0.19 115.817 -178.579 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 542' ' ' LEU . . . . . 0.513 ' HA ' ' O ' ' A' ' 545' ' ' GLY . 41.1 mt -57.67 -48.29 97.47 Favored Pre-proline 0 C--N 1.323 -0.577 0 N-CA-C 114.969 1.47 . . . . 0.2 114.969 -167.901 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 543' ' ' PRO . . . . . 0.434 ' HG3' HG21 ' A' ' 615' ' ' ILE . 51.2 Cg_exo -59.41 -24.08 73.13 Favored 'Trans proline' 0 C--N 1.346 0.405 0 C-N-CA 122.266 1.977 . . . . 0.23 113.587 -176.449 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 544' ' ' PHE . . . . . 0.483 ' HB2' ' HE2' ' A' ' 572' ' ' MET . 95.3 m-85 -100.51 -15.81 17.74 Favored 'General case' 0 C--N 1.331 -0.218 0 C-N-CA 120.845 -0.342 . . . . 0.33 111.265 177.169 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 545' ' ' GLY . . . . . 0.513 ' O ' ' HA ' ' A' ' 542' ' ' LEU . . . 177.31 156.06 15.19 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.709 -0.758 . . . . 0.44 112.318 179.202 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 546' ' ' LYS . . . . . . . . . . . . . 28.1 tptp -66.3 128.13 34.96 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.471 0.653 . . . . 2.07 111.395 -177.24 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 547' ' ' VAL . . . . . 0.576 ' HB ' HG11 ' A' ' 608' ' ' VAL . 70.3 t -89.13 116.23 30.28 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-N 114.965 -1.016 . . . . 0.2 109.925 177.115 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 548' ' ' THR . . . . . . . . . . . . . 22.7 p -94.87 -36.03 11.8 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.037 -0.528 . . . . 0.31 111.724 179.741 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 549' ' ' ASN . . . . . . . . . . . . . 92.1 m-20 -143.29 160.96 39.53 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.217 -0.447 . . . . 1.26 110.558 179.462 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 550' ' ' TYR . . . . . 0.671 ' CG ' HD11 ' A' ' 538' ' ' ILE . 3.3 p90 -161.41 151.72 17.52 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.502 -0.772 . . . . 0.31 109.582 -179.269 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 551' ' ' ILE . . . . . 0.5 ' HB ' ' HB2' ' A' ' 560' ' ' PHE . 50.0 mt -144.28 127.46 11.9 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 N-CA-C 108.289 -1.004 . . . . 0.22 108.289 -176.882 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 552' ' ' LEU . . . . . 0.505 HD11 ' N ' ' A' ' 534' ' ' GLU . 26.7 mt -106.73 119.71 40.06 Favored 'General case' 0 C--N 1.313 -0.998 0 C-N-CA 119.926 -0.71 . . . . 0.43 110.394 179.852 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 553' ' ' MET . . . . . 0.495 ' HA ' " H4'" ' B' ' 5' ' ' ' U' . 30.7 mtp -101.95 80.44 2.0 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 108.253 -1.017 . . . . 1.03 108.253 -178.7 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 554' ' ' LYS . . . . . 0.487 ' HB2' " C5'" ' B' ' 6' ' ' ' A' . 26.4 mmtp -53.93 -29.56 42.87 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 114.632 -1.167 . . . . 1.03 113.3 178.318 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 555' ' ' SER . . . . . 0.403 ' HB3' ' C4 ' ' B' ' 6' ' ' ' A' . 63.4 p -70.02 -45.08 67.96 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 120.693 0.282 . . . . 0.51 111.758 -174.05 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 556' ' ' THR . . . . . . . . . . . . . 42.6 p -100.27 7.95 44.07 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 112.711 0.634 . . . . 0.45 112.711 -174.753 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 557' ' ' ASN . . . . . 0.48 ' HB3' ' O ' ' A' ' 527' ' ' LEU . 34.6 m-80 59.92 39.59 20.07 Favored 'General case' 0 N--CA 1.468 0.46 0 CA-C-O 121.523 0.678 . . . . 1.28 109.936 -177.575 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 558' ' ' GLN . . . . . . . . . . . . . 76.6 mt-30 -135.83 168.29 19.58 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.344 -0.844 . . . . 0.84 109.908 -175.332 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 559' ' ' ALA . . . . . . . . . . . . . . . -158.66 165.63 33.96 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.19 0.519 . . . . 0.16 111.709 179.187 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 560' ' ' PHE . . . . . 0.5 ' HB2' ' HB ' ' A' ' 551' ' ' ILE . 88.1 m-85 -119.93 144.33 47.5 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.975 -0.557 . . . . 0.35 110.707 176.548 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 561' ' ' LEU . . . . . 0.466 HD22 HD11 ' A' ' 524' ' ' ILE . 56.1 tp -132.62 118.8 19.62 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.709 -0.678 . . . . 0.2 109.955 179.415 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 562' ' ' GLU . . . . . 0.483 ' HB2' HD12 ' A' ' 599' ' ' LEU . 26.5 tt0 -101.0 124.32 46.54 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.428 0.632 . . . . 2.09 110.391 179.353 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 563' ' ' MET . . . . . 0.58 ' HB2' ' NH2' ' A' ' 520' ' ' ARG . 20.9 mtt -110.73 154.62 23.64 Favored 'General case' 0 C--N 1.317 -0.83 0 CA-C-N 115.074 -0.966 . . . . 0.39 108.762 -177.855 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 564' ' ' ALA . . . . . . . . . . . . . . . -73.21 -25.43 60.76 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 123.217 0.323 . . . . 0.5 111.768 -170.708 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 565' ' ' TYR . . . . . . . . . . . . . 68.2 m-85 -139.23 149.34 44.23 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.017 0.437 . . . . 1.15 110.437 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 566' ' ' THR . . . . . 0.635 ' HA ' ' NH1' ' A' ' 520' ' ' ARG . 2.2 t -67.88 -26.35 65.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.632 -0.713 . . . . 0.57 110.497 -177.672 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 567' ' ' GLU . . . . . 0.593 ' HA ' HE21 ' A' ' 570' ' ' GLN . 13.1 pt-20 -56.0 -32.64 64.13 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 115.75 -0.659 . . . . 0.89 111.128 177.518 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 568' ' ' ALA . . . . . 0.685 ' O ' ' HG3' ' A' ' 572' ' ' MET . . . -73.26 -40.81 64.31 Favored 'General case' 0 N--CA 1.45 -0.436 0 CA-C-N 116.294 -0.412 . . . . 0.26 110.798 -176.202 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 569' ' ' ALA . . . . . 0.548 ' CB ' HH12 ' A' ' 520' ' ' ARG . . . -65.55 -44.95 85.22 Favored 'General case' 0 CA--C 1.516 -0.36 0 CA-C-N 116.319 -0.401 . . . . 0.24 111.731 -174.43 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 570' ' ' GLN . . . . . 0.593 HE21 ' HA ' ' A' ' 567' ' ' GLU . 15.7 pt20 -66.97 -35.4 79.88 Favored 'General case' 0 C--N 1.326 -0.421 0 C-N-CA 120.834 -0.346 . . . . 1.24 110.165 -179.176 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 571' ' ' ALA . . . . . . . . . . . . . . . -64.16 -44.05 93.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.118 -0.492 . . . . 0.31 110.758 176.562 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 572' ' ' MET . . . . . 0.685 ' HG3' ' O ' ' A' ' 568' ' ' ALA . 31.7 mtt -66.38 -45.8 78.85 Favored 'General case' 0 CA--C 1.521 -0.155 0 CA-C-N 116.362 -0.381 . . . . 0.47 110.806 179.877 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 573' ' ' VAL . . . . . 0.505 HG23 ' O ' ' A' ' 569' ' ' ALA . 89.8 t -58.54 -46.69 89.79 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.182 0 N-CA-C 110.301 -0.259 . . . . 0.34 110.301 -178.635 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 574' ' ' GLN . . . . . . . . . . . . . 27.9 mt-30 -60.93 -37.98 84.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.031 0.443 . . . . 2.09 110.751 178.584 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 575' ' ' TYR . . . . . . . . . . . . . 92.7 t80 -69.03 -52.86 24.22 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.757 -0.656 . . . . 0.48 110.851 -178.78 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 576' ' ' TYR . . . . . 0.519 ' CD2' HD12 ' A' ' 590' ' ' ILE . 84.1 m-85 -75.2 -13.48 60.46 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 113.024 0.75 . . . . 0.36 113.024 -175.527 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 577' ' ' GLN . . . . . 0.452 ' HA ' ' OE1' ' A' ' 577' ' ' GLN . 13.9 mm-40 -74.07 -41.96 60.92 Favored 'General case' 0 C--N 1.321 -0.634 0 C-N-CA 120.288 -0.565 . . . . 1.89 109.836 171.601 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 578' ' ' GLU . . . . . . . . . . . . . 40.3 mm-40 -84.53 -39.3 18.97 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.325 -0.398 . . . . 2.14 110.731 178.879 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 579' ' ' LYS . . . . . 0.494 ' O ' ' HA ' ' A' ' 576' ' ' TYR . 54.6 mtpt -130.85 91.28 37.35 Favored Pre-proline 0 C--O 1.234 0.289 0 C-N-CA 122.732 0.413 . . . . 2.46 110.324 176.697 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 580' ' ' PRO . . . . . 0.447 ' HB2' ' HB3' ' A' ' 587' ' ' LYS . 57.7 Cg_endo -71.38 162.04 43.66 Favored 'Trans proline' 0 C--O 1.237 0.441 0 C-N-CA 122.667 2.245 . . . . 0.37 112.383 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 581' ' ' ALA . . . . . 0.417 ' O ' ' HG ' ' A' ' 588' ' ' LEU . . . -92.25 135.11 34.27 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 109.567 -0.531 . . . . 0.27 109.567 178.842 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 582' ' ' ILE . . . . . . . . . . . . . 37.9 mt -98.28 124.04 51.15 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 CA-C-O 120.72 0.295 . . . . 0.51 111.137 -175.63 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 583' ' ' ILE . . . . . 0.401 ' CG1' HD11 ' A' ' 588' ' ' LEU . 30.4 mm -130.65 112.54 22.81 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 N-CA-C 109.802 -0.444 . . . . 0.51 109.802 174.158 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 584' ' ' ASN . . . . . 0.524 HD22 ' N ' ' A' ' 584' ' ' ASN . 0.8 OUTLIER 57.79 33.53 23.33 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-N 115.867 -0.606 . . . . 1.1 110.731 177.585 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 585' ' ' GLY . . . . . . . . . . . . . . . 86.15 5.5 82.91 Favored Glycine 0 N--CA 1.444 -0.773 0 CA-C-N 115.415 -0.812 . . . . 0.44 113.82 177.374 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 586' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -113.73 127.75 56.15 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 117.6 0.7 . . . . 1.79 111.093 176.853 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 587' ' ' LYS . . . . . 0.447 ' HB3' ' HB2' ' A' ' 580' ' ' PRO . 40.7 mmtm -73.56 126.96 31.45 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.965 -0.561 . . . . 1.67 110.911 176.627 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 588' ' ' LEU . . . . . 0.534 HD12 HD11 ' A' ' 540' ' ' LEU . 40.0 mt -82.89 139.86 33.19 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.896 0.379 . . . . 0.24 111.173 -179.153 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 589' ' ' LEU . . . . . . . . . . . . . 65.0 tp -113.62 114.19 26.1 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.711 -0.677 . . . . 0.38 110.853 -179.828 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 590' ' ' ILE . . . . . 0.519 HD12 ' CD2' ' A' ' 576' ' ' TYR . 24.9 mt -100.19 128.6 51.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 N-CA-C 110.231 -0.285 . . . . 0.26 110.231 175.886 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 591' ' ' ARG . . . . . . . . . . . . . 80.5 mtp180 -146.36 159.12 43.79 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.404 -0.362 . . . . 2.62 110.629 -176.898 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 592' ' ' MET . . . . . . . . . . . . . 49.7 mtt -83.24 129.28 35.0 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 109.912 -0.403 . . . . 0.34 109.912 176.025 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 593' ' ' SER . . . . . . . . . . . . . 46.3 t -65.24 129.81 41.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.359 0.6 . . . . 1.37 111.651 -177.048 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 594' ' ' THR . . . . . . . . . . . . . 17.0 p -90.09 -11.74 40.44 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-N 114.711 -1.131 . . . . 0.38 111.712 178.738 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 595' ' ' ARG . . . . . 0.538 ' HD2' " H2'" ' B' ' 3' ' ' ' C' . 99.4 mtt180 -104.4 -30.81 9.84 Favored 'General case' 0 CA--C 1.531 0.241 0 N-CA-C 113.172 0.805 . . . . 2.75 113.172 -173.915 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 596' ' ' TYR . . . . . . . . . . . . . 65.1 m-85 -120.27 146.43 46.09 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 112.433 0.531 . . . . 0.65 112.433 -174.875 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 597' ' ' LYS . . . . . 0.523 ' N ' ' HD2' ' A' ' 597' ' ' LYS . 0.1 OUTLIER -109.82 -8.31 14.92 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.352 -0.84 . . . . 2.18 111.979 -178.721 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 598' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 -144.07 151.46 39.67 Favored 'General case' 0 C--N 1.328 -0.351 0 C-N-CA 120.599 -0.44 . . . . 0.95 111.556 -177.515 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 599' ' ' LEU . . . . . 0.807 HD21 HG13 ' A' ' 521' ' ' VAL . 72.1 mt -114.43 122.59 47.1 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.597 -0.728 . . . . 0.45 110.893 175.689 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 600' ' ' GLN . . . . . . . . . . . . . 29.3 tt0 -114.27 123.81 50.46 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.761 -0.654 . . . . 1.52 110.394 178.032 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 601' ' ' LEU . . . . . . . . . . . . . 40.2 mt -78.2 93.63 4.62 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.917 0.389 . . . . 0.46 111.084 179.763 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 602' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -70.74 -23.46 62.43 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.389 0.614 . . . . 1.73 109.885 174.787 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 603' ' ' LYS . . . . . . . . . . . . . 35.2 mmtp -115.72 142.18 28.58 Favored Pre-proline 0 C--N 1.323 -0.569 0 CA-C-N 115.313 -0.858 . . . . 1.69 109.363 177.479 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 604' ' ' PRO . . . . . . . . . . . . . 44.0 Cg_endo -68.68 156.33 65.88 Favored 'Trans proline' 0 N--CA 1.464 -0.219 0 C-N-CA 122.412 2.075 . . . . 1.21 111.404 177.531 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 605' ' ' GLY . . . . . . . . . . . . . . . -131.71 147.92 18.82 Favored Glycine 0 N--CA 1.438 -1.227 0 C-N-CA 120.518 -0.849 . . . . 1.23 112.446 -176.065 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 606' ' ' LYS . . . . . . . . . . . . . 47.2 mtmt -68.98 159.26 33.11 Favored 'General case' 0 C--N 1.319 -0.726 0 N-CA-C 109.695 -0.483 . . . . 3.47 109.695 175.057 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 607' ' ' ASN . . . . . 0.418 HD21 ' HB3' ' A' ' 609' ' ' ALA . 37.6 t30 -60.41 121.98 13.43 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.893 0.378 . . . . 1.33 111.016 178.101 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 608' ' ' VAL . . . . . 0.576 HG11 ' HB ' ' A' ' 547' ' ' VAL . 96.5 t -77.47 -21.74 14.15 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-N 115.77 -0.65 . . . . 0.3 111.158 -176.295 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 609' ' ' ALA . . . . . 0.418 ' HB3' HD21 ' A' ' 607' ' ' ASN . . . -61.41 -32.54 72.48 Favored 'General case' 0 C--O 1.236 0.392 0 CA-C-O 121.202 0.525 . . . . 0.44 110.859 175.809 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 610' ' ' ALA . . . . . . . . . . . . . . . -64.83 -29.71 70.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.835 -0.62 . . . . 0.4 110.188 176.067 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 611' ' ' ILE . . . . . 0.42 HG23 ' OD1' ' A' ' 535' ' ' ASN . 76.7 mt -71.5 -30.65 39.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 115.371 -0.831 . . . . 0.25 110.018 179.044 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 612' ' ' ILE . . . . . . . . . . . . . 71.2 mt -60.98 -43.61 96.39 Favored 'Isoleucine or valine' 0 C--O 1.235 0.317 0 CA-C-O 121.168 0.508 . . . . 0.31 109.952 172.743 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 613' ' ' GLN . . . . . . . . . . . . . 11.6 mm100 -63.46 -30.3 71.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.491 -0.777 . . . . 2.31 109.872 177.159 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 614' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -71.38 -46.14 61.08 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 114.868 -1.06 . . . . 1.95 110.718 -178.251 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 615' ' ' ILE . . . . . 0.536 HD11 ' HA ' ' A' ' 539' ' ' ASN . 88.0 mt -61.01 -47.18 94.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.061 -0.518 . . . . 0.35 110.74 179.365 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 616' ' ' HIS . . . . . . . . . . . . . 40.9 m170 -64.56 -38.05 89.66 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.45 -0.795 . . . . 1.26 111.779 -177.595 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 617' ' ' SER . . . . . 0.431 ' HB2' ' CB ' ' A' ' 620' ' ' GLU . 20.9 p -75.25 -34.79 61.43 Favored 'General case' 0 C--N 1.325 -0.47 0 C-N-CA 120.936 -0.306 . . . . 1.18 111.24 -178.803 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 618' ' ' GLN . . . . . . . . . . . . . 77.4 mt-30 66.87 -83.33 0.03 OUTLIER 'General case' 0 N--CA 1.468 0.431 0 C-N-CA 123.353 0.661 . . . . 4.68 112.222 174.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 619' ' ' ARG . . . . . . . . . . . . . 96.4 mtt180 -92.87 34.33 1.1 Allowed 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.256 0.55 . . . . 7.77 110.825 -173.856 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 620' ' ' GLU . . . . . 0.431 ' CB ' ' HB2' ' A' ' 617' ' ' SER . 29.0 tt0 -114.85 63.11 0.67 Allowed 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 108.665 -0.865 . . . . 7.92 108.665 178.487 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 621' ' ' ARG . . . . . . . . . . . . . 9.3 tpp180 . . . . . 0 C--O 1.246 0.872 0 CA-C-N 115.004 -0.998 . . . . 11.0 110.858 -173.389 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 1' ' ' ADN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 2' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.906 0 N19-C1'-C2' 114.662 0.789 . 0.0 '__' . 2.99 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 3' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.926 0 O4'-C1'-N19 109.172 0.972 . 0.0 OUTLIER . 1.58 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 4' ' ' ' U' . . . . . 0.466 ' O4 ' ' HA ' ' A' ' 599' ' ' LEU . . . . . . . . 0 O5'--C5' 1.428 -0.772 0 C3'-C2'-C1' 100.667 -0.925 . 0.0 OUTLIER gamma 1.15 . . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 5' ' ' ' U' . . . . . 0.771 " H4'" ' HA ' ' A' ' 553' ' ' MET . . . . . . . . 0 O5'--C5' 1.424 -0.997 0 C4'-C3'-C2' 104.243 1.543 . 0.0 OUTLIER gamma 1.33 . . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 6' ' ' ' A' . . . . . 0.567 " H5'" " O2'" ' B' ' 5' ' ' ' U' . . . . . . . . 0 O5'--C5' 1.425 -0.912 0 C3'-C2'-C1' 99.923 -1.753 . 0.031 2[ . 4.23 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 510' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.709 0 N-CA-C 111.773 -0.531 . . . . 8.88 111.773 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 511' ' ' ALA . . . . . . . . . . . . . . . -93.75 110.5 22.13 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.721 0.296 . . . . 6.64 110.903 -179.106 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 512' ' ' MET . . . . . . . . . . . . . 40.0 tpp -78.47 -41.98 31.08 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.379 0.609 . . . . 6.33 109.59 176.185 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 513' ' ' ALA . . . . . . . . . . . . . . . -100.17 169.2 9.32 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.439 -0.8 . . . . 4.2 109.287 173.922 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 514' ' ' GLN . . . . . . . . . . . . . 15.2 mm100 63.35 102.14 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.31 0 CA-C-O 121.554 0.692 . . . . 2.88 110.799 -176.69 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 515' ' ' ARG . . . . . . . . . . . . . 90.0 mtt180 -88.96 -63.86 1.23 Allowed 'General case' 0 C--N 1.316 -0.882 0 CA-C-N 115.473 -0.785 . . . . 4.0 110.151 -176.653 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 516' ' ' LYS . . . . . . . . . . . . . 39.4 mmtm 55.9 49.99 14.86 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-N 116.038 -0.528 . . . . 1.89 111.444 176.059 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 517' ' ' GLY . . . . . . . . . . . . . . . -109.44 -79.42 1.1 Allowed Glycine 0 N--CA 1.448 -0.514 0 N-CA-C 111.127 -0.789 . . . . 2.04 111.127 175.825 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 518' ' ' ALA . . . . . . . . . . . . . . . -88.19 92.26 9.09 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 108.937 -0.764 . . . . 1.75 108.937 173.099 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 519' ' ' GLY . . . . . . . . . . . . . . . 105.93 99.16 2.59 Favored Glycine 0 N--CA 1.445 -0.715 0 N-CA-C 110.144 -1.182 . . . . 0.67 110.144 -170.322 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 520' ' ' ARG . . . . . . . . . . . . . 45.8 mtm-85 -119.93 132.81 55.64 Favored 'General case' 0 C--N 1.323 -0.579 0 C-N-CA 119.975 -0.69 . . . . 2.22 111.105 -179.039 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 521' ' ' VAL . . . . . 0.832 HG13 HD21 ' A' ' 599' ' ' LEU . 84.0 t -118.26 123.18 71.22 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.71 0 CA-C-N 115.27 -0.877 . . . . 0.32 110.509 170.135 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 522' ' ' VAL . . . . . 0.578 ' HB ' ' O ' ' A' ' 561' ' ' LEU . 24.5 t -120.03 121.87 67.01 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.924 0 N-CA-C 107.9 -1.148 . . . . 0.22 107.9 174.525 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 523' ' ' HIS . . . . . . . . . . . . . 39.8 t-80 -105.75 131.02 53.61 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-O 121.152 0.501 . . . . 0.44 110.276 -174.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 524' ' ' ILE . . . . . 0.477 HD11 HD22 ' A' ' 561' ' ' LEU . 40.3 mt -110.38 138.88 36.32 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.039 0 N-CA-C 108.372 -0.973 . . . . 0.19 108.372 178.405 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 525' ' ' CYS . . . . . 0.462 ' O ' ' HB2' ' A' ' 526' ' ' ASN . 3.8 p -138.24 163.54 31.48 Favored 'General case' 0 C--N 1.31 -1.115 0 C-N-CA 120.638 -0.425 . . . . 1.17 111.419 -175.709 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 526' ' ' ASN . . . . . 0.462 ' HB2' ' O ' ' A' ' 525' ' ' CYS . 90.4 m-20 83.45 27.08 0.1 Allowed 'General case' 0 CA--C 1.516 -0.341 0 O-C-N 124.766 1.292 . . . . 0.26 110.561 175.813 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 527' ' ' LEU . . . . . 0.549 HD23 HD22 ' A' ' 588' ' ' LEU . 90.3 mt -82.14 125.32 77.36 Favored Pre-proline 0 C--N 1.325 -0.465 0 N-CA-C 108.352 -0.981 . . . . 0.25 108.352 176.684 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 528' ' ' PRO . . . . . 0.444 ' HB3' ' OE2' ' A' ' 586' ' ' GLU . 37.3 Cg_endo -74.85 134.59 18.28 Favored 'Trans proline' 0 N--CA 1.457 -0.675 0 C-N-CA 121.324 1.35 . . . . 0.38 112.469 -179.09 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 529' ' ' GLU . . . . . . . . . . . . . 7.7 tp10 -65.14 139.68 58.71 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.629 -0.714 . . . . 1.6 109.525 175.826 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 530' ' ' GLY . . . . . . . . . . . . . . . 91.13 4.3 68.98 Favored Glycine 0 N--CA 1.443 -0.892 0 N-CA-C 110.806 -0.918 . . . . 0.48 110.806 -173.21 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 531' ' ' SER . . . . . 0.411 ' HB3' ' HG2' ' A' ' 528' ' ' PRO . 39.3 t -156.48 9.05 0.22 Allowed 'General case' 0 N--CA 1.449 -0.51 0 CA-C-O 120.867 0.365 . . . . 1.08 110.467 -174.012 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 532' ' ' CYS . . . . . . . . . . . . . 74.8 m -89.25 81.2 6.73 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 109.229 -0.656 . . . . 0.25 109.229 178.658 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 533' ' ' THR . . . . . 0.45 ' O ' HG23 ' A' ' 537' ' ' VAL . 27.2 p -104.15 153.7 20.63 Favored 'General case' 0 N--CA 1.445 -0.685 0 C-N-CA 119.575 -0.85 . . . . 0.35 109.228 -178.5 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 534' ' ' GLU . . . . . 0.813 ' HA ' HD11 ' A' ' 552' ' ' LEU . 20.7 mp0 -63.27 -32.62 74.08 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-O 121.259 0.552 . . . . 1.64 109.756 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 535' ' ' ASN . . . . . . . . . . . . . 63.6 t30 -62.67 -48.88 77.38 Favored 'General case' 0 C--O 1.216 -0.663 0 CA-C-N 115.177 -0.92 . . . . 1.82 111.133 -178.205 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 536' ' ' ASP . . . . . . . . . . . . . 65.2 m-20 -68.86 -46.11 69.33 Favored 'General case' 0 N--CA 1.472 0.66 0 CA-C-O 121.648 0.737 . . . . 0.61 110.77 -171.588 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 537' ' ' VAL . . . . . 0.45 HG23 ' O ' ' A' ' 533' ' ' THR . 26.6 t -60.18 -48.41 88.19 Favored 'Isoleucine or valine' 0 C--O 1.241 0.644 0 CA-C-N 114.339 -1.301 . . . . 0.15 109.888 -177.298 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 538' ' ' ILE . . . . . 0.598 HD11 ' CG ' ' A' ' 550' ' ' TYR . 59.2 mt -69.33 -34.19 61.44 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.764 0 CA-C-N 115.274 -0.876 . . . . 0.23 111.917 177.107 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 539' ' ' ASN . . . . . 0.517 ' HA ' HD11 ' A' ' 615' ' ' ILE . 10.2 m120 -59.02 -26.48 64.59 Favored 'General case' 0 CA--C 1.515 -0.403 0 O-C-N 122.227 -0.296 . . . . 0.25 110.641 177.601 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 540' ' ' LEU . . . . . 0.484 HD11 HD12 ' A' ' 588' ' ' LEU . 89.0 mt -75.67 -42.17 51.99 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 109.719 -0.474 . . . . 0.27 109.719 172.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 541' ' ' GLY . . . . . 0.532 ' HA3' HD21 ' A' ' 561' ' ' LEU . . . -63.96 -52.07 48.02 Favored Glycine 0 CA--C 1.523 0.547 0 N-CA-C 115.36 0.904 . . . . 0.19 115.36 -179.665 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 542' ' ' LEU . . . . . 0.439 HD23 ' H ' ' A' ' 547' ' ' VAL . 74.7 mt -56.15 -45.38 99.92 Favored Pre-proline 0 C--N 1.322 -0.608 0 N-CA-C 114.917 1.451 . . . . 0.2 114.917 -168.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 543' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_exo -60.23 -26.99 83.97 Favored 'Trans proline' 0 C--N 1.347 0.463 0 C-N-CA 122.067 1.845 . . . . 0.23 113.676 -178.129 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 544' ' ' PHE . . . . . 0.494 ' HB2' ' HE2' ' A' ' 572' ' ' MET . 90.6 m-85 -100.81 -7.22 23.83 Favored 'General case' 0 C--N 1.33 -0.269 0 C-N-CA 120.866 -0.334 . . . . 0.33 111.239 179.67 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 545' ' ' GLY . . . . . 0.412 ' O ' ' HA ' ' A' ' 542' ' ' LEU . . . 168.86 151.55 7.26 Favored Glycine 0 N--CA 1.449 -0.463 0 C-N-CA 120.554 -0.832 . . . . 0.44 112.24 -179.374 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 546' ' ' LYS . . . . . . . . . . . . . 37.0 ttpt -66.13 128.78 37.44 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.033 0.444 . . . . 2.07 111.15 -178.119 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 547' ' ' VAL . . . . . 0.582 ' HB ' HG11 ' A' ' 608' ' ' VAL . 72.3 t -88.33 115.68 28.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-N 115.445 -0.798 . . . . 0.2 110.4 177.447 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 548' ' ' THR . . . . . . . . . . . . . 20.5 p -95.2 -36.75 11.33 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.213 -0.448 . . . . 0.31 111.944 179.337 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 549' ' ' ASN . . . . . 0.457 ' HB2' ' HB3' ' A' ' 562' ' ' GLU . 7.3 m-20 -141.09 153.94 45.69 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 109.372 -0.603 . . . . 1.26 109.372 -177.778 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 550' ' ' TYR . . . . . 0.598 ' CG ' HD11 ' A' ' 538' ' ' ILE . 3.3 p90 -159.44 151.99 21.4 Favored 'General case' 0 C--N 1.318 -0.782 0 N-CA-C 109.743 -0.465 . . . . 0.31 109.743 179.583 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 551' ' ' ILE . . . . . 0.655 HG23 ' N3 ' ' B' ' 5' ' ' ' U' . 55.4 mt -143.23 121.65 7.33 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 N-CA-C 107.844 -1.169 . . . . 0.22 107.844 -179.217 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 552' ' ' LEU . . . . . 0.813 HD11 ' HA ' ' A' ' 534' ' ' GLU . 20.6 mt -109.97 126.64 54.14 Favored 'General case' 0 C--N 1.315 -0.92 0 C-N-CA 119.273 -0.971 . . . . 0.43 110.152 -179.768 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 553' ' ' MET . . . . . 0.771 ' HA ' " H4'" ' B' ' 5' ' ' ' U' . 62.8 mtm -109.29 83.89 1.83 Allowed 'General case' 0 C--N 1.318 -0.763 0 N-CA-C 108.853 -0.795 . . . . 1.03 108.853 -179.615 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 554' ' ' LYS . . . . . 0.418 ' HG2' ' H ' ' A' ' 554' ' ' LYS . 21.9 mmtp -53.12 -28.04 23.78 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 114.807 -1.088 . . . . 1.03 112.314 176.277 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 555' ' ' SER . . . . . . . . . . . . . 66.2 p -69.21 -44.35 72.27 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.963 0.411 . . . . 0.51 111.415 -175.316 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 556' ' ' THR . . . . . . . . . . . . . 41.1 p -99.05 2.61 46.32 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.378 -0.373 . . . . 0.45 111.829 -176.462 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 557' ' ' ASN . . . . . 0.478 ' HB3' ' O ' ' A' ' 527' ' ' LEU . 3.4 m-20 57.88 38.51 27.11 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-O 121.796 0.807 . . . . 1.28 110.304 -177.783 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 558' ' ' GLN . . . . . 0.41 ' HB2' ' HE3' ' A' ' 553' ' ' MET . 79.8 mt-30 -139.12 164.47 29.7 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 114.848 -1.069 . . . . 0.84 108.717 -178.045 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 559' ' ' ALA . . . . . . . . . . . . . . . -157.74 166.51 32.57 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 121.235 0.541 . . . . 0.16 112.331 -174.741 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 560' ' ' PHE . . . . . 0.455 ' HB2' ' HB ' ' A' ' 551' ' ' ILE . 92.8 m-85 -122.12 146.65 47.02 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.494 -0.776 . . . . 0.35 110.923 176.208 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 561' ' ' LEU . . . . . 0.578 ' O ' ' HB ' ' A' ' 522' ' ' VAL . 50.4 tp -137.37 120.15 16.3 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.572 -0.74 . . . . 0.2 110.1 -178.249 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 562' ' ' GLU . . . . . 0.481 ' HB2' HD12 ' A' ' 599' ' ' LEU . 29.2 tt0 -99.72 129.83 45.88 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.442 0.639 . . . . 2.09 110.386 177.862 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 563' ' ' MET . . . . . 0.636 ' SD ' ' HA ' ' A' ' 569' ' ' ALA . 27.7 mtt -115.95 155.92 27.16 Favored 'General case' 0 C--N 1.316 -0.88 0 CA-C-N 114.999 -1.001 . . . . 0.39 109.399 -176.276 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 564' ' ' ALA . . . . . . . . . . . . . . . -72.85 -18.71 61.42 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 112.394 0.516 . . . . 0.5 112.394 -170.002 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 565' ' ' TYR . . . . . 0.448 ' CB ' ' HG2' ' A' ' 567' ' ' GLU . 95.8 m-85 -145.21 155.91 43.54 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.68 0.276 . . . . 1.15 110.478 -179.534 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 566' ' ' THR . . . . . . . . . . . . . 3.9 t -68.06 -27.82 66.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.985 -0.552 . . . . 0.57 109.804 179.521 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 567' ' ' GLU . . . . . 0.448 ' HG2' ' CB ' ' A' ' 565' ' ' TYR . 12.8 pt-20 -59.51 -32.71 70.54 Favored 'General case' 0 C--O 1.231 0.096 0 CA-C-N 115.523 -0.762 . . . . 0.89 110.895 176.827 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 568' ' ' ALA . . . . . 0.658 ' O ' ' HG3' ' A' ' 572' ' ' MET . . . -73.06 -40.91 64.67 Favored 'General case' 0 N--CA 1.45 -0.425 0 CA-C-N 115.936 -0.575 . . . . 0.26 109.85 -177.729 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 569' ' ' ALA . . . . . 0.636 ' HA ' ' SD ' ' A' ' 563' ' ' MET . . . -64.9 -45.77 84.52 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.662 -0.699 . . . . 0.24 111.066 -177.517 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 570' ' ' GLN . . . . . . . . . . . . . 20.5 pt20 -68.9 -36.68 78.32 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.036 -0.529 . . . . 1.24 110.575 -179.066 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 571' ' ' ALA . . . . . . . . . . . . . . . -63.89 -45.9 87.29 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-N 116.498 -0.319 . . . . 0.31 111.271 -178.549 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 572' ' ' MET . . . . . 0.658 ' HG3' ' O ' ' A' ' 568' ' ' ALA . 29.2 mtt -67.4 -43.36 81.49 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.523 -0.308 . . . . 0.47 110.682 -177.88 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 573' ' ' VAL . . . . . 0.588 ' O ' ' HG3' ' A' ' 577' ' ' GLN . 97.8 t -59.61 -48.04 88.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-O 120.679 0.276 . . . . 0.34 110.283 179.074 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 574' ' ' GLN . . . . . . . . . . . . . 84.5 mm-40 -62.51 -36.83 83.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.274 -0.421 . . . . 2.09 111.148 -179.833 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 575' ' ' TYR . . . . . . . . . . . . . 88.9 t80 -68.21 -52.06 38.51 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.971 -0.559 . . . . 0.48 110.548 -178.894 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 576' ' ' TYR . . . . . 0.556 ' CE1' ' HB2' ' A' ' 581' ' ' ALA . 62.7 m-85 -76.51 -13.23 60.11 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 113.14 0.793 . . . . 0.36 113.14 -176.076 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 577' ' ' GLN . . . . . 0.588 ' HG3' ' O ' ' A' ' 573' ' ' VAL . 92.6 mt-30 -68.29 -42.34 79.65 Favored 'General case' 0 C--N 1.325 -0.471 0 C-N-CA 120.363 -0.535 . . . . 1.89 109.725 171.523 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 578' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -92.28 -37.27 12.75 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.849 -0.614 . . . . 2.14 111.608 -179.865 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 579' ' ' LYS . . . . . 0.43 ' O ' ' HA ' ' A' ' 576' ' ' TYR . 56.4 mtpt -128.76 84.39 63.26 Favored Pre-proline 0 C--N 1.327 -0.404 0 N-CA-C 110.237 -0.283 . . . . 2.46 110.237 175.179 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 580' ' ' PRO . . . . . . . . . . . . . 30.6 Cg_endo -64.44 160.51 39.06 Favored 'Trans proline' 0 C--O 1.234 0.312 0 C-N-CA 122.634 2.222 . . . . 0.37 112.536 -178.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 581' ' ' ALA . . . . . 0.556 ' HB2' ' CE1' ' A' ' 576' ' ' TYR . . . -90.58 134.54 34.31 Favored 'General case' 0 CA--C 1.517 -0.297 0 N-CA-C 109.721 -0.474 . . . . 0.27 109.721 178.631 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 582' ' ' ILE . . . . . . . . . . . . . 23.0 mt -103.93 120.83 54.68 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.741 0 CA-C-N 116.357 -0.383 . . . . 0.51 111.519 -174.669 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 583' ' ' ILE . . . . . 0.437 ' CG1' HD11 ' A' ' 588' ' ' LEU . 29.2 mm -124.7 112.6 32.65 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 N-CA-C 109.473 -0.566 . . . . 0.51 109.473 173.822 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 584' ' ' ASN . . . . . . . . . . . . . 96.0 m-20 59.19 34.03 22.99 Favored 'General case' 0 N--CA 1.468 0.448 0 CA-C-O 121.404 0.621 . . . . 1.1 110.606 -178.32 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 585' ' ' GLY . . . . . . . . . . . . . . . 79.8 4.69 89.52 Favored Glycine 0 N--CA 1.447 -0.586 0 CA-C-N 115.397 -0.82 . . . . 0.44 113.25 179.298 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 586' ' ' GLU . . . . . 0.444 ' OE2' ' HB3' ' A' ' 528' ' ' PRO . 47.3 mt-10 -105.09 125.85 51.43 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.013 0.435 . . . . 1.79 110.534 178.477 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 587' ' ' LYS . . . . . . . . . . . . . 33.1 mmtp -75.66 125.8 29.77 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.427 -0.806 . . . . 1.67 111.385 -178.505 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 588' ' ' LEU . . . . . 0.549 HD22 HD23 ' A' ' 527' ' ' LEU . 41.6 mt -89.41 138.86 31.08 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.993 -0.549 . . . . 0.24 110.734 179.331 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 589' ' ' LEU . . . . . 0.445 ' HB3' ' SG ' ' A' ' 525' ' ' CYS . 58.4 tp -113.99 116.18 28.8 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.252 -0.431 . . . . 0.38 110.881 178.535 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 590' ' ' ILE . . . . . 0.517 HD12 ' CE2' ' A' ' 576' ' ' TYR . 26.6 mt -101.34 127.48 54.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 N-CA-C 109.952 -0.388 . . . . 0.26 109.952 174.801 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 591' ' ' ARG . . . . . . . . . . . . . 64.4 mtt-85 -147.39 165.11 31.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.806 0.336 . . . . 2.62 110.812 -177.156 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 592' ' ' MET . . . . . . . . . . . . . 65.1 mtt -82.26 141.17 33.17 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 109.442 -0.577 . . . . 0.34 109.442 176.413 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 593' ' ' SER . . . . . . . . . . . . . 38.5 t -79.4 135.88 36.81 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.32 0.581 . . . . 1.37 110.733 -178.517 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 594' ' ' THR . . . . . . . . . . . . . 22.9 p -89.91 -18.61 25.8 Favored 'General case' 0 C--N 1.316 -0.858 0 CA-C-N 115.043 -0.98 . . . . 0.38 111.229 -179.285 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 595' ' ' ARG . . . . . . . . . . . . . 97.8 mtt180 -103.23 -27.84 12.26 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.984 -0.553 . . . . 2.75 112.177 -169.409 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 596' ' ' TYR . . . . . . . . . . . . . 32.7 m-85 -116.86 144.13 44.87 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.129 0.49 . . . . 0.65 111.912 -177.875 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 597' ' ' LYS . . . . . 0.414 ' N ' ' HD2' ' A' ' 597' ' ' LYS . 0.6 OUTLIER -106.11 -24.25 12.41 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.486 -0.779 . . . . 2.18 111.357 178.757 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 598' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -142.68 149.11 38.42 Favored 'General case' 0 C--N 1.327 -0.402 0 C-N-CA 120.412 -0.515 . . . . 0.95 111.269 179.243 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 599' ' ' LEU . . . . . 0.832 HD21 HG13 ' A' ' 521' ' ' VAL . 59.7 mt -100.49 121.79 42.15 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.35 -0.841 . . . . 0.45 111.383 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 600' ' ' GLN . . . . . . . . . . . . . 45.0 tt0 -101.42 117.53 35.14 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.832 -0.622 . . . . 1.52 110.072 177.881 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 601' ' ' LEU . . . . . . . . . . . . . 79.2 mt -77.21 95.5 4.32 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 120.661 0.267 . . . . 0.46 110.438 177.185 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 602' ' ' LYS . . . . . . . . . . . . . 52.6 mttp -81.13 -18.61 45.83 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.231 0.539 . . . . 1.73 109.892 175.463 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 603' ' ' LYS . . . . . . . . . . . . . 75.1 mmtt -114.74 151.15 45.1 Favored Pre-proline 0 C--N 1.323 -0.572 0 CA-C-N 115.448 -0.796 . . . . 1.69 109.928 -179.46 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 604' ' ' PRO . . . . . . . . . . . . . 39.3 Cg_endo -66.56 148.63 83.82 Favored 'Trans proline' 0 C--O 1.236 0.405 0 C-N-CA 122.773 2.315 . . . . 1.21 112.028 178.782 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 605' ' ' GLY . . . . . . . . . . . . . . . -123.04 128.27 6.98 Favored Glycine 0 N--CA 1.442 -0.946 0 C-N-CA 120.839 -0.696 . . . . 1.23 112.283 -177.6 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 606' ' ' LYS . . . . . . . . . . . . . 34.5 mmtp -60.59 151.7 28.14 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 109.199 -0.667 . . . . 3.47 109.199 174.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 607' ' ' ASN . . . . . . . . . . . . . 28.5 t-20 -57.48 120.8 8.89 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.238 0.542 . . . . 1.33 110.514 177.102 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 608' ' ' VAL . . . . . 0.582 HG11 ' HB ' ' A' ' 547' ' ' VAL . 98.3 t -81.18 -20.44 11.11 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-N 115.406 -0.815 . . . . 0.3 111.443 -173.598 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 609' ' ' ALA . . . . . . . . . . . . . . . -63.7 -34.93 78.96 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.492 0.663 . . . . 0.44 110.234 175.068 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 610' ' ' ALA . . . . . . . . . . . . . . . -66.48 -27.37 67.74 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.584 -0.735 . . . . 0.4 110.301 176.153 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 611' ' ' ILE . . . . . 0.421 ' CD1' HD12 ' A' ' 538' ' ' ILE . 72.8 mt -70.75 -30.76 43.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 N-CA-C 109.501 -0.555 . . . . 0.25 109.501 177.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 612' ' ' ILE . . . . . 0.439 HG12 HD13 ' A' ' 542' ' ' LEU . 66.4 mt -61.25 -39.22 81.82 Favored 'Isoleucine or valine' 0 C--O 1.233 0.198 0 N-CA-C 109.583 -0.525 . . . . 0.31 109.583 171.13 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 613' ' ' GLN . . . . . . . . . . . . . 12.0 mm100 -65.12 -32.55 74.31 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.752 -0.658 . . . . 2.31 110.125 176.912 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 614' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -66.14 -37.96 86.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.568 -0.742 . . . . 1.95 110.403 176.608 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 615' ' ' ILE . . . . . 0.517 HD11 ' HA ' ' A' ' 539' ' ' ASN . 84.1 mt -68.06 -34.34 66.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 115.998 -0.547 . . . . 0.35 110.188 176.182 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 616' ' ' HIS . . . . . . . . . . . . . 62.3 m170 -63.16 -36.52 83.89 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.961 -0.563 . . . . 1.26 110.56 179.224 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 617' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -75.04 -36.54 61.86 Favored 'General case' 0 N--CA 1.448 -0.566 0 CA-C-N 116.58 -0.282 . . . . 1.18 111.444 176.109 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 618' ' ' GLN . . . . . . . . . . . . . 96.6 mt-30 -138.04 102.89 4.81 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-O 120.828 0.346 . . . . 4.68 111.922 -178.021 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 619' ' ' ARG . . . . . . . . . . . . . 6.3 mpt_? -84.17 152.05 24.5 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.165 -0.47 . . . . 7.77 110.717 172.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 620' ' ' GLU . . . . . . . . . . . . . 33.5 mm-40 54.57 79.94 0.13 Allowed 'General case' 0 CA--C 1.521 -0.167 0 O-C-N 123.755 0.659 . . . . 7.92 110.729 -178.255 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 621' ' ' ARG . . . . . . . . . . . . . 25.0 tpt180 . . . . . 0 C--O 1.247 0.97 0 CA-C-O 118.248 -0.882 . . . . 11.0 110.872 -176.774 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 1' ' ' ADN . . . . . 0.576 HN61 HG21 ' A' ' 594' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 2' ' ' ' U' . . . . . 0.54 ' H6 ' " O3'" ' B' ' 1' ' ' ADN . . . . . . . . 0 O5'--C5' 1.425 -0.918 0 C3'-C2'-C1' 99.537 -2.181 . 0.0 '__' . 2.99 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 3' ' ' ' C' . . . . . 0.492 ' H41' ' C4 ' ' B' ' 1' ' ' ADN . . . . . . . . 0 O5'--C5' 1.427 -0.821 0 C3'-C2'-C1' 100.466 -1.149 . 0.0 OUTLIER gamma 1.58 . . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 4' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.899 0 C3'-C2'-C1' 100.808 -0.769 . 0.06 0b . 1.15 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 5' ' ' ' U' . . . . . 0.606 ' O4 ' ' HA ' ' A' ' 601' ' ' LEU . . . . . . . . 0 O5'--C5' 1.426 -0.847 0 C3'-C2'-C1' 100.313 -1.319 . 0.01 0b . 1.33 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 6' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.428 -0.726 0 C3'-C2'-C1' 100.861 -0.71 . 0.0 OUTLIER beta 4.23 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 510' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.751 0 N-CA-C 111.59 -0.604 . . . . 8.88 111.59 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 511' ' ' ALA . . . . . . . . . . . . . . . 66.7 -77.85 0.04 OUTLIER 'General case' 0 N--CA 1.466 0.338 0 C-N-CA 123.13 0.572 . . . . 6.64 111.382 -179.283 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 512' ' ' MET . . . . . . . . . . . . . 26.0 ptt? -99.79 -178.89 4.01 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 109.541 -0.54 . . . . 6.33 109.541 177.669 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 513' ' ' ALA . . . . . . . . . . . . . . . 59.19 45.19 14.7 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-O 121.36 0.6 . . . . 4.2 110.421 -178.262 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 514' ' ' GLN . . . . . . . . . . . . . 23.5 mt-30 -74.57 158.93 32.87 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.509 -0.769 . . . . 2.88 110.601 -177.913 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 515' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -84.19 54.1 2.84 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.959 -0.564 . . . . 4.0 110.685 -175.78 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 516' ' ' LYS . . . . . . . . . . . . . 67.7 mmtt -115.64 20.85 14.39 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.722 -0.672 . . . . 1.89 109.734 179.014 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 517' ' ' GLY . . . . . . . . . . . . . . . -91.34 43.14 2.8 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.933 -0.651 . . . . 2.04 112.964 -175.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 518' ' ' ALA . . . . . . . . . . . . . . . -175.1 -43.45 0.01 OUTLIER 'General case' 0 CA--C 1.511 -0.54 0 CA-C-O 122.292 1.044 . . . . 1.75 108.972 179.863 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 519' ' ' GLY . . . . . . . . . . . . . . . -136.77 148.49 19.76 Favored Glycine 0 N--CA 1.44 -1.062 0 CA-C-N 113.339 -1.755 . . . . 0.67 109.729 174.439 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 520' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -134.34 135.35 42.67 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 117.917 0.858 . . . . 2.22 110.784 178.701 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 521' ' ' VAL . . . . . 0.681 HG13 HD21 ' A' ' 599' ' ' LEU . 59.2 t -115.18 118.43 58.78 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.753 0 N-CA-C 109.113 -0.699 . . . . 0.32 109.113 169.404 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 522' ' ' VAL . . . . . 0.775 HG21 ' SD ' ' A' ' 563' ' ' MET . 21.9 t -121.59 123.5 69.62 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.976 0 N-CA-C 107.773 -1.195 . . . . 0.22 107.773 178.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 523' ' ' HIS . . . . . . . . . . . . . 48.0 t-80 -104.71 128.77 52.9 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-O 121.054 0.454 . . . . 0.44 109.928 -173.894 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 524' ' ' ILE . . . . . 0.44 HG23 HG12 ' A' ' 590' ' ' ILE . 31.6 mt -111.61 139.67 34.72 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.081 0 N-CA-C 108.352 -0.981 . . . . 0.19 108.352 178.745 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 525' ' ' CYS . . . . . 0.601 ' SG ' ' HB3' ' A' ' 589' ' ' LEU . 6.0 p -138.07 165.54 26.36 Favored 'General case' 0 C--N 1.313 -0.989 0 C-N-CA 120.448 -0.501 . . . . 1.17 111.342 -177.604 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 526' ' ' ASN . . . . . 0.484 ' HB2' ' O ' ' A' ' 525' ' ' CYS . 93.0 m-20 86.5 25.98 0.05 Allowed 'General case' 0 N--CA 1.468 0.47 0 O-C-N 124.985 1.428 . . . . 0.26 109.969 176.272 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 527' ' ' LEU . . . . . 0.538 ' HB3' ' SG ' ' A' ' 532' ' ' CYS . 79.2 mt -84.97 125.35 70.84 Favored Pre-proline 0 C--N 1.323 -0.57 0 CA-C-N 114.929 -1.032 . . . . 0.25 108.612 175.885 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 528' ' ' PRO . . . . . 0.425 ' HD3' ' HA ' ' A' ' 527' ' ' LEU . 2.6 Cg_exo -73.91 133.93 19.06 Favored 'Trans proline' 0 N--CA 1.457 -0.627 0 C-N-CA 121.509 1.473 . . . . 0.38 111.265 179.061 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 529' ' ' GLU . . . . . . . . . . . . . 66.9 tt0 -64.69 138.75 58.57 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 109.509 -0.552 . . . . 1.6 109.509 177.117 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 530' ' ' GLY . . . . . . . . . . . . . . . 87.7 3.52 80.55 Favored Glycine 0 N--CA 1.444 -0.782 0 C-N-CA 120.286 -0.959 . . . . 0.48 110.923 -173.034 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 531' ' ' SER . . . . . . . . . . . . . 48.8 m -148.04 2.74 0.69 Allowed 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.03 0.443 . . . . 1.08 110.358 -174.483 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 532' ' ' CYS . . . . . 0.538 ' SG ' ' HB3' ' A' ' 527' ' ' LEU . 35.0 m -89.08 85.72 6.74 Favored 'General case' 0 CA--C 1.513 -0.446 0 N-CA-C 108.404 -0.961 . . . . 0.25 108.404 178.712 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 533' ' ' THR . . . . . 0.528 ' O ' HG23 ' A' ' 537' ' ' VAL . 46.2 p -97.07 151.93 19.27 Favored 'General case' 0 C--N 1.314 -0.941 0 C-N-CA 119.737 -0.785 . . . . 0.35 109.015 -178.4 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 534' ' ' GLU . . . . . 0.487 ' N ' HD11 ' A' ' 552' ' ' LEU . 37.2 mt-10 -65.58 -33.27 75.51 Favored 'General case' 0 C--N 1.318 -0.764 0 N-CA-C 108.537 -0.912 . . . . 1.64 108.537 176.233 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 535' ' ' ASN . . . . . . . . . . . . . 12.6 m120 -62.39 -49.55 75.05 Favored 'General case' 0 C--O 1.213 -0.848 0 CA-C-N 114.682 -1.145 . . . . 1.82 111.644 -179.84 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 536' ' ' ASP . . . . . . . . . . . . . 18.6 m-20 -69.18 -45.67 69.4 Favored 'General case' 0 N--CA 1.47 0.568 0 CA-C-N 118.672 0.669 . . . . 0.61 111.101 -173.554 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 537' ' ' VAL . . . . . 0.528 HG23 ' O ' ' A' ' 533' ' ' THR . 35.7 t -59.77 -48.73 86.49 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 CA-C-N 114.938 -1.028 . . . . 0.15 110.055 -178.053 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 538' ' ' ILE . . . . . 0.723 HD11 ' CG ' ' A' ' 550' ' ' TYR . 41.7 mt -69.42 -34.48 62.43 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.658 0 CA-C-N 115.59 -0.732 . . . . 0.23 112.042 176.782 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 539' ' ' ASN . . . . . 0.478 ' HA ' HD11 ' A' ' 615' ' ' ILE . 9.2 m120 -59.21 -26.58 64.96 Favored 'General case' 0 CA--C 1.515 -0.37 0 O-C-N 122.239 -0.288 . . . . 0.25 110.661 178.476 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 540' ' ' LEU . . . . . . . . . . . . . 97.3 mt -75.83 -42.05 50.77 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 109.867 -0.419 . . . . 0.27 109.867 172.382 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 541' ' ' GLY . . . . . 0.531 ' HA3' HD21 ' A' ' 561' ' ' LEU . . . -63.31 -51.37 55.32 Favored Glycine 0 CA--C 1.524 0.607 0 N-CA-C 115.489 0.955 . . . . 0.19 115.489 -179.759 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 542' ' ' LEU . . . . . 0.478 HD13 HG12 ' A' ' 612' ' ' ILE . 74.1 mt -56.25 -45.82 99.87 Favored Pre-proline 0 C--N 1.319 -0.736 0 N-CA-C 114.548 1.314 . . . . 0.2 114.548 -169.339 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 543' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_exo -59.11 -25.55 78.38 Favored 'Trans proline' 0 C--N 1.349 0.574 0 C-N-CA 122.272 1.981 . . . . 0.23 114.143 -177.654 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 544' ' ' PHE . . . . . 0.448 ' HB2' ' HE2' ' A' ' 572' ' ' MET . 67.2 m-85 -98.93 -11.33 21.73 Favored 'General case' 0 C--N 1.331 -0.202 0 O-C-N 121.916 -0.49 . . . . 0.33 111.071 178.65 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 545' ' ' GLY . . . . . 0.439 ' O ' ' HA ' ' A' ' 542' ' ' LEU . . . 169.78 154.47 9.29 Favored Glycine 0 N--CA 1.449 -0.444 0 C-N-CA 120.976 -0.63 . . . . 0.44 112.122 -177.298 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 546' ' ' LYS . . . . . . . . . . . . . 40.4 ttmt -66.11 131.95 47.37 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 120.754 0.311 . . . . 2.07 111.066 -178.662 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 547' ' ' VAL . . . . . 0.598 ' HB ' HG11 ' A' ' 608' ' ' VAL . 69.9 t -90.08 116.72 31.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-N 116.01 -0.541 . . . . 0.2 111.034 177.517 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 548' ' ' THR . . . . . . . . . . . . . 21.4 p -94.65 -35.18 12.3 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 112.122 0.416 . . . . 0.31 112.122 178.14 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 549' ' ' ASN . . . . . 0.504 ' HB2' ' HB3' ' A' ' 562' ' ' GLU . 4.8 m-20 -140.9 150.09 42.74 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.828 0.347 . . . . 1.26 110.402 -176.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 550' ' ' TYR . . . . . 0.723 ' CG ' HD11 ' A' ' 538' ' ' ILE . 3.7 p90 -157.62 151.01 23.63 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.98 -0.555 . . . . 0.31 109.955 179.321 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 551' ' ' ILE . . . . . 0.565 HG23 ' C6 ' ' B' ' 5' ' ' ' U' . 72.1 mt -144.48 124.05 7.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 N-CA-C 108.801 -0.814 . . . . 0.22 108.801 -175.201 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 552' ' ' LEU . . . . . 0.487 HD11 ' N ' ' A' ' 534' ' ' GLU . 26.7 mt -108.32 119.03 38.31 Favored 'General case' 0 C--N 1.319 -0.752 0 C-N-CA 120.398 -0.521 . . . . 0.43 110.718 -179.034 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 553' ' ' MET . . . . . . . . . . . . . 61.2 mtm -109.54 83.38 1.74 Allowed 'General case' 0 C--N 1.32 -0.7 0 C-N-CA 119.676 -0.809 . . . . 1.03 109.252 178.837 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 554' ' ' LYS . . . . . 0.429 ' HD2' ' HB2' ' A' ' 532' ' ' CYS . 23.9 mmtp -53.35 -27.16 22.09 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 114.698 -1.137 . . . . 1.03 112.262 174.669 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 555' ' ' SER . . . . . . . . . . . . . 66.5 p -68.77 -44.14 74.3 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.986 0.422 . . . . 0.51 110.977 -175.593 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 556' ' ' THR . . . . . 0.458 ' O ' ' HG3' ' A' ' 558' ' ' GLN . 40.6 p -98.68 2.32 47.03 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 112.311 0.486 . . . . 0.45 112.311 -176.869 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 557' ' ' ASN . . . . . . . . . . . . . 36.5 m-80 58.31 39.16 25.81 Favored 'General case' 0 N--CA 1.467 0.424 0 CA-C-O 121.986 0.898 . . . . 1.28 110.104 -177.001 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 558' ' ' GLN . . . . . 0.458 ' HG3' ' O ' ' A' ' 556' ' ' THR . 73.0 mt-30 -139.83 164.35 30.21 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 114.593 -1.185 . . . . 0.84 108.988 -176.385 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 559' ' ' ALA . . . . . 0.432 ' HB1' HD23 ' A' ' 552' ' ' LEU . . . -157.02 164.63 37.76 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 120.942 0.401 . . . . 0.16 111.455 -177.503 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 560' ' ' PHE . . . . . 0.495 ' HB2' ' HB ' ' A' ' 551' ' ' ILE . 91.0 m-85 -120.96 148.78 43.62 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.013 -0.539 . . . . 0.35 110.953 177.3 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 561' ' ' LEU . . . . . 0.626 ' O ' ' HB ' ' A' ' 522' ' ' VAL . 55.5 tp -143.03 118.2 10.14 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.492 -0.776 . . . . 0.2 109.897 -178.73 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 562' ' ' GLU . . . . . 0.504 ' HB3' ' HB2' ' A' ' 549' ' ' ASN . 43.7 tt0 -101.14 131.22 47.19 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.44 0.638 . . . . 2.09 111.113 174.795 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 563' ' ' MET . . . . . 0.775 ' SD ' HG21 ' A' ' 522' ' ' VAL . 2.1 mpt? -102.9 146.81 27.74 Favored 'General case' 0 C--N 1.314 -0.947 0 CA-C-N 114.806 -1.088 . . . . 0.39 108.79 175.332 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 564' ' ' ALA . . . . . . . . . . . . . . . -66.56 -15.98 63.82 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.015 -0.539 . . . . 0.5 111.48 -172.785 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 565' ' ' TYR . . . . . 0.502 ' HB3' ' HG2' ' A' ' 567' ' ' GLU . 74.8 m-85 -138.89 138.27 37.27 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 109.111 -0.699 . . . . 1.15 109.111 -178.125 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 566' ' ' THR . . . . . . . . . . . . . 15.2 t -63.84 -26.59 68.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.145 -0.48 . . . . 0.57 110.726 -177.484 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 567' ' ' GLU . . . . . 0.502 ' HG2' ' HB3' ' A' ' 565' ' ' TYR . 4.0 pt-20 -55.99 -33.71 65.11 Favored 'General case' 0 C--N 1.334 -0.107 0 CA-C-N 116.07 -0.514 . . . . 0.89 111.25 175.722 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 568' ' ' ALA . . . . . 0.658 ' O ' ' HG3' ' A' ' 572' ' ' MET . . . -73.52 -42.65 61.49 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.027 -0.533 . . . . 0.26 110.472 -176.34 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 569' ' ' ALA . . . . . 0.5 ' O ' HG23 ' A' ' 573' ' ' VAL . . . -64.95 -45.39 85.96 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.003 -0.544 . . . . 0.24 111.039 -176.816 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 570' ' ' GLN . . . . . . . . . . . . . 18.6 pt20 -68.57 -35.87 77.98 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.037 -0.529 . . . . 1.24 110.779 -179.161 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 571' ' ' ALA . . . . . . . . . . . . . . . -62.53 -41.76 99.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.858 0.361 . . . . 0.31 110.747 177.764 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 572' ' ' MET . . . . . 0.658 ' HG3' ' O ' ' A' ' 568' ' ' ALA . 52.6 mtt -65.35 -43.44 90.85 Favored 'General case' 0 CA--C 1.516 -0.349 0 CA-C-N 116.105 -0.498 . . . . 0.47 110.744 -179.51 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 573' ' ' VAL . . . . . 0.533 ' O ' ' HG2' ' A' ' 577' ' ' GLN . 57.4 t -58.71 -47.13 89.91 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.371 0 N-CA-C 109.817 -0.438 . . . . 0.34 109.817 179.663 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 574' ' ' GLN . . . . . . . . . . . . . 45.2 mt-30 -60.81 -39.84 90.49 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.949 0.404 . . . . 2.09 110.719 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 575' ' ' TYR . . . . . . . . . . . . . 76.1 t80 -69.08 -51.97 33.19 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.879 -0.601 . . . . 0.48 111.035 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 576' ' ' TYR . . . . . 0.567 ' CE2' HD12 ' A' ' 590' ' ' ILE . 70.1 m-85 -76.42 -14.21 60.07 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 113.23 0.826 . . . . 0.36 113.23 -175.586 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 577' ' ' GLN . . . . . 0.533 ' HG2' ' O ' ' A' ' 573' ' ' VAL . 14.6 mm100 -68.46 -40.96 80.87 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 108.999 -0.741 . . . . 1.89 108.999 169.64 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 578' ' ' GLU . . . . . . . . . . . . . 8.5 mm-40 -85.22 -38.94 18.36 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-N 115.574 -0.739 . . . . 2.14 110.957 -179.849 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 579' ' ' LYS . . . . . 0.478 ' O ' ' HA ' ' A' ' 576' ' ' TYR . 28.6 mtpp -137.54 95.41 11.37 Favored Pre-proline 0 C--N 1.328 -0.339 0 C-N-CA 122.433 0.293 . . . . 2.46 110.844 178.067 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 580' ' ' PRO . . . . . . . . . . . . . 42.4 Cg_endo -67.06 160.78 45.69 Favored 'Trans proline' 0 C--O 1.235 0.36 0 C-N-CA 122.329 2.019 . . . . 0.37 111.614 176.915 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 581' ' ' ALA . . . . . 0.425 ' HB2' ' CE1' ' A' ' 576' ' ' TYR . . . -91.15 136.17 33.27 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 110.045 -0.354 . . . . 0.27 110.045 -177.481 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 582' ' ' ILE . . . . . . . . . . . . . 60.4 mt -101.05 118.44 47.78 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.935 0 CA-C-O 120.887 0.375 . . . . 0.51 111.233 -174.318 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 583' ' ' ILE . . . . . . . . . . . . . 28.5 mm -125.62 112.4 30.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-N 116.015 -0.539 . . . . 0.51 109.763 173.699 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 584' ' ' ASN . . . . . . . . . . . . . 3.3 m-20 57.97 36.59 26.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.42 0.629 . . . . 1.1 110.266 178.236 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 585' ' ' GLY . . . . . . . . . . . . . . . 84.52 -2.29 88.1 Favored Glycine 0 N--CA 1.445 -0.706 0 CA-C-N 115.08 -0.964 . . . . 0.44 113.358 179.67 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 586' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -101.05 125.71 47.68 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 117.236 0.518 . . . . 1.79 111.232 -178.179 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 587' ' ' LYS . . . . . . . . . . . . . 96.7 mttt -81.01 114.72 20.07 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.17 -0.923 . . . . 1.67 111.423 178.181 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 588' ' ' LEU . . . . . . . . . . . . . 35.7 mt -78.59 141.59 37.95 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.396 -0.82 . . . . 0.24 111.206 -177.235 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 589' ' ' LEU . . . . . 0.601 ' HB3' ' SG ' ' A' ' 525' ' ' CYS . 62.3 tp -112.89 112.03 23.21 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.702 -0.681 . . . . 0.38 110.324 177.413 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 590' ' ' ILE . . . . . 0.567 HD12 ' CE2' ' A' ' 576' ' ' TYR . 19.4 mt -102.21 117.87 48.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 N-CA-C 109.883 -0.414 . . . . 0.26 109.883 175.569 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 591' ' ' ARG . . . . . 0.475 ' NE ' HD11 ' A' ' 589' ' ' LEU . 99.4 mtt180 -145.95 165.97 27.41 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 109.741 -0.466 . . . . 2.62 109.741 -179.677 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 592' ' ' MET . . . . . . . . . . . . . 58.9 mtt -81.43 150.76 28.2 Favored 'General case' 0 C--N 1.323 -0.587 0 N-CA-C 110.262 -0.273 . . . . 0.34 110.262 -176.382 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 593' ' ' SER . . . . . 0.404 ' OG ' HG12 ' A' ' 521' ' ' VAL . 18.7 m -94.41 135.45 35.82 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.496 0.665 . . . . 1.37 111.089 -177.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 594' ' ' THR . . . . . 0.576 HG21 HN61 ' B' ' 1' ' ' ADN . 40.2 p -90.25 -9.18 48.92 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-N 114.343 -1.299 . . . . 0.38 112.425 -171.278 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 595' ' ' ARG . . . . . . . . . . . . . 68.2 mtp180 -102.94 -29.07 11.64 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 112.565 0.58 . . . . 2.75 112.565 -171.611 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 596' ' ' TYR . . . . . . . . . . . . . 97.7 m-85 -127.23 157.46 39.74 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.249 0.547 . . . . 0.65 112.051 -172.714 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 597' ' ' LYS . . . . . 0.416 ' C ' HG23 ' A' ' 521' ' ' VAL . 49.9 mtmt -107.89 -21.95 12.64 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.148 -0.933 . . . . 2.18 111.499 176.828 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 598' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -141.84 150.15 41.24 Favored 'General case' 0 C--N 1.33 -0.246 0 C-N-CA 120.262 -0.575 . . . . 0.95 111.61 -177.198 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 599' ' ' LEU . . . . . 0.681 HD21 HG13 ' A' ' 521' ' ' VAL . 63.2 mt -93.29 125.98 38.18 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.252 -0.885 . . . . 0.45 110.963 176.854 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 600' ' ' GLN . . . . . . . . . . . . . 53.2 tt0 -95.01 110.03 21.99 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.083 -0.508 . . . . 1.52 110.249 178.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 601' ' ' LEU . . . . . 0.606 ' HA ' ' O4 ' ' B' ' 5' ' ' ' U' . 81.9 mt -75.23 88.57 2.51 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.973 -0.558 . . . . 0.46 111.214 -178.002 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 602' ' ' LYS . . . . . . . . . . . . . 60.7 mttm -76.44 -15.25 59.97 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.492 -0.776 . . . . 1.73 110.728 176.643 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 603' ' ' LYS . . . . . . . . . . . . . 74.4 mmtt -113.91 154.73 45.91 Favored Pre-proline 0 C--N 1.323 -0.574 0 CA-C-N 116.077 -0.511 . . . . 1.69 110.59 -176.642 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 604' ' ' PRO . . . . . . . . . . . . . 58.1 Cg_endo -71.49 65.05 2.93 Favored 'Trans proline' 0 C--N 1.348 0.501 0 C-N-CA 123.319 2.679 . . . . 1.21 112.756 -178.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 605' ' ' GLY . . . . . . . . . . . . . . . -48.66 113.26 1.48 Allowed Glycine 0 N--CA 1.445 -0.706 0 CA-C-N 115.704 -0.68 . . . . 1.23 112.561 177.709 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 606' ' ' LYS . . . . . . . . . . . . . 26.7 mtpp -63.76 167.37 6.02 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 115.233 -0.484 . . . . 3.47 110.925 179.41 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 607' ' ' ASN . . . . . . . . . . . . . 62.3 t30 -62.15 120.52 11.07 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 121.014 0.435 . . . . 1.33 110.627 -178.836 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 608' ' ' VAL . . . . . 0.598 HG11 ' HB ' ' A' ' 547' ' ' VAL . 58.1 t -77.57 -19.48 14.04 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-N 115.901 -0.591 . . . . 0.3 111.32 -173.892 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 609' ' ' ALA . . . . . . . . . . . . . . . -59.74 -35.78 75.26 Favored 'General case' 0 C--O 1.237 0.414 0 CA-C-O 121.179 0.514 . . . . 0.44 111.017 176.552 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 610' ' ' ALA . . . . . . . . . . . . . . . -64.02 -29.12 70.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.976 -0.556 . . . . 0.4 110.507 178.385 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 611' ' ' ILE . . . . . 0.508 ' CD1' HD12 ' A' ' 538' ' ' ILE . 73.1 mt -71.18 -30.93 42.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-N 115.714 -0.676 . . . . 0.25 109.933 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 612' ' ' ILE . . . . . 0.478 HG12 HD13 ' A' ' 542' ' ' LEU . 55.0 mt -61.73 -40.19 85.94 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.22 0 CA-C-O 121.32 0.581 . . . . 0.31 109.596 172.07 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 613' ' ' GLN . . . . . . . . . . . . . 18.2 mt-30 -63.24 -34.81 78.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.504 -0.771 . . . . 2.31 109.705 177.215 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 614' ' ' ASP . . . . . 0.517 ' O ' ' HG2' ' A' ' 618' ' ' GLN . 2.6 m-20 -65.32 -40.55 93.87 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.035 -0.984 . . . . 1.95 110.427 178.097 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 615' ' ' ILE . . . . . 0.478 HD11 ' HA ' ' A' ' 539' ' ' ASN . 73.9 mt -63.15 -35.28 71.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-O 121.022 0.439 . . . . 0.35 110.347 177.114 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 616' ' ' HIS . . . . . . . . . . . . . 63.4 m170 -63.93 -38.96 92.99 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.989 -0.551 . . . . 1.26 110.868 -178.791 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 617' ' ' SER . . . . . . . . . . . . . 1.3 p -75.73 -33.8 60.31 Favored 'General case' 0 N--CA 1.453 -0.288 0 CA-C-O 120.762 0.315 . . . . 1.18 111.226 176.504 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 618' ' ' GLN . . . . . 0.517 ' HG2' ' O ' ' A' ' 614' ' ' ASP . 84.8 mm-40 -70.03 -34.75 73.65 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.157 -0.474 . . . . 4.68 110.844 178.236 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 619' ' ' ARG . . . . . 0.428 ' NE ' ' HA ' ' A' ' 619' ' ' ARG . 3.1 mmp_? 59.8 64.49 1.28 Allowed 'General case' 0 C--O 1.234 0.262 0 CA-C-O 121.287 0.565 . . . . 7.77 110.222 -178.181 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 620' ' ' GLU . . . . . 0.431 ' OE2' ' HD2' ' A' ' 621' ' ' ARG . 8.6 tp10 -75.3 154.99 37.08 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.323 -0.853 . . . . 7.92 110.676 -176.829 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 621' ' ' ARG . . . . . 0.537 ' HD2' ' H ' ' A' ' 621' ' ' ARG . 0.4 OUTLIER . . . . . 0 C--O 1.251 1.165 0 CA-C-O 118.571 -0.728 . . . . 11.0 109.501 -176.822 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 1' ' ' ADN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 2' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.428 -0.78 0 C3'-C2'-C1' 99.373 -2.363 . 0.0 '__' . 2.99 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 3' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.848 0 O4'-C1'-N19 109.04 0.84 . 0.0 OUTLIER . 1.58 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 4' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.802 0 C3'-C2'-C1' 99.442 -2.287 . 0.0 OUTLIER gamma 1.15 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 5' ' ' ' U' . . . . . 0.665 " H4'" ' HA ' ' A' ' 553' ' ' MET . . . . . . . . 0 O5'--C5' 1.426 -0.874 0 O4'-C1'-N19 109.664 1.464 . 0.0 OUTLIER gamma 1.33 . . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 6' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.424 -1.014 0 P-O3'-C3' 120.603 0.752 . 0.0 OUTLIER . 4.23 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 510' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.725 0 N-CA-C 112.121 -0.392 . . . . 8.88 112.121 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 511' ' ' ALA . . . . . . . . . . . . . . . -67.94 -19.37 64.97 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.771 0.319 . . . . 6.64 111.251 -179.146 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 512' ' ' MET . . . . . . . . . . . . . 26.4 ptt? -81.9 -8.19 59.66 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.365 -0.379 . . . . 6.33 111.179 -179.659 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 513' ' ' ALA . . . . . 0.427 ' O ' ' HB2' ' A' ' 514' ' ' GLN . . . -119.85 117.45 28.18 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.58 -0.282 . . . . 4.2 111.128 -176.522 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 514' ' ' GLN . . . . . 0.427 ' HB2' ' O ' ' A' ' 513' ' ' ALA . 67.8 mm-40 71.45 139.72 0.05 OUTLIER 'General case' 0 N--CA 1.467 0.412 0 O-C-N 123.87 0.731 . . . . 2.88 112.123 178.742 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 515' ' ' ARG . . . . . . . . . . . . . 6.5 mmp_? -79.67 88.94 5.14 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.754 -0.657 . . . . 4.0 109.695 175.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 516' ' ' LYS . . . . . 0.465 ' HZ3' ' HB3' ' A' ' 592' ' ' MET . 18.6 mmtp -126.36 30.61 5.55 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.271 0.558 . . . . 1.89 111.181 -176.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 517' ' ' GLY . . . . . . . . . . . . . . . -107.45 124.91 7.78 Favored Glycine 0 N--CA 1.446 -0.698 0 N-CA-C 110.954 -0.858 . . . . 2.04 110.954 175.64 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 518' ' ' ALA . . . . . . . . . . . . . . . 59.09 55.97 4.16 Favored 'General case' 0 C--O 1.233 0.199 0 CA-C-O 121.466 0.651 . . . . 1.75 110.226 -175.631 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 519' ' ' GLY . . . . . . . . . . . . . . . 137.36 121.6 2.03 Favored Glycine 0 N--CA 1.448 -0.545 0 CA-C-N 115.333 -0.849 . . . . 0.67 111.288 -175.676 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 520' ' ' ARG . . . . . . . . . . . . . 37.9 mtm-85 -139.41 134.21 32.09 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 117.093 0.446 . . . . 2.22 111.137 178.866 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 521' ' ' VAL . . . . . 0.535 HG13 HD21 ' A' ' 599' ' ' LEU . 86.8 t -118.03 123.78 72.15 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 CA-C-N 115.651 -0.704 . . . . 0.32 110.484 167.426 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 522' ' ' VAL . . . . . 0.522 ' HB ' ' O ' ' A' ' 561' ' ' LEU . 21.5 t -120.32 122.97 69.62 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.863 0 N-CA-C 107.725 -1.213 . . . . 0.22 107.725 176.172 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 523' ' ' HIS . . . . . . . . . . . . . 43.5 t-80 -104.92 132.84 50.65 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 121.301 0.572 . . . . 0.44 110.785 -171.873 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 524' ' ' ILE . . . . . 0.458 HG23 HG12 ' A' ' 590' ' ' ILE . 33.1 mt -111.03 139.59 34.21 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.824 0 CA-C-N 115.233 -0.894 . . . . 0.19 108.919 179.119 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 525' ' ' CYS . . . . . 0.417 ' O ' ' HB2' ' A' ' 526' ' ' ASN . 38.4 t -134.12 160.43 37.82 Favored 'General case' 0 C--N 1.314 -0.95 0 CA-C-N 116.656 -0.247 . . . . 1.17 110.594 -177.692 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 526' ' ' ASN . . . . . 0.417 ' HB2' ' O ' ' A' ' 525' ' ' CYS . 84.0 m-20 83.92 29.61 0.07 Allowed 'General case' 0 N--CA 1.468 0.466 0 O-C-N 124.599 1.187 . . . . 0.26 110.613 173.363 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 527' ' ' LEU . . . . . 0.565 ' HB3' ' SG ' ' A' ' 532' ' ' CYS . 80.9 mt -88.01 124.45 66.89 Favored Pre-proline 0 C--N 1.323 -0.585 0 N-CA-C 108.291 -1.003 . . . . 0.25 108.291 174.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 528' ' ' PRO . . . . . 0.441 ' HD3' ' HA ' ' A' ' 527' ' ' LEU . 2.8 Cg_exo -74.44 133.7 17.83 Favored 'Trans proline' 0 N--CA 1.459 -0.523 0 C-N-CA 121.674 1.583 . . . . 0.38 112.145 -178.405 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 529' ' ' GLU . . . . . . . . . . . . . 45.4 tt0 -64.96 130.93 45.18 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.5 -0.555 . . . . 1.6 109.5 176.794 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 530' ' ' GLY . . . . . . . . . . . . . . . 94.48 2.76 63.33 Favored Glycine 0 N--CA 1.447 -0.62 0 C-N-CA 120.497 -0.859 . . . . 0.48 110.965 -173.208 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 531' ' ' SER . . . . . . . . . . . . . 28.5 t -144.46 2.72 1.11 Allowed 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.515 0.674 . . . . 1.08 109.484 -178.15 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 532' ' ' CYS . . . . . 0.565 ' SG ' ' HB3' ' A' ' 527' ' ' LEU . 84.1 m -89.82 87.12 6.84 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 108.915 -0.772 . . . . 0.25 108.915 -178.5 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 533' ' ' THR . . . . . 0.456 ' O ' HG23 ' A' ' 537' ' ' VAL . 26.5 p -101.63 152.38 20.89 Favored 'General case' 0 C--N 1.318 -0.77 0 N-CA-C 108.705 -0.85 . . . . 0.35 108.705 -179.709 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 534' ' ' GLU . . . . . 0.782 ' HA ' HD11 ' A' ' 552' ' ' LEU . 1.7 mp0 -63.74 -34.15 77.24 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 121.329 0.585 . . . . 1.64 109.491 177.673 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 535' ' ' ASN . . . . . . . . . . . . . 4.9 t30 -63.25 -48.09 79.7 Favored 'General case' 0 N--CA 1.445 -0.69 0 CA-C-N 114.932 -1.031 . . . . 1.82 111.161 -177.247 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 536' ' ' ASP . . . . . . . . . . . . . 34.1 m-20 -69.71 -45.65 67.76 Favored 'General case' 0 N--CA 1.476 0.839 0 CA-C-O 121.536 0.684 . . . . 0.61 111.348 -173.391 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 537' ' ' VAL . . . . . 0.456 HG23 ' O ' ' A' ' 533' ' ' THR . 38.4 t -59.62 -45.67 93.96 Favored 'Isoleucine or valine' 0 C--O 1.242 0.66 0 CA-C-N 114.916 -1.038 . . . . 0.15 109.631 -179.056 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 538' ' ' ILE . . . . . 0.612 HG23 HG21 ' A' ' 547' ' ' VAL . 62.0 mt -67.84 -33.45 61.61 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 CA-C-N 115.25 -0.886 . . . . 0.23 111.23 175.338 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 539' ' ' ASN . . . . . 0.542 ' HA ' HD11 ' A' ' 615' ' ' ILE . 11.9 m120 -58.02 -28.42 64.44 Favored 'General case' 0 CA--C 1.512 -0.503 0 O-C-N 122.372 -0.205 . . . . 0.25 110.571 178.015 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 540' ' ' LEU . . . . . 0.498 HD11 HD12 ' A' ' 588' ' ' LEU . 93.8 mt -76.32 -41.41 48.59 Favored 'General case' 0 C--N 1.323 -0.575 0 C-N-CA 120.607 -0.437 . . . . 0.27 110.177 174.152 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 541' ' ' GLY . . . . . 0.502 ' CA ' HD21 ' A' ' 561' ' ' LEU . . . -60.96 -51.45 58.52 Favored Glycine 0 CA--C 1.522 0.514 0 N-CA-C 115.443 0.937 . . . . 0.19 115.443 179.839 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 542' ' ' LEU . . . . . 0.552 ' HA ' ' O ' ' A' ' 545' ' ' GLY . 81.8 mt -60.26 -43.74 94.31 Favored Pre-proline 0 CA--C 1.542 0.637 0 N-CA-C 115.038 1.495 . . . . 0.2 115.038 -168.084 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 543' ' ' PRO . . . . . . . . . . . . . 58.6 Cg_exo -58.04 -27.22 78.66 Favored 'Trans proline' 0 C--N 1.35 0.614 0 C-N-CA 122.169 1.913 . . . . 0.23 113.852 -177.906 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 544' ' ' PHE . . . . . 0.653 ' HB2' ' HE1' ' A' ' 572' ' ' MET . 81.8 m-85 -100.64 -16.64 17.36 Favored 'General case' 0 C--N 1.33 -0.242 0 O-C-N 122.043 -0.411 . . . . 0.33 111.109 178.502 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 545' ' ' GLY . . . . . 0.552 ' O ' ' HA ' ' A' ' 542' ' ' LEU . . . 179.3 156.19 16.86 Favored Glycine 0 N--CA 1.449 -0.479 0 C-N-CA 120.541 -0.838 . . . . 0.44 112.486 179.016 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 546' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -67.08 132.03 47.02 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 120.915 0.388 . . . . 2.07 110.815 -178.647 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 547' ' ' VAL . . . . . 0.612 HG21 HG23 ' A' ' 538' ' ' ILE . 70.9 t -87.7 115.28 27.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-N 116.038 -0.528 . . . . 0.2 110.34 178.743 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 548' ' ' THR . . . . . . . . . . . . . 20.6 p -98.33 -33.86 10.9 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.978 -0.556 . . . . 0.31 111.648 178.47 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 549' ' ' ASN . . . . . 0.407 ' HB2' ' CD ' ' A' ' 562' ' ' GLU . 90.3 m-20 -141.84 157.34 45.11 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.18 0.514 . . . . 1.26 110.635 176.189 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 550' ' ' TYR . . . . . 0.434 ' CD1' HD11 ' A' ' 538' ' ' ILE . 3.3 p90 -162.22 151.53 15.75 Favored 'General case' 0 C--N 1.317 -0.832 0 CA-C-N 115.427 -0.806 . . . . 0.31 109.035 179.284 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 551' ' ' ILE . . . . . 0.485 HG23 ' N3 ' ' B' ' 5' ' ' ' U' . 35.9 mt -142.84 122.43 9.25 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 N-CA-C 108.081 -1.081 . . . . 0.22 108.081 179.292 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 552' ' ' LEU . . . . . 0.782 HD11 ' HA ' ' A' ' 534' ' ' GLU . 20.5 mt -110.33 127.29 54.96 Favored 'General case' 0 C--N 1.312 -1.044 0 C-N-CA 119.194 -1.002 . . . . 0.43 110.086 -178.84 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 553' ' ' MET . . . . . 0.665 ' HA ' " H4'" ' B' ' 5' ' ' ' U' . 65.5 mtm -108.84 83.74 1.81 Allowed 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 108.505 -0.924 . . . . 1.03 108.505 178.49 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 554' ' ' LYS . . . . . 0.531 ' HD2' ' HB2' ' A' ' 532' ' ' CYS . 16.1 mmtp -53.25 -29.06 30.7 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 114.997 -1.002 . . . . 1.03 111.938 177.124 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 555' ' ' SER . . . . . . . . . . . . . 67.2 p -70.8 -40.89 72.25 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 120.695 0.283 . . . . 0.51 111.739 -174.818 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 556' ' ' THR . . . . . . . . . . . . . 42.1 p -98.5 3.99 48.25 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 112.064 0.394 . . . . 0.45 112.064 -176.168 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 557' ' ' ASN . . . . . . . . . . . . . 30.1 m-80 58.17 38.43 26.33 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-O 121.392 0.615 . . . . 1.28 110.555 -177.163 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 558' ' ' GLN . . . . . . . . . . . . . 77.8 mt-30 -143.3 164.35 30.48 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.554 -0.748 . . . . 0.84 109.665 -176.516 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 559' ' ' ALA . . . . . . . . . . . . . . . -157.44 166.22 33.59 Favored 'General case' 0 N--CA 1.451 -0.421 0 CA-C-O 121.594 0.711 . . . . 0.16 112.882 -176.255 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 560' ' ' PHE . . . . . . . . . . . . . 97.7 m-85 -120.61 139.18 53.35 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 114.902 -1.044 . . . . 0.35 109.838 175.446 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 561' ' ' LEU . . . . . 0.522 ' O ' ' HB ' ' A' ' 522' ' ' VAL . 45.7 tp -134.33 119.47 18.71 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 120.988 0.423 . . . . 0.2 110.313 -179.724 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 562' ' ' GLU . . . . . 0.788 ' HB2' HD12 ' A' ' 599' ' ' LEU . 34.5 tt0 -100.55 122.57 43.47 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.478 0.656 . . . . 2.09 111.021 -179.327 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 563' ' ' MET . . . . . 0.639 ' HE1' ' HG3' ' A' ' 572' ' ' MET . 0.0 OUTLIER -102.49 157.76 16.69 Favored 'General case' 0 C--N 1.317 -0.821 0 CA-C-N 114.865 -1.061 . . . . 0.39 108.781 177.654 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 564' ' ' ALA . . . . . . . . . . . . . . . -76.91 -16.32 59.42 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 111.869 0.322 . . . . 0.5 111.869 -172.542 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 565' ' ' TYR . . . . . 0.436 ' HB3' ' HG2' ' A' ' 567' ' ' GLU . 77.8 m-85 -141.13 150.06 42.34 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.018 0.437 . . . . 1.15 110.509 178.102 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 566' ' ' THR . . . . . . . . . . . . . 12.2 t -67.91 -26.93 66.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.687 -0.688 . . . . 0.57 110.363 -179.74 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 567' ' ' GLU . . . . . 0.524 ' HA ' HE21 ' A' ' 570' ' ' GLN . 10.9 pt-20 -57.04 -32.57 66.33 Favored 'General case' 0 CA--C 1.524 -0.054 0 CA-C-N 115.951 -0.568 . . . . 0.89 110.703 175.39 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 568' ' ' ALA . . . . . 0.759 ' O ' ' HG2' ' A' ' 572' ' ' MET . . . -73.61 -42.38 61.58 Favored 'General case' 0 N--CA 1.449 -0.524 0 CA-C-N 115.678 -0.692 . . . . 0.26 109.852 -179.6 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 569' ' ' ALA . . . . . 0.438 ' O ' HG23 ' A' ' 573' ' ' VAL . . . -63.55 -45.25 91.4 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.771 -0.649 . . . . 0.24 111.526 -175.282 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 570' ' ' GLN . . . . . 0.524 HE21 ' HA ' ' A' ' 567' ' ' GLU . 25.5 pt20 -68.83 -35.24 76.72 Favored 'General case' 0 C--N 1.328 -0.369 0 C-N-CA 120.657 -0.417 . . . . 1.24 110.365 178.522 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 571' ' ' ALA . . . . . . . . . . . . . . . -61.54 -38.2 86.57 Favored 'General case' 0 N--CA 1.454 -0.262 0 CA-C-N 116.391 -0.368 . . . . 0.31 110.322 177.525 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 572' ' ' MET . . . . . 0.759 ' HG2' ' O ' ' A' ' 568' ' ' ALA . 17.7 mmt -60.08 -49.76 76.39 Favored 'General case' 0 CA--C 1.517 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.47 109.775 176.339 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 573' ' ' VAL . . . . . 0.57 HG22 ' HA ' ' A' ' 591' ' ' ARG . 58.5 t -63.57 -49.28 83.12 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.376 0 CA-C-N 115.506 -0.77 . . . . 0.34 110.193 -175.735 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 574' ' ' GLN . . . . . 0.504 ' HG2' ' O ' ' A' ' 570' ' ' GLN . 16.2 mm100 -62.26 -37.97 87.5 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.369 -0.378 . . . . 2.09 110.608 -178.027 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 575' ' ' TYR . . . . . . . . . . . . . 62.5 t80 -69.79 -54.44 13.64 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.151 -0.477 . . . . 0.48 111.257 -178.177 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 576' ' ' TYR . . . . . 0.596 ' CE2' HD12 ' A' ' 590' ' ' ILE . 65.3 m-85 -77.94 -14.1 59.65 Favored 'General case' 0 N--CA 1.465 0.295 0 N-CA-C 113.474 0.916 . . . . 0.36 113.474 -173.829 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 577' ' ' GLN . . . . . 0.457 ' HG2' ' O ' ' A' ' 573' ' ' VAL . 13.9 mm100 -67.28 -42.83 83.14 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 109.439 -0.578 . . . . 1.89 109.439 172.125 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 578' ' ' GLU . . . . . . . . . . . . . 31.1 mm-40 -91.5 -38.17 12.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.812 -0.631 . . . . 2.14 111.495 -179.745 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 579' ' ' LYS . . . . . 0.43 ' O ' ' HA ' ' A' ' 576' ' ' TYR . 62.6 mttp -128.16 85.36 60.72 Favored Pre-proline 0 C--N 1.329 -0.301 0 N-CA-C 110.043 -0.355 . . . . 2.46 110.043 177.476 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 580' ' ' PRO . . . . . . . . . . . . . 37.6 Cg_endo -66.11 159.34 50.01 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.375 2.05 . . . . 0.37 112.601 -177.836 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 581' ' ' ALA . . . . . 0.524 ' HB2' ' CE1' ' A' ' 576' ' ' TYR . . . -92.11 134.89 34.43 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 109.632 -0.507 . . . . 0.27 109.632 177.942 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 582' ' ' ILE . . . . . . . . . . . . . 67.8 mt -104.02 120.37 54.13 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.704 0 CA-C-O 120.791 0.329 . . . . 0.51 111.594 -175.214 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 583' ' ' ILE . . . . . 0.461 ' CG1' HD11 ' A' ' 588' ' ' LEU . 28.1 mm -125.56 115.11 42.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 N-CA-C 109.618 -0.512 . . . . 0.51 109.618 173.844 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 584' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 58.47 33.55 23.21 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.286 0.565 . . . . 1.1 110.197 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 585' ' ' GLY . . . . . . . . . . . . . . . 85.57 -0.16 88.18 Favored Glycine 0 N--CA 1.446 -0.666 0 CA-C-N 115.457 -0.792 . . . . 0.44 113.534 178.697 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 586' ' ' GLU . . . . . . . . . . . . . 76.3 mm-40 -101.48 126.79 48.32 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 117.412 0.606 . . . . 1.79 111.262 -179.2 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 587' ' ' LYS . . . . . . . . . . . . . 58.9 mttp -73.98 113.77 11.54 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.446 -0.797 . . . . 1.67 110.595 174.443 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 588' ' ' LEU . . . . . 0.498 HD12 HD11 ' A' ' 540' ' ' LEU . 45.3 mt -75.86 141.03 42.52 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 116.018 -0.537 . . . . 0.24 110.76 -178.596 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 589' ' ' LEU . . . . . 0.445 HD11 ' CZ ' ' A' ' 591' ' ' ARG . 35.5 tp -112.23 111.08 21.71 Favored 'General case' 0 C--N 1.317 -0.84 0 CA-C-N 115.765 -0.652 . . . . 0.38 110.467 -179.937 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 590' ' ' ILE . . . . . 0.596 HD12 ' CE2' ' A' ' 576' ' ' TYR . 17.4 mt -107.21 118.58 55.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 N-CA-C 110.193 -0.299 . . . . 0.26 110.193 175.862 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 591' ' ' ARG . . . . . 0.57 ' HA ' HG22 ' A' ' 573' ' ' VAL . 97.4 mtt180 -145.23 166.45 25.45 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 109.763 -0.458 . . . . 2.62 109.763 -178.405 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 592' ' ' MET . . . . . 0.465 ' HB3' ' HZ3' ' A' ' 516' ' ' LYS . 39.5 mtt -76.92 151.24 35.84 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 120.717 0.294 . . . . 0.34 110.639 -177.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 593' ' ' SER . . . . . . . . . . . . . 45.3 t -87.14 134.86 33.47 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.264 0.554 . . . . 1.37 110.872 -179.616 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 594' ' ' THR . . . . . . . . . . . . . 19.3 p -90.83 -16.27 28.56 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 114.932 -1.031 . . . . 0.38 110.927 177.28 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 595' ' ' ARG . . . . . . . . . . . . . 98.2 mtt180 -102.9 -28.61 11.94 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 112.697 0.629 . . . . 2.75 112.697 -169.118 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 596' ' ' TYR . . . . . . . . . . . . . 96.9 m-85 -127.82 144.02 51.1 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.79 0.328 . . . . 0.65 111.778 -176.738 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 597' ' ' LYS . . . . . 0.41 ' N ' ' HD2' ' A' ' 597' ' ' LYS . 9.0 mptt -109.05 -9.95 15.04 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.065 -0.516 . . . . 2.18 111.552 175.604 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 598' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -143.84 149.51 37.08 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 120.488 -0.485 . . . . 0.95 110.808 -178.466 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 599' ' ' LEU . . . . . 0.788 HD12 ' HB2' ' A' ' 562' ' ' GLU . 33.3 mt -101.02 123.03 44.58 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.789 -0.641 . . . . 0.45 111.45 176.289 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 600' ' ' GLN . . . . . . . . . . . . . 50.3 tt0 -102.56 110.65 22.66 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.58 -0.736 . . . . 1.52 109.813 176.044 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 601' ' ' LEU . . . . . . . . . . . . . 29.7 mt -77.53 104.33 7.99 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.528 -0.306 . . . . 0.46 111.36 -178.336 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 602' ' ' LYS . . . . . . . . . . . . . 33.8 mtmt -82.57 -20.06 37.27 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 109.409 -0.589 . . . . 1.73 109.409 172.079 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 603' ' ' LYS . . . . . . . . . . . . . 34.4 mmtp -116.27 145.15 34.41 Favored Pre-proline 0 C--N 1.326 -0.441 0 CA-C-N 115.357 -0.838 . . . . 1.69 110.049 -178.694 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 604' ' ' PRO . . . . . . . . . . . . . 19.8 Cg_endo -62.16 150.57 86.26 Favored 'Trans proline' 0 C--N 1.342 0.232 0 C-N-CA 122.897 2.398 . . . . 1.21 112.267 178.755 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 605' ' ' GLY . . . . . . . . . . . . . . . -110.44 -47.19 0.81 Allowed Glycine 0 N--CA 1.445 -0.757 0 CA-C-N 115.575 -0.739 . . . . 1.23 112.04 -176.856 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 606' ' ' LYS . . . . . . . . . . . . . 27.3 mtmm 76.29 -176.13 0.12 Allowed 'General case' 0 N--CA 1.469 0.48 0 CA-C-N 114.835 -0.682 . . . . 3.47 109.502 -177.308 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 607' ' ' ASN . . . . . . . . . . . . . 47.0 t30 -62.28 121.23 12.63 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.026 0.441 . . . . 1.33 111.425 178.169 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 608' ' ' VAL . . . . . 0.533 HG11 ' HB ' ' A' ' 547' ' ' VAL . 56.6 t -95.36 -22.48 5.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 115.849 -0.614 . . . . 0.3 110.359 178.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 609' ' ' ALA . . . . . . . . . . . . . . . -58.35 -29.07 65.68 Favored 'General case' 0 C--O 1.236 0.394 0 CA-C-O 121.381 0.61 . . . . 0.44 111.229 176.641 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 610' ' ' ALA . . . . . . . . . . . . . . . -64.16 -28.2 69.59 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.968 -0.56 . . . . 0.4 110.192 177.351 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 611' ' ' ILE . . . . . 0.441 ' O ' HG13 ' A' ' 615' ' ' ILE . 74.6 mt -71.37 -29.71 36.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 115.72 -0.673 . . . . 0.25 109.894 177.856 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 612' ' ' ILE . . . . . 0.469 ' CG1' HD13 ' A' ' 542' ' ' LEU . 79.1 mt -60.82 -44.3 97.31 Favored 'Isoleucine or valine' 0 C--O 1.234 0.273 0 CA-C-O 121.284 0.564 . . . . 0.31 109.681 173.538 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 613' ' ' GLN . . . . . . . . . . . . . 74.5 mt-30 -65.67 -31.23 72.13 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.562 -0.744 . . . . 2.31 110.186 177.48 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 614' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -65.8 -44.36 85.91 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.249 -0.887 . . . . 1.95 109.824 178.013 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 615' ' ' ILE . . . . . 0.542 HD11 ' HA ' ' A' ' 539' ' ' ASN . 85.9 mt -59.43 -46.14 92.99 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-N 115.739 -0.664 . . . . 0.35 110.488 176.878 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 616' ' ' HIS . . . . . . . . . . . . . 27.8 m-70 -64.01 -27.85 69.4 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.267 -0.424 . . . . 1.26 111.569 -179.565 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 617' ' ' SER . . . . . . . . . . . . . 45.9 m -73.62 -35.71 65.36 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 120.917 0.389 . . . . 1.18 110.633 178.196 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 618' ' ' GLN . . . . . . . . . . . . . 51.1 mt-30 -83.93 -33.81 24.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.148 -0.478 . . . . 4.68 111.027 179.521 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 619' ' ' ARG . . . . . . . . . . . . . 60.7 mtt180 62.93 63.49 0.95 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 121.399 0.619 . . . . 7.77 109.711 -175.478 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 620' ' ' GLU . . . . . . . . . . . . . 21.1 mm-40 -88.64 68.15 8.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.458 -0.792 . . . . 7.92 111.64 -174.158 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 621' ' ' ARG . . . . . . . . . . . . . 66.9 ttt180 . . . . . 0 C--O 1.25 1.128 0 O-C-N 123.71 0.631 . . . . 11.0 111.592 174.607 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 1' ' ' ADN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 2' ' ' ' U' . . . . . 0.503 ' C2 ' ' SG ' ' A' ' 525' ' ' CYS . . . . . . . . 0 O5'--C5' 1.423 -1.049 0 C3'-C2'-C1' 99.593 -2.118 . 0.0 '__' . 2.99 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 3' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.801 0 C3'-C2'-C1' 100.54 -1.067 . 0.0 OUTLIER '7D dist 2[' 1.58 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 4' ' ' ' U' . . . . . 0.498 ' O2 ' ' HD3' ' A' ' 602' ' ' LYS . . . . . . . . 0 O5'--C5' 1.427 -0.83 0 C3'-C2'-C1' 100.263 -1.375 . 0.0 OUTLIER gamma 1.15 . . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 5' ' ' ' U' . . . . . 0.631 ' N3 ' HG23 ' A' ' 551' ' ' ILE . . . . . . . . 0 O5'--C5' 1.424 -0.987 0 C3'-C2'-C1' 99.342 -2.397 . 0.529 4b . 1.33 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 6' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.911 0 C3'-C2'-C1' 100.236 -1.405 . 0.0 OUTLIER . 4.23 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 510' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.743 0 N-CA-C 111.83 -0.508 . . . . 8.88 111.83 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 511' ' ' ALA . . . . . . . . . . . . . . . -82.72 57.61 3.87 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.386 0.612 . . . . 6.64 110.675 -179.577 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 512' ' ' MET . . . . . . . . . . . . . 50.3 ttm -168.38 142.88 3.37 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.338 -0.846 . . . . 6.33 108.938 -179.773 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 513' ' ' ALA . . . . . . . . . . . . . . . 55.9 57.86 4.85 Favored 'General case' 0 C--O 1.232 0.177 0 CA-C-O 121.252 0.548 . . . . 4.2 110.037 -176.722 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 514' ' ' GLN . . . . . 0.448 ' H ' ' NE2' ' A' ' 514' ' ' GLN . 2.0 mp0 -64.93 133.27 51.44 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.365 -0.834 . . . . 2.88 110.908 -176.655 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 515' ' ' ARG . . . . . 0.462 ' O ' ' HD3' ' A' ' 516' ' ' LYS . 17.7 mtp180 -72.65 120.41 18.23 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.179 -0.464 . . . . 4.0 110.445 177.609 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 516' ' ' LYS . . . . . 0.462 ' HD3' ' O ' ' A' ' 515' ' ' ARG . 66.8 mmtt -127.03 44.28 2.94 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.082 0.468 . . . . 1.89 109.947 179.032 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 517' ' ' GLY . . . . . . . . . . . . . . . -88.01 -68.7 1.29 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.866 -0.683 . . . . 2.04 112.233 -179.324 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 518' ' ' ALA . . . . . . . . . . . . . . . -93.86 59.33 2.76 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.387 0.613 . . . . 1.75 110.045 177.607 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 519' ' ' GLY . . . . . . . . . . . . . . . 134.45 130.67 3.02 Favored Glycine 0 N--CA 1.444 -0.793 0 N-CA-C 111.075 -0.81 . . . . 0.67 111.075 -175.018 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 520' ' ' ARG . . . . . 0.545 ' NH2' ' HB2' ' A' ' 563' ' ' MET . 20.0 mtm105 -132.95 136.59 46.19 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 117.381 0.591 . . . . 2.22 110.851 175.445 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 521' ' ' VAL . . . . . 0.772 HG13 HD21 ' A' ' 599' ' ' LEU . 99.7 t -116.39 122.75 70.44 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 CA-C-N 115.789 -0.641 . . . . 0.32 110.738 172.043 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 522' ' ' VAL . . . . . 0.56 ' HB ' ' O ' ' A' ' 561' ' ' LEU . 28.8 t -118.93 121.09 65.98 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.749 0 N-CA-C 107.216 -1.402 . . . . 0.22 107.216 172.639 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 523' ' ' HIS . . . . . 0.428 ' HE1' " O2'" ' B' ' 2' ' ' ' U' . 41.1 t-80 -106.37 132.72 52.07 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-O 121.178 0.513 . . . . 0.44 110.572 -171.902 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 524' ' ' ILE . . . . . 0.466 HG23 HG12 ' A' ' 590' ' ' ILE . 37.3 mt -111.19 139.33 35.65 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.915 0 N-CA-C 108.63 -0.878 . . . . 0.19 108.63 178.079 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 525' ' ' CYS . . . . . 0.51 ' SG ' ' HG2' ' A' ' 558' ' ' GLN . 46.8 t -134.41 162.03 33.36 Favored 'General case' 0 C--N 1.313 -1.007 0 C-N-CA 120.907 -0.317 . . . . 1.17 110.771 -176.475 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 526' ' ' ASN . . . . . 0.461 ' HB2' ' O ' ' A' ' 525' ' ' CYS . 88.1 m-20 85.91 28.19 0.05 OUTLIER 'General case' 0 N--CA 1.467 0.405 0 O-C-N 124.587 1.179 . . . . 0.26 110.586 172.587 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 527' ' ' LEU . . . . . . . . . . . . . 81.3 mt -89.43 123.88 65.77 Favored Pre-proline 0 C--N 1.323 -0.586 0 N-CA-C 108.621 -0.881 . . . . 0.25 108.621 177.201 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 528' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -73.19 134.14 20.62 Favored 'Trans proline' 0 N--CA 1.454 -0.8 0 C-N-CA 121.321 1.348 . . . . 0.38 111.934 -176.917 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 529' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -64.25 131.01 46.11 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 109.441 -0.577 . . . . 1.6 109.441 175.131 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 530' ' ' GLY . . . . . . . . . . . . . . . 92.87 3.62 65.84 Favored Glycine 0 N--CA 1.445 -0.747 0 N-CA-C 110.473 -1.051 . . . . 0.48 110.473 -171.873 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 531' ' ' SER . . . . . . . . . . . . . 49.3 m -148.9 7.33 0.72 Allowed 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.188 -0.506 . . . . 1.08 110.305 -177.112 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 532' ' ' CYS . . . . . 0.448 ' HB2' ' HG3' ' A' ' 554' ' ' LYS . 63.2 m -90.77 82.93 5.69 Favored 'General case' 0 CA--C 1.512 -0.498 0 N-CA-C 108.896 -0.779 . . . . 0.25 108.896 178.492 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 533' ' ' THR . . . . . 0.432 ' O ' HG23 ' A' ' 537' ' ' VAL . 27.9 p -96.75 151.81 19.28 Favored 'General case' 0 N--CA 1.442 -0.847 0 N-CA-C 108.7 -0.852 . . . . 0.35 108.7 -178.479 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 534' ' ' GLU . . . . . 0.504 ' HA ' HD11 ' A' ' 552' ' ' LEU . 45.7 mt-10 -65.97 -34.41 78.05 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-O 121.607 0.718 . . . . 1.64 109.181 177.437 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 535' ' ' ASN . . . . . . . . . . . . . 3.9 t30 -65.05 -48.71 72.86 Favored 'General case' 0 N--CA 1.445 -0.702 0 CA-C-N 114.531 -1.213 . . . . 1.82 111.347 -175.728 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 536' ' ' ASP . . . . . . . . . . . . . 28.6 m-20 -69.53 -43.98 71.9 Favored 'General case' 0 N--CA 1.476 0.834 0 CA-C-O 121.399 0.619 . . . . 0.61 111.341 -173.574 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 537' ' ' VAL . . . . . 0.432 HG23 ' O ' ' A' ' 533' ' ' THR . 49.8 t -59.69 -46.93 92.88 Favored 'Isoleucine or valine' 0 C--O 1.24 0.604 0 CA-C-N 115.088 -0.96 . . . . 0.15 110.043 -179.26 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 538' ' ' ILE . . . . . 0.527 HD11 ' CG ' ' A' ' 550' ' ' TYR . 51.6 mt -68.11 -33.0 58.44 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.8 0 CA-C-N 115.274 -0.875 . . . . 0.23 111.301 175.384 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 539' ' ' ASN . . . . . 0.638 ' HA ' HD11 ' A' ' 615' ' ' ILE . 11.5 m120 -57.81 -26.64 62.24 Favored 'General case' 0 N--CA 1.466 0.365 0 C-N-CA 121.023 -0.271 . . . . 0.25 110.508 176.223 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 540' ' ' LEU . . . . . 0.502 HD11 HD12 ' A' ' 588' ' ' LEU . 84.5 mt -75.97 -42.79 47.31 Favored 'General case' 0 C--N 1.323 -0.585 0 C-N-CA 120.453 -0.499 . . . . 0.27 110.013 173.568 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 541' ' ' GLY . . . . . . . . . . . . . . . -65.17 -50.8 55.12 Favored Glycine 0 CA--C 1.526 0.749 0 N-CA-C 115.834 1.094 . . . . 0.19 115.834 -178.053 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 542' ' ' LEU . . . . . 0.595 ' HB2' ' CD1' ' A' ' 615' ' ' ILE . 59.2 mt -63.22 -40.91 65.2 Favored Pre-proline 0 C--N 1.32 -0.687 0 N-CA-C 115.398 1.629 . . . . 0.2 115.398 -168.137 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 543' ' ' PRO . . . . . 0.549 ' HG3' HG21 ' A' ' 615' ' ' ILE . 40.7 Cg_exo -63.4 -26.15 70.88 Favored 'Trans proline' 0 CA--C 1.531 0.334 0 C-N-CA 121.518 1.479 . . . . 0.23 113.33 -178.879 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 544' ' ' PHE . . . . . 0.481 ' HB2' ' HE2' ' A' ' 572' ' ' MET . 87.5 m-85 -101.28 -15.83 17.15 Favored 'General case' 0 C--N 1.331 -0.201 0 C-N-CA 120.667 -0.413 . . . . 0.33 111.643 178.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 545' ' ' GLY . . . . . 0.551 ' O ' ' HA ' ' A' ' 542' ' ' LEU . . . -170.24 179.94 42.13 Favored Glycine 0 C--O 1.224 -0.494 0 C-N-CA 120.342 -0.933 . . . . 0.44 112.357 -176.242 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 546' ' ' LYS . . . . . 0.436 ' HB3' ' HB2' ' A' ' 564' ' ' ALA . 24.0 ttmm -94.82 122.43 37.44 Favored 'General case' 0 C--N 1.318 -0.783 0 N-CA-C 109.525 -0.546 . . . . 2.07 109.525 -178.034 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 547' ' ' VAL . . . . . 0.602 ' HB ' HG11 ' A' ' 608' ' ' VAL . 81.1 t -88.75 114.94 27.83 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-O 121.001 0.429 . . . . 0.2 110.757 177.62 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 548' ' ' THR . . . . . . . . . . . . . 23.8 p -101.34 -35.53 9.2 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.095 -0.502 . . . . 0.31 112.046 176.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 549' ' ' ASN . . . . . 0.438 ' HB2' ' HB3' ' A' ' 562' ' ' GLU . 6.4 m-20 -140.37 152.01 45.43 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.016 0.436 . . . . 1.26 109.956 -178.645 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 550' ' ' TYR . . . . . 0.527 ' CG ' HD11 ' A' ' 538' ' ' ILE . 7.3 p90 -161.13 151.11 17.31 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.685 -0.689 . . . . 0.31 109.684 -177.439 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 551' ' ' ILE . . . . . 0.631 HG23 ' N3 ' ' B' ' 5' ' ' ' U' . 64.5 mt -144.0 126.47 11.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 N-CA-C 108.346 -0.983 . . . . 0.22 108.346 -175.49 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 552' ' ' LEU . . . . . 0.504 HD11 ' HA ' ' A' ' 534' ' ' GLU . 21.9 mt -107.13 119.88 40.59 Favored 'General case' 0 C--N 1.313 -0.987 0 C-N-CA 120.243 -0.583 . . . . 0.43 111.094 -177.231 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 553' ' ' MET . . . . . 0.615 ' HA ' " H4'" ' B' ' 5' ' ' ' U' . 68.0 mtm -109.31 81.19 1.4 Allowed 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.911 0.862 . . . . 1.03 109.511 179.774 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 554' ' ' LYS . . . . . 0.509 ' CD ' ' H ' ' A' ' 554' ' ' LYS . 0.2 OUTLIER -53.56 -27.99 29.3 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 114.174 -1.376 . . . . 1.03 112.692 173.15 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 555' ' ' SER . . . . . . . . . . . . . 61.2 p -69.39 -44.24 71.88 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 120.848 0.356 . . . . 0.51 111.113 -174.617 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 556' ' ' THR . . . . . 0.405 ' O ' ' HG3' ' A' ' 558' ' ' GLN . 40.6 p -99.2 4.56 46.76 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 112.422 0.527 . . . . 0.45 112.422 -177.887 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 557' ' ' ASN . . . . . . . . . . . . . 40.0 m-80 59.69 39.84 20.58 Favored 'General case' 0 N--CA 1.468 0.453 0 CA-C-O 121.769 0.795 . . . . 1.28 110.145 -176.581 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 558' ' ' GLN . . . . . 0.51 ' HG2' ' SG ' ' A' ' 525' ' ' CYS . 75.2 mt-30 -139.82 167.74 21.42 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 114.844 -1.071 . . . . 0.84 109.705 -175.528 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 559' ' ' ALA . . . . . . . . . . . . . . . -158.34 166.66 31.73 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.061 0.457 . . . . 0.16 111.783 -179.56 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 560' ' ' PHE . . . . . 0.514 ' HB2' ' HB ' ' A' ' 551' ' ' ILE . 76.7 m-85 -119.15 147.0 44.67 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.916 -0.584 . . . . 0.35 110.785 177.527 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 561' ' ' LEU . . . . . 0.56 ' O ' ' HB ' ' A' ' 522' ' ' VAL . 51.8 tp -138.49 119.59 14.51 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.72 -0.673 . . . . 0.2 110.547 -178.929 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 562' ' ' GLU . . . . . 0.438 ' HB3' ' HB2' ' A' ' 549' ' ' ASN . 43.5 tt0 -99.99 122.67 43.25 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.359 0.599 . . . . 2.09 110.324 176.271 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 563' ' ' MET . . . . . 0.545 ' HB2' ' NH2' ' A' ' 520' ' ' ARG . 18.9 mtt -110.74 147.59 34.11 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.184 -0.916 . . . . 0.39 108.827 -178.836 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 564' ' ' ALA . . . . . 0.436 ' HB2' ' HB3' ' A' ' 546' ' ' LYS . . . -58.66 -44.85 90.27 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 118.049 0.386 . . . . 0.5 111.626 -168.772 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 565' ' ' TYR . . . . . 0.437 ' HB2' ' HG2' ' A' ' 567' ' ' GLU . 85.5 m-85 -121.97 155.01 36.43 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.314 0.578 . . . . 1.15 111.12 -178.421 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 566' ' ' THR . . . . . 0.507 ' HA ' ' NH1' ' A' ' 520' ' ' ARG . 9.7 t -65.22 -27.37 68.62 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.175 -0.921 . . . . 0.57 110.574 -179.403 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 567' ' ' GLU . . . . . 0.437 ' HG2' ' HB2' ' A' ' 565' ' ' TYR . 10.3 pt-20 -57.32 -31.3 65.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.477 -0.783 . . . . 0.89 111.23 176.877 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 568' ' ' ALA . . . . . 0.651 ' O ' ' HG3' ' A' ' 572' ' ' MET . . . -72.55 -44.0 62.71 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.308 -0.405 . . . . 0.26 110.435 -177.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 569' ' ' ALA . . . . . 0.485 ' HA ' ' SD ' ' A' ' 563' ' ' MET . . . -63.14 -44.27 96.0 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.161 -0.472 . . . . 0.24 111.451 -176.407 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 570' ' ' GLN . . . . . . . . . . . . . 12.9 pt20 -64.94 -40.33 94.86 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.455 -0.338 . . . . 1.24 110.406 -178.547 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 571' ' ' ALA . . . . . . . . . . . . . . . -65.46 -43.4 90.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.113 -0.494 . . . . 0.31 111.116 -178.412 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 572' ' ' MET . . . . . 0.651 ' HG3' ' O ' ' A' ' 568' ' ' ALA . 26.9 mtt -66.32 -47.69 72.72 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.362 -0.381 . . . . 0.47 110.737 -179.37 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 573' ' ' VAL . . . . . 0.641 ' O ' ' HG2' ' A' ' 577' ' ' GLN . 86.7 t -58.43 -46.84 89.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 C-N-CA 121.03 -0.268 . . . . 0.34 110.413 -178.745 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 574' ' ' GLN . . . . . . . . . . . . . 98.4 mt-30 -61.42 -37.13 82.39 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.779 0.323 . . . . 2.09 110.947 178.667 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 575' ' ' TYR . . . . . . . . . . . . . 84.2 t80 -67.08 -51.78 50.15 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.292 -0.413 . . . . 0.48 110.036 179.882 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 576' ' ' TYR . . . . . 0.594 ' HA ' ' O ' ' A' ' 579' ' ' LYS . 65.6 m-85 -72.38 -13.52 61.49 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 112.709 0.633 . . . . 0.36 112.709 -178.08 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 577' ' ' GLN . . . . . 0.641 ' HG2' ' O ' ' A' ' 573' ' ' VAL . 26.5 mm-40 -67.74 -42.97 81.01 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.093 0.473 . . . . 1.89 109.826 170.468 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 578' ' ' GLU . . . . . . . . . . . . . 12.0 mm-40 -85.85 -38.45 18.1 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.843 -0.617 . . . . 2.14 111.3 178.125 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 579' ' ' LYS . . . . . 0.594 ' O ' ' HA ' ' A' ' 576' ' ' TYR . 24.7 mtpp -135.47 93.97 15.83 Favored Pre-proline 0 C--N 1.327 -0.412 0 CA-C-N 116.746 -0.206 . . . . 2.46 110.576 176.236 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 580' ' ' PRO . . . . . . . . . . . . . 43.4 Cg_endo -67.76 161.72 42.59 Favored 'Trans proline' 0 N--CA 1.461 -0.415 0 C-N-CA 122.23 1.953 . . . . 0.37 111.072 174.928 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 581' ' ' ALA . . . . . 0.458 ' O ' ' HG ' ' A' ' 588' ' ' LEU . . . -90.03 136.18 33.2 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 109.828 -0.434 . . . . 0.27 109.828 -175.859 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 582' ' ' ILE . . . . . . . . . . . . . 30.7 mt -101.26 118.57 48.2 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.77 0 CA-C-N 116.322 -0.399 . . . . 0.51 111.717 -172.784 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 583' ' ' ILE . . . . . 0.405 ' CG1' HD11 ' A' ' 588' ' ' LEU . 29.4 mm -126.75 114.46 37.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 N-CA-C 109.31 -0.626 . . . . 0.51 109.31 174.332 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 584' ' ' ASN . . . . . . . . . . . . . 79.0 m-20 59.66 32.45 21.5 Favored 'General case' 0 N--CA 1.467 0.413 0 CA-C-O 121.217 0.532 . . . . 1.1 110.065 -175.9 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 585' ' ' GLY . . . . . . . . . . . . . . . 76.98 7.77 86.68 Favored Glycine 0 N--CA 1.448 -0.545 0 CA-C-N 115.759 -0.655 . . . . 0.44 112.812 -179.539 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 586' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -105.45 127.41 52.98 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.882 0.372 . . . . 1.79 110.465 179.379 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 587' ' ' LYS . . . . . . . . . . . . . 44.2 mmtm -75.53 127.16 32.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.889 -0.596 . . . . 1.67 111.6 -178.249 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 588' ' ' LEU . . . . . 0.502 HD12 HD11 ' A' ' 540' ' ' LEU . 43.7 mt -89.17 138.19 31.65 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.029 -0.532 . . . . 0.24 110.586 178.691 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 589' ' ' LEU . . . . . . . . . . . . . 51.1 tp -113.9 114.8 26.73 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.281 -0.418 . . . . 0.38 111.076 -179.011 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 590' ' ' ILE . . . . . 0.489 HD12 ' CE2' ' A' ' 576' ' ' TYR . 22.8 mt -102.35 129.98 52.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 N-CA-C 110.198 -0.297 . . . . 0.26 110.198 176.014 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 591' ' ' ARG . . . . . . . . . . . . . 60.0 mtp180 -145.47 163.51 34.46 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.385 -0.371 . . . . 2.62 110.393 -178.077 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 592' ' ' MET . . . . . . . . . . . . . 61.1 mtt -82.72 143.94 30.56 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 109.429 -0.582 . . . . 0.34 109.429 174.196 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 593' ' ' SER . . . . . . . . . . . . . 43.1 t -85.69 130.97 34.43 Favored 'General case' 0 C--O 1.237 0.441 0 CA-C-O 121.541 0.686 . . . . 1.37 111.815 -175.428 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 594' ' ' THR . . . . . 0.433 ' HA ' ' HG2' ' A' ' 514' ' ' GLN . 19.2 p -89.68 -11.73 41.59 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 114.384 -1.28 . . . . 0.38 110.908 177.458 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 595' ' ' ARG . . . . . . . . . . . . . 62.4 mtp180 -101.02 -29.9 11.92 Favored 'General case' 0 C--N 1.331 -0.201 0 N-CA-C 112.911 0.708 . . . . 2.75 112.911 -171.025 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 596' ' ' TYR . . . . . . . . . . . . . 62.5 m-85 -127.7 152.3 47.9 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 112.69 0.626 . . . . 0.65 112.69 -174.908 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 597' ' ' LYS . . . . . . . . . . . . . 97.2 mttt -108.54 -19.99 13.25 Favored 'General case' 0 C--O 1.222 -0.39 0 CA-C-N 115.144 -0.934 . . . . 2.18 112.173 -179.356 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 598' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -142.05 151.36 42.33 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.295 0.569 . . . . 0.95 111.592 -175.324 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 599' ' ' LEU . . . . . 0.772 HD21 HG13 ' A' ' 521' ' ' VAL . 93.0 mt -117.1 120.84 39.57 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 114.992 -1.003 . . . . 0.45 110.41 177.692 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 600' ' ' GLN . . . . . . . . . . . . . 20.4 pt20 -113.61 137.97 50.84 Favored 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 109.906 -0.405 . . . . 1.52 109.906 179.002 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 601' ' ' LEU . . . . . . . . . . . . . 82.2 mt -87.13 91.86 8.86 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 121.27 0.557 . . . . 0.46 111.238 -177.491 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 602' ' ' LYS . . . . . 0.498 ' HD3' ' O2 ' ' B' ' 4' ' ' ' U' . 56.9 mtpt -77.67 -13.6 59.86 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.477 -0.783 . . . . 1.73 110.588 177.248 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 603' ' ' LYS . . . . . . . . . . . . . 34.5 mmtp -122.45 141.74 35.56 Favored Pre-proline 0 C--N 1.324 -0.529 0 CA-C-N 115.743 -0.662 . . . . 1.69 109.621 177.83 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 604' ' ' PRO . . . . . . . . . . . . . 39.5 Cg_endo -67.4 149.41 80.56 Favored 'Trans proline' 0 C--O 1.233 0.27 0 C-N-CA 122.483 2.122 . . . . 1.21 111.574 177.225 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 605' ' ' GLY . . . . . . . . . . . . . . . -132.89 179.01 17.7 Favored Glycine 0 N--CA 1.439 -1.108 0 C-N-CA 120.651 -0.785 . . . . 1.23 112.097 -177.657 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 606' ' ' LYS . . . . . . . . . . . . . 36.8 mmtm -91.21 156.51 17.79 Favored 'General case' 0 C--N 1.315 -0.933 0 N-CA-C 108.987 -0.745 . . . . 3.47 108.987 179.07 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 607' ' ' ASN . . . . . . . . . . . . . 26.3 t-20 -62.37 122.08 14.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.952 0.406 . . . . 1.33 110.387 175.487 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 608' ' ' VAL . . . . . 0.602 HG11 ' HB ' ' A' ' 547' ' ' VAL . 43.7 t -76.74 -26.31 16.3 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 115.833 -0.621 . . . . 0.3 112.365 -171.687 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 609' ' ' ALA . . . . . . . . . . . . . . . -60.82 -36.48 79.19 Favored 'General case' 0 C--O 1.239 0.512 0 CA-C-O 121.631 0.729 . . . . 0.44 110.635 177.432 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 610' ' ' ALA . . . . . . . . . . . . . . . -65.51 -28.59 69.3 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.436 -0.802 . . . . 0.4 110.367 177.229 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 611' ' ' ILE . . . . . 0.429 ' CD1' HD12 ' A' ' 538' ' ' ILE . 72.3 mt -71.21 -29.83 37.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 115.849 -0.614 . . . . 0.25 109.716 178.273 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 612' ' ' ILE . . . . . 0.449 ' CG1' HD13 ' A' ' 542' ' ' LEU . 61.8 mt -60.72 -44.65 97.69 Favored 'Isoleucine or valine' 0 C--O 1.234 0.279 0 N-CA-C 109.529 -0.545 . . . . 0.31 109.529 173.819 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 613' ' ' GLN . . . . . 0.432 ' HA ' ' OE1' ' A' ' 613' ' ' GLN . 14.3 mm-40 -66.04 -29.72 70.13 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.517 -0.765 . . . . 2.31 110.407 178.241 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 614' ' ' ASP . . . . . 0.4 ' HB3' ' O ' ' A' ' 611' ' ' ILE . 21.1 t70 -65.94 -45.32 82.27 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.156 -0.929 . . . . 1.95 110.502 176.756 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 615' ' ' ILE . . . . . 0.638 HD11 ' HA ' ' A' ' 539' ' ' ASN . 85.3 mt -65.29 -41.76 92.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 120.976 0.417 . . . . 0.35 110.863 179.172 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 616' ' ' HIS . . . . . . . . . . . . . 26.4 m-70 -67.38 -26.83 66.65 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.9 -0.591 . . . . 1.26 110.917 178.752 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 617' ' ' SER . . . . . 0.432 ' O ' ' HB2' ' A' ' 618' ' ' GLN . 12.7 t -66.15 -24.5 66.67 Favored 'General case' 0 N--CA 1.454 -0.259 0 N-CA-C 109.167 -0.679 . . . . 1.18 109.167 172.227 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 618' ' ' GLN . . . . . 0.432 ' HB2' ' O ' ' A' ' 617' ' ' SER . 69.1 mt-30 82.7 104.88 0.06 Allowed 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 114.544 -1.207 . . . . 4.68 111.784 173.104 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 619' ' ' ARG . . . . . . . . . . . . . 22.1 mmm180 -96.67 30.55 2.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.011 -0.995 . . . . 7.77 110.462 -178.387 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 620' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -130.9 105.86 8.04 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 116.059 -0.519 . . . . 7.92 109.982 -179.88 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 621' ' ' ARG . . . . . . . . . . . . . 73.0 mtt180 . . . . . 0 C--O 1.249 1.057 0 CA-C-O 118.452 -0.785 . . . . 11.0 110.343 -177.244 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 1' ' ' ADN . . . . . 0.459 " H2'" ' C6 ' ' B' ' 2' ' ' ' U' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 2' ' ' ' U' . . . . . 0.459 ' C6 ' " H2'" ' B' ' 1' ' ' ADN . . . . . . . . 0 O5'--C5' 1.425 -0.931 0 C3'-C2'-C1' 99.213 -2.541 . 0.0 '__' . 2.99 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 3' ' ' ' C' . . . . . 0.579 ' C2 ' ' HB3' ' A' ' 593' ' ' SER . . . . . . . . 0 O5'--C5' 1.427 -0.818 0 P-O3'-C3' 121.188 1.24 . 0.0 OUTLIER . 1.58 . . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 4' ' ' ' U' . . . . . 0.478 ' O4 ' ' HA ' ' A' ' 599' ' ' LEU . . . . . . . . 0 O5'--C5' 1.428 -0.757 0 C4'-C3'-C2' 104.49 1.79 . 0.0 OUTLIER gamma 1.15 . . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 5' ' ' ' U' . . . . . 0.575 ' N3 ' HG23 ' A' ' 551' ' ' ILE . . . . . . . . 0 O5'--C5' 1.422 -1.099 0 C4'-C3'-C2' 103.485 0.785 . 0.0 OUTLIER gamma 1.33 . . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 6' ' ' ' A' . . . . . 0.41 ' OP1' ' HB2' ' A' ' 554' ' ' LYS . . . . . . . . 0 O5'--C5' 1.424 -1.022 0 C3'-C2'-C1' 100.39 -1.234 . 0.0 OUTLIER . 4.23 . . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 510' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 1.463 0 N-CA-C 112.269 -0.333 . . . . 8.88 112.269 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 511' ' ' ALA . . . . . . . . . . . . . . . -103.65 161.64 13.74 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 110.513 -0.18 . . . . 6.64 110.513 179.63 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 512' ' ' MET . . . . . . . . . . . . . 24.9 ttt -150.11 153.6 36.66 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 110.005 -0.369 . . . . 6.33 110.005 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 513' ' ' ALA . . . . . . . . . . . . . . . -78.4 78.69 4.86 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.893 0.378 . . . . 4.2 110.242 177.121 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 514' ' ' GLN . . . . . . . . . . . . . 15.1 mm100 -64.13 136.99 57.74 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.618 -0.719 . . . . 2.88 111.227 -177.268 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 515' ' ' ARG . . . . . . . . . . . . . 30.0 mmt180 -86.15 145.67 26.92 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.208 -0.451 . . . . 4.0 110.098 176.746 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 516' ' ' LYS . . . . . 0.445 ' HB3' ' NH1' ' A' ' 520' ' ' ARG . 44.7 mmtm -136.7 28.27 2.97 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.313 -0.403 . . . . 1.89 110.06 174.899 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 517' ' ' GLY . . . . . . . . . . . . . . . -82.9 -99.69 0.51 Allowed Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.69 -0.767 . . . . 2.04 111.669 -178.589 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 518' ' ' ALA . . . . . . . . . . . . . . . -86.1 -16.33 38.37 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 121.838 0.827 . . . . 1.75 109.211 175.354 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 519' ' ' GLY . . . . . . . . . . . . . . . -109.52 110.58 2.98 Favored Glycine 0 N--CA 1.44 -1.073 0 CA-C-N 114.276 -1.329 . . . . 0.67 111.08 177.189 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 520' ' ' ARG . . . . . 0.445 ' NH1' ' HB3' ' A' ' 516' ' ' LYS . 36.6 mtp85 -131.38 132.95 44.79 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 109.705 -0.48 . . . . 2.22 109.705 173.873 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 521' ' ' VAL . . . . . 0.64 HG13 HD21 ' A' ' 599' ' ' LEU . 94.2 t -117.84 121.19 66.81 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.736 0 CA-C-N 116.104 -0.498 . . . . 0.32 111.26 175.043 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 522' ' ' VAL . . . . . 0.406 HG11 ' CE ' ' A' ' 563' ' ' MET . 24.2 t -121.11 122.81 68.54 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.782 0 N-CA-C 107.73 -1.211 . . . . 0.22 107.73 172.703 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 523' ' ' HIS . . . . . 0.548 ' HB2' ' OG ' ' A' ' 593' ' ' SER . 50.7 t-80 -104.99 133.72 49.3 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.174 0.512 . . . . 0.44 110.854 -172.569 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 524' ' ' ILE . . . . . 0.513 HD11 HD22 ' A' ' 561' ' ' LEU . 29.2 mt -114.02 129.89 69.16 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.886 0 N-CA-C 108.412 -0.959 . . . . 0.19 108.412 177.265 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 525' ' ' CYS . . . . . 0.512 ' SG ' ' HB3' ' A' ' 589' ' ' LEU . 2.1 p -134.76 165.84 24.34 Favored 'General case' 0 C--N 1.315 -0.927 0 C-N-CA 120.513 -0.475 . . . . 1.17 111.57 -174.521 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 526' ' ' ASN . . . . . 0.466 ' HB2' ' O ' ' A' ' 525' ' ' CYS . 87.7 m-20 86.68 28.69 0.04 OUTLIER 'General case' 0 N--CA 1.468 0.443 0 O-C-N 124.998 1.436 . . . . 0.26 110.032 178.027 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 527' ' ' LEU . . . . . 0.573 ' HB3' ' SG ' ' A' ' 532' ' ' CYS . 82.1 mt -92.96 123.34 61.52 Favored Pre-proline 0 C--N 1.323 -0.544 0 CA-C-N 115.26 -0.882 . . . . 0.25 108.692 177.823 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 528' ' ' PRO . . . . . 0.431 ' HD3' ' HA ' ' A' ' 527' ' ' LEU . 4.3 Cg_exo -74.36 134.21 18.68 Favored 'Trans proline' 0 N--CA 1.461 -0.399 0 C-N-CA 121.54 1.494 . . . . 0.38 111.917 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 529' ' ' GLU . . . . . . . . . . . . . 28.0 tt0 -65.28 130.78 44.58 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 109.85 -0.426 . . . . 1.6 109.85 177.233 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 530' ' ' GLY . . . . . . . . . . . . . . . 94.55 3.24 62.91 Favored Glycine 0 N--CA 1.445 -0.757 0 N-CA-C 110.505 -1.038 . . . . 0.48 110.505 -172.434 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 531' ' ' SER . . . . . . . . . . . . . 50.7 m -145.97 7.61 1.07 Allowed 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.066 0.46 . . . . 1.08 110.385 -178.89 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 532' ' ' CYS . . . . . 0.573 ' SG ' ' HB3' ' A' ' 527' ' ' LEU . 57.5 m -94.18 90.7 6.45 Favored 'General case' 0 CA--C 1.515 -0.399 0 N-CA-C 108.953 -0.758 . . . . 0.25 108.953 179.744 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 533' ' ' THR . . . . . 0.473 ' O ' HG23 ' A' ' 537' ' ' VAL . 25.4 p -102.0 151.25 22.35 Favored 'General case' 0 N--CA 1.442 -0.833 0 C-N-CA 119.515 -0.874 . . . . 0.35 108.701 -178.798 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 534' ' ' GLU . . . . . 0.824 ' HA ' HD11 ' A' ' 552' ' ' LEU . 22.9 mp0 -64.95 -33.64 76.52 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 109.004 -0.739 . . . . 1.64 109.004 178.941 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 535' ' ' ASN . . . . . 0.487 HD21 ' CG ' ' A' ' 614' ' ' ASP . 26.1 t-20 -61.05 -49.05 78.93 Favored 'General case' 0 N--CA 1.443 -0.794 0 CA-C-N 114.506 -1.224 . . . . 1.82 111.535 -178.879 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 536' ' ' ASP . . . . . . . . . . . . . 57.4 m-20 -69.63 -46.22 66.71 Favored 'General case' 0 N--CA 1.473 0.714 0 CA-C-O 121.523 0.678 . . . . 0.61 111.154 -173.916 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 537' ' ' VAL . . . . . 0.473 HG23 ' O ' ' A' ' 533' ' ' THR . 28.0 t -61.32 -47.53 93.05 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 CA-C-N 114.719 -1.128 . . . . 0.15 110.115 -177.356 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 538' ' ' ILE . . . . . 0.581 HD11 ' CD1' ' A' ' 550' ' ' TYR . 62.6 mt -68.41 -33.31 59.53 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-N 115.695 -0.684 . . . . 0.23 111.28 176.525 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 539' ' ' ASN . . . . . 0.424 ' HA ' HD11 ' A' ' 615' ' ' ILE . 9.7 m120 -58.25 -26.41 62.89 Favored 'General case' 0 N--CA 1.468 0.446 0 C-N-CA 120.797 -0.361 . . . . 0.25 110.364 175.874 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 540' ' ' LEU . . . . . 0.457 HD11 HD12 ' A' ' 588' ' ' LEU . 87.4 mt -75.51 -41.38 55.34 Favored 'General case' 0 C--N 1.323 -0.556 0 C-N-CA 120.475 -0.49 . . . . 0.27 110.241 174.218 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 541' ' ' GLY . . . . . 0.558 ' HA2' ' SD ' ' A' ' 572' ' ' MET . . . -67.43 -51.69 35.64 Favored Glycine 0 CA--C 1.527 0.824 0 N-CA-C 116.278 1.271 . . . . 0.19 116.278 -178.939 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 542' ' ' LEU . . . . . 0.516 HD13 ' CG1' ' A' ' 612' ' ' ILE . 49.7 mt -61.95 -39.63 60.82 Favored Pre-proline 0 C--N 1.319 -0.749 0 N-CA-C 115.628 1.714 . . . . 0.2 115.628 -168.15 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 543' ' ' PRO . . . . . 0.5 ' HG3' HG21 ' A' ' 615' ' ' ILE . 52.5 Cg_exo -60.5 -25.39 80.49 Favored 'Trans proline' 0 C--N 1.345 0.359 0 C-N-CA 121.476 1.451 . . . . 0.23 112.995 -179.197 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 544' ' ' PHE . . . . . . . . . . . . . 92.5 m-85 -103.44 -4.06 24.58 Favored 'General case' 0 C--O 1.233 0.199 0 N-CA-C 111.877 0.325 . . . . 0.33 111.877 -179.178 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 545' ' ' GLY . . . . . 0.435 ' O ' ' HA ' ' A' ' 542' ' ' LEU . . . 172.72 -171.14 44.17 Favored Glycine 0 N--CA 1.448 -0.506 0 C-N-CA 119.726 -1.226 . . . . 0.44 113.192 -179.524 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 546' ' ' LYS . . . . . . . . . . . . . 63.3 tttp -95.26 121.96 37.45 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 110.211 -0.292 . . . . 2.07 110.211 -177.706 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 547' ' ' VAL . . . . . 0.575 ' HB ' HG11 ' A' ' 608' ' ' VAL . 77.2 t -87.83 113.85 25.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-N 116.411 -0.359 . . . . 0.2 110.209 174.057 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 548' ' ' THR . . . . . . . . . . . . . 20.8 p -96.9 -35.09 11.01 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.066 -0.516 . . . . 0.31 111.643 177.171 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 549' ' ' ASN . . . . . 0.529 ' OD1' HD11 ' A' ' 601' ' ' LEU . 89.8 m-20 -142.03 160.68 39.72 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.43 0.633 . . . . 1.26 110.623 178.523 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 550' ' ' TYR . . . . . 0.581 ' CD1' HD11 ' A' ' 538' ' ' ILE . 1.6 p90 -160.86 150.75 17.46 Favored 'General case' 0 C--N 1.315 -0.904 0 CA-C-N 114.988 -1.005 . . . . 0.31 109.016 -179.582 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 551' ' ' ILE . . . . . 0.575 HG23 ' N3 ' ' B' ' 5' ' ' ' U' . 77.5 mt -140.01 121.43 15.24 Favored 'Isoleucine or valine' 0 CA--C 1.506 -0.725 0 N-CA-C 108.144 -1.058 . . . . 0.22 108.144 178.664 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 552' ' ' LEU . . . . . 0.824 HD11 ' HA ' ' A' ' 534' ' ' GLU . 18.6 mt -111.76 111.7 22.86 Favored 'General case' 0 C--N 1.311 -1.079 0 C-N-CA 119.497 -0.881 . . . . 0.43 109.544 178.796 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 553' ' ' MET . . . . . 0.443 ' HG2' " C4'" ' B' ' 4' ' ' ' U' . 2.9 mpp? -100.67 84.42 2.73 Favored 'General case' 0 C--N 1.317 -0.838 0 N-CA-C 108.028 -1.101 . . . . 1.03 108.028 -176.531 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 554' ' ' LYS . . . . . 0.554 ' HD2' ' HB2' ' A' ' 532' ' ' CYS . 19.6 mmtp -52.43 -29.57 25.11 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 114.343 -1.299 . . . . 1.03 111.995 -179.596 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 555' ' ' SER . . . . . . . . . . . . . 63.5 p -69.85 -39.14 76.58 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 120.932 0.396 . . . . 0.51 111.207 -175.64 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 556' ' ' THR . . . . . . . . . . . . . 62.9 p -97.21 3.04 51.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.289 -0.414 . . . . 0.45 111.904 -177.306 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 557' ' ' ASN . . . . . 0.548 ' N ' HD22 ' A' ' 557' ' ' ASN . 0.9 OUTLIER 56.4 38.18 29.48 Favored 'General case' 0 N--CA 1.469 0.508 0 CA-C-O 121.505 0.669 . . . . 1.28 110.727 -178.63 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 558' ' ' GLN . . . . . . . . . . . . . 48.8 mt-30 -144.57 166.79 24.17 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.308 -0.86 . . . . 0.84 109.719 -176.672 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 559' ' ' ALA . . . . . . . . . . . . . . . -156.38 164.36 38.38 Favored 'General case' 0 N--CA 1.449 -0.503 0 CA-C-O 121.487 0.66 . . . . 0.16 112.475 -176.155 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 560' ' ' PHE . . . . . 0.473 ' HB2' ' HB ' ' A' ' 551' ' ' ILE . 91.4 m-85 -120.85 151.43 39.65 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.146 -0.933 . . . . 0.35 110.899 176.351 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 561' ' ' LEU . . . . . 0.513 HD22 HD11 ' A' ' 524' ' ' ILE . 47.8 tp -137.39 120.77 17.0 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.788 -0.642 . . . . 0.2 110.029 -179.512 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 562' ' ' GLU . . . . . 0.474 ' HB2' HD12 ' A' ' 599' ' ' LEU . 31.5 tt0 -98.41 132.4 43.9 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.349 0.595 . . . . 2.09 110.425 179.059 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 563' ' ' MET . . . . . 0.533 ' SD ' ' HA ' ' A' ' 569' ' ' ALA . 40.9 mtt -122.28 135.13 54.69 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.119 -0.946 . . . . 0.39 109.769 -174.377 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 564' ' ' ALA . . . . . . . . . . . . . . . -74.44 -16.51 60.86 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 112.694 0.627 . . . . 0.5 112.694 -170.176 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 565' ' ' TYR . . . . . 0.409 ' CB ' ' HG2' ' A' ' 567' ' ' GLU . 98.5 m-85 -138.16 148.09 44.54 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 120.799 0.333 . . . . 1.15 110.303 -176.436 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 566' ' ' THR . . . . . . . . . . . . . 14.0 t -63.89 -27.38 69.12 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.818 -0.628 . . . . 0.57 110.787 -179.341 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 567' ' ' GLU . . . . . 0.409 ' HG2' ' CB ' ' A' ' 565' ' ' TYR . 9.5 pt-20 -56.55 -34.12 66.76 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.592 -0.731 . . . . 0.89 110.926 176.735 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 568' ' ' ALA . . . . . 0.633 ' O ' ' HG3' ' A' ' 572' ' ' MET . . . -74.23 -45.83 45.57 Favored 'General case' 0 N--CA 1.45 -0.444 0 CA-C-N 115.963 -0.562 . . . . 0.26 111.49 -172.672 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 569' ' ' ALA . . . . . 0.533 ' HA ' ' SD ' ' A' ' 563' ' ' MET . . . -65.28 -44.86 86.67 Favored 'General case' 0 N--CA 1.453 -0.282 0 CA-C-N 116.574 -0.284 . . . . 0.24 111.216 -176.256 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 570' ' ' GLN . . . . . . . . . . . . . 13.4 pt20 -68.14 -36.29 79.45 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.558 -0.292 . . . . 1.24 111.123 -179.448 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 571' ' ' ALA . . . . . . . . . . . . . . . -65.56 -46.16 80.56 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-O 120.763 0.316 . . . . 0.31 111.135 -179.338 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 572' ' ' MET . . . . . 0.633 ' HG3' ' O ' ' A' ' 568' ' ' ALA . 23.5 mtt -68.9 -47.65 65.3 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.241 -0.436 . . . . 0.47 111.222 -177.028 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 573' ' ' VAL . . . . . 0.414 HG23 ' O ' ' A' ' 569' ' ' ALA . 81.3 t -58.49 -47.55 87.93 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.369 0 C-N-CA 120.83 -0.348 . . . . 0.34 110.556 -177.426 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 574' ' ' GLN . . . . . . . . . . . . . 49.6 mt-30 -61.32 -38.04 85.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.823 0.344 . . . . 2.09 110.855 179.865 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 575' ' ' TYR . . . . . . . . . . . . . 91.8 t80 -68.93 -53.29 21.76 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.082 -0.508 . . . . 0.48 110.879 -179.085 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 576' ' ' TYR . . . . . 0.469 ' CD2' HD12 ' A' ' 590' ' ' ILE . 84.8 m-85 -75.94 -14.39 60.25 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 112.901 0.704 . . . . 0.36 112.901 -174.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 577' ' ' GLN . . . . . . . . . . . . . 11.5 mm100 -68.78 -43.71 75.16 Favored 'General case' 0 C--N 1.328 -0.339 0 C-N-CA 120.509 -0.477 . . . . 1.89 109.962 172.397 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 578' ' ' GLU . . . . . . . . . . . . . 41.1 mm-40 -88.59 -37.57 15.56 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.037 -0.529 . . . . 2.14 111.747 179.557 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 579' ' ' LYS . . . . . . . . . . . . . 63.4 mttm -131.35 82.29 62.79 Favored Pre-proline 0 C--N 1.324 -0.542 0 N-CA-C 109.338 -0.615 . . . . 2.46 109.338 -177.846 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 580' ' ' PRO . . . . . . . . . . . . . 9.2 Cg_exo -67.86 161.34 44.43 Favored 'Trans proline' 0 N--CA 1.459 -0.553 0 C-N-CA 122.699 2.266 . . . . 0.37 111.831 -177.126 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 581' ' ' ALA . . . . . 0.401 ' O ' ' HG ' ' A' ' 588' ' ' LEU . . . -90.71 136.85 32.8 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.363 -0.38 . . . . 0.27 110.127 -176.614 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 582' ' ' ILE . . . . . . . . . . . . . 63.7 mt -100.28 121.21 50.74 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.741 0 CA-C-N 116.212 -0.449 . . . . 0.51 111.402 -175.574 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 583' ' ' ILE . . . . . 0.477 HG13 HD11 ' A' ' 588' ' ' LEU . 5.5 mt -126.79 112.01 27.79 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 CA-C-N 115.924 -0.58 . . . . 0.51 109.726 170.31 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 584' ' ' ASN . . . . . . . . . . . . . 96.4 m-20 57.82 34.46 24.41 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-O 121.421 0.629 . . . . 1.1 110.66 -178.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 585' ' ' GLY . . . . . . . . . . . . . . . 84.98 4.29 87.13 Favored Glycine 0 N--CA 1.447 -0.632 0 CA-C-N 115.353 -0.839 . . . . 0.44 113.575 177.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 586' ' ' GLU . . . . . . . . . . . . . 75.1 mm-40 -100.91 126.71 47.56 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 117.163 0.481 . . . . 1.79 111.239 179.717 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 587' ' ' LYS . . . . . . . . . . . . . 72.6 mmtt -73.46 112.49 9.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.443 -0.799 . . . . 1.67 110.365 174.62 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 588' ' ' LEU . . . . . 0.477 HD11 HG13 ' A' ' 583' ' ' ILE . 48.1 mt -78.85 136.18 37.25 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 120.762 0.315 . . . . 0.24 110.383 178.607 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 589' ' ' LEU . . . . . 0.512 ' HB3' ' SG ' ' A' ' 525' ' ' CYS . 40.9 tp -112.74 112.93 24.78 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.971 -0.559 . . . . 0.38 110.691 -177.284 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 590' ' ' ILE . . . . . 0.469 HD12 ' CD2' ' A' ' 576' ' ' TYR . 18.6 mt -103.7 118.48 50.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 N-CA-C 110.127 -0.323 . . . . 0.26 110.127 176.309 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 591' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -146.78 164.94 31.17 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.253 -0.43 . . . . 2.62 109.85 -178.374 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 592' ' ' MET . . . . . . . . . . . . . 62.0 mtt -83.58 142.81 30.57 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 110.107 -0.331 . . . . 0.34 110.107 -178.499 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 593' ' ' SER . . . . . 0.579 ' HB3' ' C2 ' ' B' ' 3' ' ' ' C' . 55.6 m -86.67 141.27 29.06 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.278 0.561 . . . . 1.37 112.098 -175.909 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 594' ' ' THR . . . . . . . . . . . . . 19.5 p -91.62 -17.04 26.15 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.064 -0.971 . . . . 0.38 112.335 -178.583 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 595' ' ' ARG . . . . . 0.456 ' HB2' ' O2 ' ' B' ' 3' ' ' ' C' . 73.4 mtp180 -101.63 -31.55 10.77 Favored 'General case' 0 C--N 1.329 -0.285 0 C-N-CA 120.389 -0.524 . . . . 2.75 112.074 -171.088 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 596' ' ' TYR . . . . . . . . . . . . . 69.0 m-85 -115.19 139.17 50.16 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 121.107 0.48 . . . . 0.65 111.583 -176.111 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 597' ' ' LYS . . . . . 0.529 ' N ' ' HD2' ' A' ' 597' ' ' LYS . 10.1 mptt -109.05 -7.82 15.28 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.163 -0.926 . . . . 2.18 110.434 177.504 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 598' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -143.09 151.78 41.12 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.978 0.418 . . . . 0.95 110.843 -175.703 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 599' ' ' LEU . . . . . 0.64 HD21 HG13 ' A' ' 521' ' ' VAL . 85.9 mt -115.88 119.63 36.59 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.542 -0.754 . . . . 0.45 110.455 -179.537 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 600' ' ' GLN . . . . . . . . . . . . . 30.1 tt0 -104.27 126.38 51.33 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.834 -0.621 . . . . 1.52 110.967 -179.681 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 601' ' ' LEU . . . . . 0.529 HD11 ' OD1' ' A' ' 549' ' ' ASN . 54.9 mt -84.02 90.57 7.46 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.149 -0.478 . . . . 0.46 111.251 -179.674 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 602' ' ' LYS . . . . . . . . . . . . . 54.7 mtpt -75.61 -20.7 58.36 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.194 0.521 . . . . 1.73 110.232 173.204 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 603' ' ' LYS . . . . . . . . . . . . . 33.9 mmtp -113.73 152.38 45.48 Favored Pre-proline 0 C--N 1.323 -0.583 0 CA-C-N 115.725 -0.67 . . . . 1.69 109.375 177.1 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 604' ' ' PRO . . . . . . . . . . . . . 31.1 Cg_endo -63.65 157.49 51.23 Favored 'Trans proline' 0 C--O 1.235 0.331 0 C-N-CA 122.653 2.235 . . . . 1.21 112.7 -177.17 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 605' ' ' GLY . . . . . . . . . . . . . . . -113.93 126.68 7.46 Favored Glycine 0 N--CA 1.439 -1.155 0 N-CA-C 110.766 -0.934 . . . . 1.23 110.766 -179.53 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 606' ' ' LYS . . . . . . . . . . . . . 30.6 mmmt -92.25 165.36 13.15 Favored 'General case' 0 C--N 1.314 -0.972 0 N-CA-C 109.355 -0.609 . . . . 3.47 109.355 -179.514 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 607' ' ' ASN . . . . . . . . . . . . . 51.7 t-20 -54.72 120.81 7.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.329 0.585 . . . . 1.33 111.209 179.536 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 608' ' ' VAL . . . . . 0.575 HG11 ' HB ' ' A' ' 547' ' ' VAL . 71.5 t -95.71 -27.13 4.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-N 115.158 -0.928 . . . . 0.3 110.695 -178.369 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 609' ' ' ALA . . . . . . . . . . . . . . . -61.93 -34.92 76.96 Favored 'General case' 0 C--O 1.239 0.508 0 CA-C-O 121.516 0.674 . . . . 0.44 110.387 176.314 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 610' ' ' ALA . . . . . . . . . . . . . . . -65.1 -27.07 68.51 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.506 -0.77 . . . . 0.4 110.274 175.885 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 611' ' ' ILE . . . . . 0.442 ' HB ' ' O ' ' A' ' 608' ' ' VAL . 74.9 mt -71.33 -31.4 43.45 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 115.726 -0.67 . . . . 0.25 109.646 177.331 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 612' ' ' ILE . . . . . 0.516 ' CG1' HD13 ' A' ' 542' ' ' LEU . 58.3 mt -61.15 -41.45 89.46 Favored 'Isoleucine or valine' 0 C--O 1.234 0.284 0 CA-C-O 120.913 0.387 . . . . 0.31 110.008 173.613 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 613' ' ' GLN . . . . . . . . . . . . . 71.1 mt-30 -61.9 -37.63 85.32 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 115.72 -0.673 . . . . 2.31 109.505 176.58 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 614' ' ' ASP . . . . . 0.487 ' CG ' HD21 ' A' ' 535' ' ' ASN . 15.8 t70 -64.89 -45.37 86.22 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 114.58 -1.191 . . . . 1.95 111.243 -177.771 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 615' ' ' ILE . . . . . 0.504 ' CD1' ' HB2' ' A' ' 542' ' ' LEU . 87.4 mt -59.16 -48.62 86.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.125 -0.489 . . . . 0.35 110.87 179.16 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 616' ' ' HIS . . . . . . . . . . . . . 50.6 m-70 -70.53 -27.69 64.35 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.807 -0.633 . . . . 1.26 111.205 -179.779 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 617' ' ' SER . . . . . . . . . . . . . 15.9 t -65.26 -33.11 75.21 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.265 -0.425 . . . . 1.18 110.544 178.261 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 618' ' ' GLN . . . . . . . . . . . . . 82.1 mm-40 71.64 -61.9 0.47 Allowed 'General case' 0 N--CA 1.467 0.383 0 O-C-N 123.885 0.74 . . . . 4.68 110.563 -179.666 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 619' ' ' ARG . . . . . . . . . . . . . 83.2 mtp180 -123.24 143.58 49.95 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 109.257 -0.646 . . . . 7.77 109.257 176.104 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 620' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -105.99 31.95 4.73 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 121.138 0.494 . . . . 7.92 111.114 -177.464 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 621' ' ' ARG . . . . . . . . . . . . . 51.2 ttp180 . . . . . 0 C--O 1.247 0.943 0 CA-C-N 115.144 -0.934 . . . . 11.0 109.962 -179.731 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 1' ' ' ADN . . . . . 0.495 " H4'" " O5'" ' B' ' 2' ' ' ' U' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 2' ' ' ' U' . . . . . 0.495 " O5'" " H4'" ' B' ' 1' ' ' ADN . . . . . . . . 0 O5'--C5' 1.425 -0.965 0 C3'-C2'-C1' 100.408 -1.213 . 0.0 '__' . 2.99 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 3' ' ' ' C' . . . . . 0.652 " H2'" ' HD3' ' A' ' 595' ' ' ARG . . . . . . . . 0 O5'--C5' 1.427 -0.838 0 C4'-C3'-C2' 104.177 1.477 . 0.0 OUTLIER . 1.58 . . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 4' ' ' ' U' . . . . . 0.606 ' O2 ' ' HE2' ' A' ' 602' ' ' LYS . . . . . . . . 0 O5'--C5' 1.424 -0.993 0 C4'-C3'-C2' 104.202 1.502 . 0.0 OUTLIER . 1.15 . . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 5' ' ' ' U' . . . . . 0.654 ' O4 ' ' HA ' ' A' ' 601' ' ' LEU . . . . . . . . 0 O5'--C5' 1.424 -0.975 0 C3'-C2'-C1' 99.773 -1.919 . 0.0 OUTLIER gamma 1.33 . . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 6' ' ' ' A' . . . . . 0.407 ' C2 ' " H3'" ' B' ' 5' ' ' ' U' . . . . . . . . 0 O5'--C5' 1.43 -0.643 0 P-O3'-C3' 121.088 1.156 . 0.0 OUTLIER gamma 4.23 . . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 510' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.775 0 N-CA-C 111.921 -0.472 . . . . 8.88 111.921 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 511' ' ' ALA . . . . . . . . . . . . . . . -81.92 125.52 30.84 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.601 0.239 . . . . 6.64 110.785 -179.592 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 512' ' ' MET . . . . . . . . . . . . . 26.2 ptm -147.51 145.45 29.12 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.307 -0.406 . . . . 6.33 110.401 -179.901 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 513' ' ' ALA . . . . . . . . . . . . . . . 68.38 -77.95 0.05 OUTLIER 'General case' 0 N--CA 1.466 0.338 0 O-C-N 123.993 0.808 . . . . 4.2 111.893 179.755 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 514' ' ' GLN . . . . . . . . . . . . . 46.1 mt-30 -137.36 177.04 8.17 Favored 'General case' 0 C--N 1.309 -1.192 0 CA-C-N 115.327 -0.851 . . . . 2.88 111.028 -178.899 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 515' ' ' ARG . . . . . . . . . . . . . 51.5 mtm180 -75.04 -65.7 0.85 Allowed 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.17 -0.468 . . . . 4.0 110.952 179.381 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 516' ' ' LYS . . . . . . . . . . . . . 73.2 mmtt 55.3 75.34 0.32 Allowed 'General case' 0 N--CA 1.465 0.284 0 CA-C-N 115.802 -0.635 . . . . 1.89 110.566 -178.152 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 517' ' ' GLY . . . . . . . . . . . . . . . -161.78 -75.49 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.36 0 N-CA-C 111.267 -0.733 . . . . 2.04 111.267 178.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 518' ' ' ALA . . . . . . . . . . . . . . . -86.37 51.68 2.29 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.682 0.753 . . . . 1.75 109.237 172.914 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 519' ' ' GLY . . . . . . . . . . . . . . . 139.95 106.0 0.65 Allowed Glycine 0 N--CA 1.443 -0.85 0 CA-C-N 114.833 -1.076 . . . . 0.67 110.653 -171.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 520' ' ' ARG . . . . . . . . . . . . . 16.9 mtm-85 -126.64 134.28 50.79 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.077 0.465 . . . . 2.22 110.929 179.026 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 521' ' ' VAL . . . . . 0.757 HG13 HD21 ' A' ' 599' ' ' LEU . 85.9 t -117.74 121.14 66.72 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.828 0 CA-C-N 115.708 -0.678 . . . . 0.32 109.894 165.155 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 522' ' ' VAL . . . . . 0.547 ' HB ' ' O ' ' A' ' 561' ' ' LEU . 27.0 t -120.12 121.97 67.2 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.87 0 N-CA-C 107.725 -1.213 . . . . 0.22 107.725 177.225 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 523' ' ' HIS . . . . . 0.423 ' HE2' ' HB3' ' A' ' 558' ' ' GLN . 37.1 t-80 -105.28 132.23 51.74 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-O 121.268 0.556 . . . . 0.44 111.008 -171.047 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 524' ' ' ILE . . . . . 0.473 HD11 HD22 ' A' ' 561' ' ' LEU . 28.0 mt -113.67 141.3 30.1 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.844 0 N-CA-C 108.594 -0.891 . . . . 0.19 108.594 177.523 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 525' ' ' CYS . . . . . 0.472 ' O ' ' HB2' ' A' ' 526' ' ' ASN . 1.2 p -143.77 166.21 25.52 Favored 'General case' 0 C--N 1.311 -1.075 0 C-N-CA 120.555 -0.458 . . . . 1.17 111.86 -175.586 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 526' ' ' ASN . . . . . 0.472 ' HB2' ' O ' ' A' ' 525' ' ' CYS . 93.9 m-20 85.77 26.47 0.06 Allowed 'General case' 0 N--CA 1.469 0.519 0 O-C-N 124.934 1.396 . . . . 0.26 110.409 178.158 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 527' ' ' LEU . . . . . 0.475 ' HB3' ' SG ' ' A' ' 532' ' ' CYS . 83.6 mt -85.4 124.79 71.2 Favored Pre-proline 0 C--N 1.322 -0.606 0 N-CA-C 108.794 -0.817 . . . . 0.25 108.794 178.9 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 528' ' ' PRO . . . . . 0.418 ' HD3' ' HA ' ' A' ' 527' ' ' LEU . 8.4 Cg_exo -70.5 134.76 27.13 Favored 'Trans proline' 0 N--CA 1.458 -0.606 0 C-N-CA 121.438 1.426 . . . . 0.38 111.861 -178.438 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 529' ' ' GLU . . . . . . . . . . . . . 28.7 tt0 -64.6 130.77 44.89 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.666 -0.697 . . . . 1.6 109.86 178.092 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 530' ' ' GLY . . . . . . . . . . . . . . . 89.95 4.07 72.65 Favored Glycine 0 N--CA 1.447 -0.591 0 C-N-CA 119.999 -1.096 . . . . 0.48 111.22 -173.319 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 531' ' ' SER . . . . . . . . . . . . . 16.6 m -143.9 5.9 1.36 Allowed 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.133 0.492 . . . . 1.08 110.015 -176.324 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 532' ' ' CYS . . . . . 0.475 ' SG ' ' HB3' ' A' ' 527' ' ' LEU . 56.0 m -91.76 88.9 6.86 Favored 'General case' 0 CA--C 1.513 -0.452 0 N-CA-C 109.023 -0.732 . . . . 0.25 109.023 -179.729 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 533' ' ' THR . . . . . 0.496 ' O ' HG23 ' A' ' 537' ' ' VAL . 32.2 p -99.67 152.24 20.3 Favored 'General case' 0 C--N 1.317 -0.839 0 C-N-CA 119.672 -0.811 . . . . 0.35 108.932 -179.458 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 534' ' ' GLU . . . . . 0.504 ' N ' HD11 ' A' ' 552' ' ' LEU . 41.4 mt-10 -65.83 -35.01 79.47 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 108.959 -0.756 . . . . 1.64 108.959 178.074 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 535' ' ' ASN . . . . . . . . . . . . . 6.0 m-20 -63.96 -46.69 83.52 Favored 'General case' 0 C--O 1.213 -0.852 0 CA-C-N 114.76 -1.109 . . . . 1.82 111.582 -178.768 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 536' ' ' ASP . . . . . . . . . . . . . 16.9 m-20 -69.05 -44.92 71.66 Favored 'General case' 0 N--CA 1.472 0.668 0 CA-C-N 118.505 0.593 . . . . 0.61 111.479 -173.645 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 537' ' ' VAL . . . . . 0.496 HG23 ' O ' ' A' ' 533' ' ' THR . 38.5 t -60.07 -47.65 91.06 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.729 0 CA-C-N 115.048 -0.978 . . . . 0.15 109.844 -179.271 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 538' ' ' ILE . . . . . 0.666 HD11 ' CG ' ' A' ' 550' ' ' TYR . 75.5 mt -68.04 -33.78 63.02 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.82 0 CA-C-N 115.015 -0.993 . . . . 0.23 111.331 176.555 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 539' ' ' ASN . . . . . 0.495 ' HA ' HD11 ' A' ' 615' ' ' ILE . 9.6 m120 -59.01 -26.37 64.49 Favored 'General case' 0 CA--C 1.513 -0.465 0 O-C-N 122.342 -0.224 . . . . 0.25 110.555 176.542 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 540' ' ' LEU . . . . . 0.484 HD11 HD12 ' A' ' 588' ' ' LEU . 85.2 mt -75.0 -41.03 60.29 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 109.865 -0.42 . . . . 0.27 109.865 173.526 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 541' ' ' GLY . . . . . 0.508 ' HA3' HD21 ' A' ' 561' ' ' LEU . . . -67.42 -52.73 29.04 Favored Glycine 0 CA--C 1.524 0.653 0 N-CA-C 115.453 0.941 . . . . 0.19 115.453 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 542' ' ' LEU . . . . . 0.566 ' HA ' ' O ' ' A' ' 545' ' ' GLY . 45.4 mt -56.19 -45.19 99.94 Favored Pre-proline 0 C--N 1.321 -0.669 0 N-CA-C 115.208 1.559 . . . . 0.2 115.208 -167.61 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 543' ' ' PRO . . . . . 0.402 ' HG3' HD13 ' A' ' 615' ' ' ILE . 50.1 Cg_exo -59.9 -26.64 82.91 Favored 'Trans proline' 0 C--N 1.346 0.445 0 C-N-CA 122.036 1.824 . . . . 0.23 113.169 -178.651 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 544' ' ' PHE . . . . . 0.436 ' HB2' ' HE2' ' A' ' 572' ' ' MET . 99.7 m-85 -99.89 -16.81 17.88 Favored 'General case' 0 C--N 1.332 -0.166 0 C-N-CA 120.947 -0.301 . . . . 0.33 111.54 177.753 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 545' ' ' GLY . . . . . 0.566 ' O ' ' HA ' ' A' ' 542' ' ' LEU . . . -178.69 151.87 10.82 Favored Glycine 0 C--O 1.226 -0.394 0 C-N-CA 120.595 -0.812 . . . . 0.44 112.261 179.196 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 546' ' ' LYS . . . . . . . . . . . . . 40.4 ttmt -66.27 128.0 34.41 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.97 0.414 . . . . 2.07 110.688 -178.626 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 547' ' ' VAL . . . . . 0.579 ' HB ' HG11 ' A' ' 608' ' ' VAL . 70.8 t -90.24 116.55 31.79 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-N 115.862 -0.608 . . . . 0.2 110.918 -179.218 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 548' ' ' THR . . . . . . . . . . . . . 26.0 p -95.04 -34.81 12.18 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.049 -0.523 . . . . 0.31 111.876 -178.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 549' ' ' ASN . . . . . 0.47 ' HB2' ' HB2' ' A' ' 562' ' ' GLU . 16.0 m120 -143.35 156.4 44.68 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.214 -0.448 . . . . 1.26 110.366 -177.845 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 550' ' ' TYR . . . . . 0.666 ' CG ' HD11 ' A' ' 538' ' ' ILE . 3.7 p90 -160.55 152.1 19.55 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.117 -0.492 . . . . 0.31 109.909 -177.61 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 551' ' ' ILE . . . . . 0.557 HG23 ' C2 ' ' B' ' 5' ' ' ' U' . 67.0 mt -144.92 127.13 9.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 N-CA-C 108.592 -0.892 . . . . 0.22 108.592 -177.314 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 552' ' ' LEU . . . . . 0.504 HD11 ' N ' ' A' ' 534' ' ' GLU . 21.9 mt -107.23 123.25 48.02 Favored 'General case' 0 C--N 1.318 -0.796 0 C-N-CA 120.159 -0.616 . . . . 0.43 111.197 -178.856 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 553' ' ' MET . . . . . 0.447 ' HE1' ' HB2' ' A' ' 558' ' ' GLN . 9.9 mtp -110.07 79.24 1.19 Allowed 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 108.876 -0.787 . . . . 1.03 108.876 178.745 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 554' ' ' LYS . . . . . 0.469 ' HD2' ' HB2' ' A' ' 532' ' ' CYS . 22.6 mmtp -54.63 -28.76 49.15 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.24 -0.891 . . . . 1.03 112.747 175.112 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 555' ' ' SER . . . . . . . . . . . . . 63.3 p -69.13 -43.55 74.15 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 120.903 0.382 . . . . 0.51 111.169 -173.184 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 556' ' ' THR . . . . . . . . . . . . . 51.1 p -100.76 4.14 42.75 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 112.227 0.454 . . . . 0.45 112.227 -176.149 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 557' ' ' ASN . . . . . . . . . . . . . 81.4 m-20 59.68 43.19 15.9 Favored 'General case' 0 N--CA 1.468 0.456 0 CA-C-O 121.709 0.766 . . . . 1.28 110.141 -175.425 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 558' ' ' GLN . . . . . 0.447 ' HB2' ' HE1' ' A' ' 553' ' ' MET . 79.4 mt-30 -137.03 167.74 20.93 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 114.99 -1.005 . . . . 0.84 109.71 -177.038 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 559' ' ' ALA . . . . . . . . . . . . . . . -159.13 165.06 34.63 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.054 0.454 . . . . 0.16 111.379 176.729 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 560' ' ' PHE . . . . . 0.511 ' HB2' ' HB ' ' A' ' 551' ' ' ILE . 86.3 m-85 -119.59 146.72 45.26 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.226 -0.443 . . . . 0.35 110.89 176.067 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 561' ' ' LEU . . . . . 0.547 ' O ' ' HB ' ' A' ' 522' ' ' VAL . 51.3 tp -136.88 119.31 15.81 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.744 -0.662 . . . . 0.2 110.45 -178.091 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 562' ' ' GLU . . . . . 0.47 ' HB2' ' HB2' ' A' ' 549' ' ' ASN . 0.0 OUTLIER -102.96 136.7 42.3 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.249 0.547 . . . . 2.09 110.212 176.925 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 563' ' ' MET . . . . . 0.565 ' SD ' ' HA ' ' A' ' 569' ' ' ALA . 32.2 mtt -120.54 163.61 17.72 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 115.322 -0.854 . . . . 0.39 109.583 -171.876 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 564' ' ' ALA . . . . . . . . . . . . . . . -62.29 -43.02 99.79 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 118.308 0.504 . . . . 0.5 111.708 -174.355 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 565' ' ' TYR . . . . . . . . . . . . . 64.1 m-85 -136.08 158.87 43.37 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.193 -0.458 . . . . 1.15 110.583 -177.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 566' ' ' THR . . . . . . . . . . . . . 15.4 t -66.29 -26.9 67.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.976 -0.556 . . . . 0.57 110.816 -179.665 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 567' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -56.67 -31.77 64.75 Favored 'General case' 0 C--O 1.231 0.131 0 CA-C-N 116.101 -0.499 . . . . 0.89 110.739 176.158 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 568' ' ' ALA . . . . . 0.656 ' O ' ' HG3' ' A' ' 572' ' ' MET . . . -73.75 -41.91 61.85 Favored 'General case' 0 N--CA 1.449 -0.486 0 CA-C-N 116.124 -0.489 . . . . 0.26 110.075 -179.662 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 569' ' ' ALA . . . . . 0.565 ' HA ' ' SD ' ' A' ' 563' ' ' MET . . . -64.55 -45.34 87.54 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.033 -0.531 . . . . 0.24 111.263 -175.844 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 570' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -66.14 -35.93 81.79 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.17 -0.468 . . . . 1.24 110.202 -179.258 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 571' ' ' ALA . . . . . . . . . . . . . . . -67.46 -43.95 79.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.782 -0.644 . . . . 0.31 110.979 -179.635 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 572' ' ' MET . . . . . 0.656 ' HG3' ' O ' ' A' ' 568' ' ' ALA . 29.1 mtt -67.72 -42.95 81.11 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.469 -0.332 . . . . 0.47 110.82 -178.41 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 573' ' ' VAL . . . . . 0.579 ' O ' ' HG3' ' A' ' 577' ' ' GLN . 79.0 t -58.39 -47.06 88.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 N-CA-C 110.058 -0.349 . . . . 0.34 110.058 179.662 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 574' ' ' GLN . . . . . . . . . . . . . 86.5 mm-40 -61.55 -37.74 84.89 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.418 -0.356 . . . . 2.09 111.217 179.07 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 575' ' ' TYR . . . . . . . . . . . . . 83.5 t80 -68.98 -53.42 20.77 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.262 -0.426 . . . . 0.48 110.96 -178.275 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 576' ' ' TYR . . . . . 0.534 ' HD2' ' O ' ' A' ' 572' ' ' MET . 97.3 m-85 -73.53 -13.41 61.03 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 112.872 0.693 . . . . 0.36 112.872 -174.829 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 577' ' ' GLN . . . . . 0.579 ' HG3' ' O ' ' A' ' 573' ' ' VAL . 25.5 mt-30 -71.77 -42.87 66.65 Favored 'General case' 0 C--N 1.324 -0.506 0 C-N-CA 120.423 -0.511 . . . . 1.89 109.844 172.657 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 578' ' ' GLU . . . . . . . . . . . . . 10.2 mm-40 -88.53 -38.27 15.06 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.009 -0.541 . . . . 2.14 111.031 -178.848 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 579' ' ' LYS . . . . . . . . . . . . . 56.4 mtpt -129.26 87.55 53.45 Favored Pre-proline 0 C--N 1.327 -0.407 0 CA-C-O 120.797 0.332 . . . . 2.46 110.501 176.625 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 580' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_endo -70.51 161.39 46.2 Favored 'Trans proline' 0 N--CA 1.463 -0.277 0 C-N-CA 122.626 2.217 . . . . 0.37 112.227 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 581' ' ' ALA . . . . . 0.449 ' O ' ' HG ' ' A' ' 588' ' ' LEU . . . -92.68 137.25 32.53 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 109.101 -0.703 . . . . 0.27 109.101 177.507 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 582' ' ' ILE . . . . . . . . . . . . . 51.3 mt -104.3 124.16 58.6 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.735 0 CA-C-O 120.886 0.374 . . . . 0.51 110.981 -176.54 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 583' ' ' ILE . . . . . . . . . . . . . 29.5 mm -125.47 111.65 28.15 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 N-CA-C 108.89 -0.781 . . . . 0.51 108.89 173.372 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 584' ' ' ASN . . . . . . . . . . . . . 95.1 m-20 57.6 34.42 24.51 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-O 121.407 0.622 . . . . 1.1 110.542 -178.631 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 585' ' ' GLY . . . . . . . . . . . . . . . 84.75 6.0 85.87 Favored Glycine 0 N--CA 1.445 -0.758 0 CA-C-N 115.48 -0.782 . . . . 0.44 113.412 177.558 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 586' ' ' GLU . . . . . . . . . . . . . 37.5 mm-40 -101.24 124.62 47.23 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 117.132 0.466 . . . . 1.79 110.423 177.761 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 587' ' ' LYS . . . . . . . . . . . . . 66.9 mttm -76.42 119.56 20.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.126 -0.488 . . . . 1.67 110.838 173.747 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 588' ' ' LEU . . . . . 0.484 HD12 HD11 ' A' ' 540' ' ' LEU . 46.9 mt -83.38 138.63 33.42 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.234 -0.439 . . . . 0.24 111.023 -178.654 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 589' ' ' LEU . . . . . . . . . . . . . 65.3 tp -113.08 114.77 27.3 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.859 -0.61 . . . . 0.38 110.834 -179.432 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 590' ' ' ILE . . . . . 0.495 HD12 ' CD2' ' A' ' 576' ' ' TYR . 22.7 mt -102.81 125.21 57.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 N-CA-C 110.142 -0.318 . . . . 0.26 110.142 175.084 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 591' ' ' ARG . . . . . . . . . . . . . 61.5 mtp180 -147.38 165.4 30.32 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 109.835 -0.432 . . . . 2.62 109.835 -176.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 592' ' ' MET . . . . . . . . . . . . . 62.6 mtt -82.42 143.84 30.9 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 109.691 -0.485 . . . . 0.34 109.691 177.579 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 593' ' ' SER . . . . . . . . . . . . . 47.6 t -85.55 137.8 32.63 Favored 'General case' 0 C--O 1.236 0.382 0 CA-C-O 121.062 0.458 . . . . 1.37 111.412 -176.149 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 594' ' ' THR . . . . . . . . . . . . . 23.2 p -91.23 -16.4 27.7 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 114.843 -1.072 . . . . 0.38 111.914 -179.227 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 595' ' ' ARG . . . . . 0.652 ' HD3' " H2'" ' B' ' 3' ' ' ' C' . 64.5 mtp180 -100.68 -28.03 13.06 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 112.731 0.641 . . . . 2.75 112.731 -168.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 596' ' ' TYR . . . . . . . . . . . . . 90.7 m-85 -127.43 147.64 50.29 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 121.068 0.461 . . . . 0.65 111.685 -177.297 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 597' ' ' LYS . . . . . 0.483 ' N ' ' HD2' ' A' ' 597' ' ' LYS . 11.7 mptt -107.66 -13.9 14.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.607 -0.724 . . . . 2.18 111.828 178.826 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 598' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -143.24 150.77 39.76 Favored 'General case' 0 C--N 1.326 -0.441 0 C-N-CA 120.65 -0.42 . . . . 0.95 110.968 178.7 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 599' ' ' LEU . . . . . 0.757 HD21 HG13 ' A' ' 521' ' ' VAL . 37.9 mt -102.41 122.75 44.91 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.594 -0.73 . . . . 0.45 111.462 177.101 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 600' ' ' GLN . . . . . . . . . . . . . 24.7 tt0 -103.71 123.57 47.27 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.361 -0.836 . . . . 1.52 110.441 178.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 601' ' ' LEU . . . . . 0.654 ' HA ' ' O4 ' ' B' ' 5' ' ' ' U' . 54.9 mt -82.98 97.87 8.95 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.942 0.401 . . . . 0.46 111.304 179.849 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 602' ' ' LYS . . . . . 0.606 ' HE2' ' O2 ' ' B' ' 4' ' ' ' U' . 52.2 mtmt -81.82 -16.61 50.29 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.15 0.5 . . . . 1.73 110.298 173.833 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 603' ' ' LYS . . . . . . . . . . . . . 34.4 mmtp -117.99 153.12 51.04 Favored Pre-proline 0 C--N 1.324 -0.541 0 CA-C-N 115.981 -0.554 . . . . 1.69 110.062 -178.452 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 604' ' ' PRO . . . . . . . . . . . . . 29.8 Cg_endo -63.24 148.78 92.74 Favored 'Trans proline' 0 C--N 1.346 0.43 0 C-N-CA 122.707 2.271 . . . . 1.21 112.276 -179.758 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 605' ' ' GLY . . . . . . . . . . . . . . . -117.26 128.86 8.05 Favored Glycine 0 N--CA 1.439 -1.165 0 C-N-CA 120.802 -0.713 . . . . 1.23 112.271 -177.913 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 606' ' ' LYS . . . . . . . . . . . . . 48.3 mtmt -72.14 156.54 39.07 Favored 'General case' 0 C--N 1.317 -0.835 0 N-CA-C 108.85 -0.796 . . . . 3.47 108.85 174.332 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 607' ' ' ASN . . . . . . . . . . . . . 49.0 t30 -58.33 119.97 7.89 Favored 'General case' 0 C--N 1.327 -0.39 0 C-N-CA 120.514 -0.474 . . . . 1.33 109.847 173.823 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 608' ' ' VAL . . . . . 0.603 HG13 HG21 ' A' ' 538' ' ' ILE . 72.7 t -83.19 -21.04 9.06 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.713 0 CA-C-N 115.801 -0.636 . . . . 0.3 110.635 -175.241 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 609' ' ' ALA . . . . . . . . . . . . . . . -62.09 -33.05 73.7 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.303 0.573 . . . . 0.44 110.364 172.829 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 610' ' ' ALA . . . . . . . . . . . . . . . -66.02 -29.66 70.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.808 -0.633 . . . . 0.4 109.868 176.389 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 611' ' ' ILE . . . . . 0.403 ' O ' ' HB2' ' A' ' 614' ' ' ASP . 74.5 mt -70.6 -30.11 41.11 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 115.607 -0.724 . . . . 0.25 109.466 178.602 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 612' ' ' ILE . . . . . 0.443 ' CG1' HD13 ' A' ' 542' ' ' LEU . 69.8 mt -60.92 -39.49 82.21 Favored 'Isoleucine or valine' 0 C--O 1.235 0.296 0 CA-C-O 121.218 0.532 . . . . 0.31 109.721 171.459 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 613' ' ' GLN . . . . . . . . . . . . . 30.5 mm-40 -63.95 -31.51 72.71 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.719 -0.673 . . . . 2.31 110.303 177.326 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 614' ' ' ASP . . . . . 0.403 ' HB2' ' O ' ' A' ' 611' ' ' ILE . 2.8 m-20 -65.6 -45.47 83.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.793 -0.64 . . . . 1.95 110.254 177.214 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 615' ' ' ILE . . . . . 0.495 HD11 ' HA ' ' A' ' 539' ' ' ASN . 85.6 mt -62.26 -46.14 97.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 115.932 -0.577 . . . . 0.35 110.823 178.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 616' ' ' HIS . . . . . . . . . . . . . 48.7 m170 -63.27 -34.59 78.01 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.736 -0.666 . . . . 1.26 110.912 -179.822 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 617' ' ' SER . . . . . . . . . . . . . 64.8 m -69.3 -25.19 64.11 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.315 -0.402 . . . . 1.18 110.721 176.601 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 618' ' ' GLN . . . . . . . . . . . . . 78.6 mt-30 71.17 -73.48 0.1 Allowed 'General case' 0 N--CA 1.465 0.285 0 CA-C-N 115.68 -0.691 . . . . 4.68 111.119 178.491 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 619' ' ' ARG . . . . . . . . . . . . . 80.1 mtp180 59.05 39.77 22.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.223 0.535 . . . . 7.77 110.755 -179.676 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 620' ' ' GLU . . . . . . . . . . . . . 20.9 mm-40 -73.04 134.05 44.46 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.871 -0.604 . . . . 7.92 109.779 178.773 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 621' ' ' ARG . . . . . . . . . . . . . 81.1 mtp180 . . . . . 0 C--O 1.248 1.017 0 CA-C-O 118.752 -0.642 . . . . 11.0 110.367 -177.628 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 1' ' ' ADN . . . . . 0.565 " H3'" " O4'" ' B' ' 2' ' ' ' U' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 2' ' ' ' U' . . . . . 0.565 " O4'" " H3'" ' B' ' 1' ' ' ADN . . . . . . . . 0 O5'--C5' 1.427 -0.82 0 C4'-C3'-C2' 104.218 1.518 . 0.0 '__' . 2.99 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 3' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.932 0 C4'-C3'-C2' 104.59 1.89 . 0.0 OUTLIER gamma 1.58 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 4' ' ' ' U' . . . . . 0.491 " H4'" " C5'" ' B' ' 5' ' ' ' U' . . . . . . . . 0 O5'--C5' 1.425 -0.921 0 C3'-C2'-C1' 100.753 -0.829 . 0.0 OUTLIER gamma 1.15 . . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 5' ' ' ' U' . . . . . 0.781 " H4'" ' HA ' ' A' ' 553' ' ' MET . . . . . . . . 0 O5'--C5' 1.424 -0.994 0 C4'-C3'-C2' 104.568 1.868 . 0.0 OUTLIER alpha 1.33 . . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 6' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.428 -0.76 0 C3'-C2'-C1' 100.503 -1.108 . 0.0 OUTLIER gamma 4.23 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 510' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.85 0 N-CA-C 111.768 -0.533 . . . . 8.88 111.768 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 511' ' ' ALA . . . . . . . . . . . . . . . 61.55 34.89 17.63 Favored 'General case' 0 N--CA 1.463 0.222 0 C-N-CA 122.694 0.398 . . . . 6.64 111.433 178.884 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 512' ' ' MET . . . . . . . . . . . . . 49.8 ttm -104.25 -63.95 1.15 Allowed 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.248 -0.433 . . . . 6.33 110.256 179.521 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 513' ' ' ALA . . . . . . . . . . . . . . . -102.61 84.95 2.5 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.213 -0.449 . . . . 4.2 109.909 178.858 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 514' ' ' GLN . . . . . 0.417 ' HB2' ' HE3' ' A' ' 516' ' ' LYS . 47.1 mt-30 -99.88 -15.95 18.19 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.947 -0.57 . . . . 2.88 111.548 -175.88 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 515' ' ' ARG . . . . . . . . . . . . . 68.3 mtp180 65.69 79.72 0.24 Allowed 'General case' 0 N--CA 1.467 0.384 0 O-C-N 123.574 0.546 . . . . 4.0 111.38 -176.526 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 516' ' ' LYS . . . . . 0.417 ' HE3' ' HB2' ' A' ' 514' ' ' GLN . 23.4 mmtp -84.34 -8.24 59.06 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.7 -0.682 . . . . 1.89 111.032 -178.609 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 517' ' ' GLY . . . . . . . . . . . . . . . -60.24 109.31 2.21 Favored Glycine 0 N--CA 1.449 -0.436 0 CA-C-N 115.803 -0.635 . . . . 2.04 112.768 -177.835 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 518' ' ' ALA . . . . . . . . . . . . . . . 58.64 27.68 16.13 Favored 'General case' 0 N--CA 1.464 0.241 0 C-N-CA 123.099 0.56 . . . . 1.75 111.772 178.888 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 519' ' ' GLY . . . . . . . . . . . . . . . -172.57 94.79 0.1 Allowed Glycine 0 N--CA 1.445 -0.735 0 C-N-CA 120.627 -0.796 . . . . 0.67 111.94 -179.884 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 520' ' ' ARG . . . . . . . . . . . . . 8.6 mtm-85 -115.6 135.74 53.77 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 121.075 0.464 . . . . 2.22 110.54 178.552 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 521' ' ' VAL . . . . . 0.648 HG13 HD21 ' A' ' 599' ' ' LEU . 86.2 t -117.36 121.6 68.0 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.007 0 CA-C-N 115.664 -0.698 . . . . 0.32 110.168 169.355 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 522' ' ' VAL . . . . . 0.468 ' HB ' ' O ' ' A' ' 561' ' ' LEU . 23.8 t -120.31 121.03 64.61 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.856 0 N-CA-C 107.724 -1.213 . . . . 0.22 107.724 178.306 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 523' ' ' HIS . . . . . 0.464 ' HB2' ' OG ' ' A' ' 593' ' ' SER . 55.1 t-80 -105.75 134.62 48.58 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-O 121.163 0.506 . . . . 0.44 110.747 -172.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 524' ' ' ILE . . . . . 0.482 HD11 HD22 ' A' ' 561' ' ' LEU . 28.1 mt -113.68 140.07 35.97 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.877 0 N-CA-C 108.431 -0.951 . . . . 0.19 108.431 177.488 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 525' ' ' CYS . . . . . 0.539 ' SG ' ' HB3' ' A' ' 589' ' ' LEU . 4.1 p -140.0 166.22 25.23 Favored 'General case' 0 C--N 1.314 -0.943 0 C-N-CA 120.503 -0.479 . . . . 1.17 111.669 -175.921 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 526' ' ' ASN . . . . . 0.486 ' HB2' ' O ' ' A' ' 525' ' ' CYS . 92.9 m-20 86.73 28.0 0.04 OUTLIER 'General case' 0 N--CA 1.471 0.593 0 O-C-N 124.991 1.432 . . . . 0.26 109.984 177.316 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 527' ' ' LEU . . . . . 0.559 ' HB3' ' SG ' ' A' ' 532' ' ' CYS . 81.0 mt -90.1 123.77 65.05 Favored Pre-proline 0 C--N 1.323 -0.57 0 CA-C-N 115.274 -0.875 . . . . 0.25 109.057 177.938 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 528' ' ' PRO . . . . . 0.427 ' HD3' ' HA ' ' A' ' 527' ' ' LEU . 8.3 Cg_exo -73.05 134.55 21.55 Favored 'Trans proline' 0 N--CA 1.46 -0.489 0 C-N-CA 121.733 1.622 . . . . 0.38 111.978 179.773 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 529' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -65.53 129.34 39.4 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 109.348 -0.612 . . . . 1.6 109.348 178.249 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 530' ' ' GLY . . . . . . . . . . . . . . . 94.88 4.2 61.79 Favored Glycine 0 N--CA 1.448 -0.523 0 C-N-CA 120.176 -1.011 . . . . 0.48 110.95 -172.569 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 531' ' ' SER . . . . . . . . . . . . . 64.8 m -150.36 9.81 0.65 Allowed 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.13 0.49 . . . . 1.08 110.309 -178.499 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 532' ' ' CYS . . . . . 0.559 ' SG ' ' HB3' ' A' ' 527' ' ' LEU . 41.4 m -92.21 85.95 5.61 Favored 'General case' 0 CA--C 1.513 -0.449 0 N-CA-C 108.51 -0.922 . . . . 0.25 108.51 177.115 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 533' ' ' THR . . . . . 0.466 ' O ' HG23 ' A' ' 537' ' ' VAL . 28.3 p -96.19 152.91 18.12 Favored 'General case' 0 N--CA 1.441 -0.89 0 C-N-CA 119.601 -0.84 . . . . 0.35 108.848 -178.246 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 534' ' ' GLU . . . . . 0.518 ' HA ' HD11 ' A' ' 552' ' ' LEU . 43.9 mt-10 -65.11 -34.79 79.24 Favored 'General case' 0 C--N 1.317 -0.837 0 N-CA-C 108.671 -0.863 . . . . 1.64 108.671 176.562 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 535' ' ' ASN . . . . . . . . . . . . . 4.6 m-20 -63.94 -48.29 77.11 Favored 'General case' 0 C--O 1.211 -0.964 0 CA-C-N 114.629 -1.169 . . . . 1.82 111.513 -176.68 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 536' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -69.88 -45.28 68.01 Favored 'General case' 0 N--CA 1.475 0.78 0 CA-C-N 118.604 0.638 . . . . 0.61 111.411 -173.878 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 537' ' ' VAL . . . . . 0.466 HG23 ' O ' ' A' ' 533' ' ' THR . 39.2 t -59.77 -47.89 89.64 Favored 'Isoleucine or valine' 0 C--O 1.243 0.712 0 CA-C-O 122.269 1.033 . . . . 0.15 110.039 -179.453 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 538' ' ' ILE . . . . . 0.621 HG21 HG13 ' A' ' 608' ' ' VAL . 72.6 mt -68.51 -32.25 54.54 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.904 0 CA-C-N 115.013 -0.994 . . . . 0.23 111.409 176.129 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 539' ' ' ASN . . . . . 0.473 ' HA ' HD11 ' A' ' 615' ' ' ILE . 10.1 m120 -57.38 -27.88 62.7 Favored 'General case' 0 CA--C 1.513 -0.479 0 N-CA-C 109.98 -0.378 . . . . 0.25 109.98 175.495 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 540' ' ' LEU . . . . . 0.548 HD11 HD12 ' A' ' 588' ' ' LEU . 76.6 mt -75.35 -41.61 56.19 Favored 'General case' 0 C--N 1.32 -0.675 0 C-N-CA 120.722 -0.391 . . . . 0.27 109.993 175.366 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 541' ' ' GLY . . . . . 0.595 ' HA2' ' SD ' ' A' ' 572' ' ' MET . . . -67.3 -51.87 35.12 Favored Glycine 0 CA--C 1.528 0.851 0 N-CA-C 116.034 1.174 . . . . 0.19 116.034 -179.02 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 542' ' ' LEU . . . . . 0.539 ' HB2' ' CD1' ' A' ' 615' ' ' ILE . 62.1 mt -59.98 -40.91 82.01 Favored Pre-proline 0 C--N 1.318 -0.774 0 N-CA-C 115.443 1.645 . . . . 0.2 115.443 -167.768 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 543' ' ' PRO . . . . . 0.411 ' HG3' HG21 ' A' ' 615' ' ' ILE . 50.3 Cg_exo -60.11 -22.96 71.92 Favored 'Trans proline' 0 CA--C 1.534 0.512 0 C-N-CA 121.787 1.658 . . . . 0.23 113.574 -178.656 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 544' ' ' PHE . . . . . . . . . . . . . 92.6 m-85 -104.41 -13.52 16.05 Favored 'General case' 0 C--O 1.234 0.262 0 O-C-N 122.07 -0.394 . . . . 0.33 111.941 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 545' ' ' GLY . . . . . 0.504 ' O ' ' HA ' ' A' ' 542' ' ' LEU . . . -178.04 -174.63 44.52 Favored Glycine 0 C--O 1.225 -0.453 0 C-N-CA 120.573 -0.822 . . . . 0.44 112.292 -177.29 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 546' ' ' LYS . . . . . . . . . . . . . 63.2 tttp -95.7 122.97 39.03 Favored 'General case' 0 C--N 1.321 -0.659 0 O-C-N 122.304 -0.527 . . . . 2.07 110.107 -177.443 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 547' ' ' VAL . . . . . 0.59 ' HB ' HG11 ' A' ' 608' ' ' VAL . 77.2 t -85.18 114.26 24.98 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-O 120.915 0.388 . . . . 0.2 109.973 175.72 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 548' ' ' THR . . . . . . . . . . . . . 25.0 p -98.04 -35.02 10.57 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.993 -0.548 . . . . 0.31 111.598 179.384 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 549' ' ' ASN . . . . . 0.426 ' HB2' ' CB ' ' A' ' 562' ' ' GLU . 17.0 m120 -141.87 153.58 44.54 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.082 -0.508 . . . . 1.26 109.751 -178.917 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 550' ' ' TYR . . . . . 0.594 ' CG ' HD11 ' A' ' 538' ' ' ILE . 3.3 p90 -157.03 151.93 25.9 Favored 'General case' 0 C--N 1.318 -0.761 0 N-CA-C 109.451 -0.574 . . . . 0.31 109.451 -178.692 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 551' ' ' ILE . . . . . 0.665 HG23 ' C2 ' ' B' ' 5' ' ' ' U' . 66.7 mt -141.35 123.73 14.67 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 N-CA-C 108.349 -0.982 . . . . 0.22 108.349 -177.4 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 552' ' ' LEU . . . . . 0.518 HD11 ' HA ' ' A' ' 534' ' ' GLU . 19.7 mt -107.23 119.24 38.84 Favored 'General case' 0 C--N 1.315 -0.897 0 C-N-CA 120.192 -0.603 . . . . 0.43 111.449 -177.493 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 553' ' ' MET . . . . . 0.781 ' HA ' " H4'" ' B' ' 5' ' ' ' U' . 22.4 mtp -109.94 79.51 1.22 Allowed 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 108.708 -0.849 . . . . 1.03 108.708 -178.09 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 554' ' ' LYS . . . . . 0.539 ' HD2' ' HB2' ' A' ' 532' ' ' CYS . 20.7 mmtp -53.98 -31.13 49.86 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 114.824 -1.08 . . . . 1.03 112.861 176.062 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 555' ' ' SER . . . . . . . . . . . . . 66.8 p -70.14 -45.34 66.99 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 120.899 0.38 . . . . 0.51 111.63 -172.797 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 556' ' ' THR . . . . . 0.468 ' O ' ' HG3' ' A' ' 558' ' ' GLN . 44.8 p -98.72 6.94 46.62 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.398 -0.365 . . . . 0.45 111.797 -174.508 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 557' ' ' ASN . . . . . . . . . . . . . 18.7 m120 59.95 39.8 19.71 Favored 'General case' 0 C--O 1.237 0.426 0 CA-C-O 121.642 0.734 . . . . 1.28 110.252 -177.828 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 558' ' ' GLN . . . . . 0.468 ' HG3' ' O ' ' A' ' 556' ' ' THR . 41.9 mt-30 -135.36 166.39 23.25 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.128 -0.942 . . . . 0.84 109.972 -176.033 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 559' ' ' ALA . . . . . . . . . . . . . . . -159.1 164.19 35.53 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.922 0.392 . . . . 0.16 111.177 174.807 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 560' ' ' PHE . . . . . 0.559 ' HB2' ' HB ' ' A' ' 551' ' ' ILE . 93.9 m-85 -120.0 148.11 43.96 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.235 -0.439 . . . . 0.35 110.619 176.277 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 561' ' ' LEU . . . . . 0.482 HD22 HD11 ' A' ' 524' ' ' ILE . 50.2 tp -136.9 118.99 15.41 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.769 -0.65 . . . . 0.2 110.047 -178.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 562' ' ' GLU . . . . . 0.426 ' CB ' ' HB2' ' A' ' 549' ' ' ASN . 0.2 OUTLIER -100.93 135.9 41.65 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.234 0.54 . . . . 2.09 109.99 177.586 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 563' ' ' MET . . . . . 0.663 ' SD ' ' HA ' ' A' ' 569' ' ' ALA . 34.0 mtt -124.15 142.37 51.28 Favored 'General case' 0 C--N 1.315 -0.913 0 CA-C-N 115.154 -0.93 . . . . 0.39 108.789 -172.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 564' ' ' ALA . . . . . . . . . . . . . . . -59.88 -26.86 66.21 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 112.69 0.626 . . . . 0.5 112.69 -168.683 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 565' ' ' TYR . . . . . . . . . . . . . 89.5 m-85 -141.2 155.7 46.02 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.208 0.528 . . . . 1.15 110.99 179.297 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 566' ' ' THR . . . . . . . . . . . . . 14.7 t -64.82 -26.89 68.53 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.278 -0.873 . . . . 0.57 110.699 -179.207 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 567' ' ' GLU . . . . . 0.425 ' HA ' ' OE1' ' A' ' 570' ' ' GLN . 6.4 pt-20 -57.91 -33.29 68.61 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-N 115.934 -0.575 . . . . 0.89 111.005 177.018 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 568' ' ' ALA . . . . . 0.668 ' O ' ' HG3' ' A' ' 572' ' ' MET . . . -73.78 -43.6 58.45 Favored 'General case' 0 N--CA 1.449 -0.495 0 CA-C-N 115.963 -0.562 . . . . 0.26 110.301 -177.669 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 569' ' ' ALA . . . . . 0.663 ' HA ' ' SD ' ' A' ' 563' ' ' MET . . . -62.02 -45.2 94.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.88 -0.6 . . . . 0.24 111.25 -175.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 570' ' ' GLN . . . . . 0.425 ' OE1' ' HA ' ' A' ' 567' ' ' GLU . 4.9 pt20 -67.54 -38.78 84.69 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.265 -0.425 . . . . 1.24 110.835 -178.261 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 571' ' ' ALA . . . . . . . . . . . . . . . -64.64 -44.25 91.06 Favored 'General case' 0 N--CA 1.453 -0.296 0 CA-C-N 116.275 -0.42 . . . . 0.31 111.185 -177.923 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 572' ' ' MET . . . . . 0.668 ' HG3' ' O ' ' A' ' 568' ' ' ALA . 26.1 mtt -68.44 -43.77 76.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.233 -0.439 . . . . 0.47 110.617 -178.24 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 573' ' ' VAL . . . . . 0.694 ' O ' ' HG2' ' A' ' 577' ' ' GLN . 71.6 t -58.68 -46.76 90.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 N-CA-C 110.049 -0.352 . . . . 0.34 110.049 178.629 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 574' ' ' GLN . . . . . . . . . . . . . 99.2 mt-30 -60.97 -37.08 81.19 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.933 0.396 . . . . 2.09 110.971 179.331 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 575' ' ' TYR . . . . . . . . . . . . . 78.3 t80 -69.45 -53.83 17.33 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.205 -0.452 . . . . 0.48 111.167 -178.485 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 576' ' ' TYR . . . . . 0.474 ' CD2' HD12 ' A' ' 590' ' ' ILE . 97.0 m-85 -76.68 -13.29 60.06 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 113.089 0.774 . . . . 0.36 113.089 -173.661 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 577' ' ' GLN . . . . . 0.694 ' HG2' ' O ' ' A' ' 573' ' ' VAL . 82.1 mm-40 -68.28 -42.03 80.13 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 109.275 -0.639 . . . . 1.89 109.275 171.821 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 578' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -88.17 -38.49 15.29 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.893 -0.594 . . . . 2.14 111.467 178.508 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 579' ' ' LYS . . . . . . . . . . . . . 62.9 mttp -130.74 84.39 58.79 Favored Pre-proline 0 C--N 1.327 -0.397 0 CA-C-O 120.7 0.286 . . . . 2.46 110.779 179.525 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 580' ' ' PRO . . . . . . . . . . . . . 48.2 Cg_endo -69.67 161.37 46.16 Favored 'Trans proline' 0 C--O 1.233 0.234 0 C-N-CA 122.845 2.363 . . . . 0.37 112.113 179.232 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 581' ' ' ALA . . . . . 0.411 ' O ' ' HG ' ' A' ' 588' ' ' LEU . . . -92.32 140.33 29.71 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.278 -0.419 . . . . 0.27 109.959 -178.251 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 582' ' ' ILE . . . . . . . . . . . . . 45.1 mt -100.14 124.41 53.59 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.769 0 CA-C-O 120.862 0.363 . . . . 0.51 111.762 -175.15 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 583' ' ' ILE . . . . . 0.417 ' CG1' HD11 ' A' ' 588' ' ' LEU . 33.2 mm -132.14 115.38 26.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 115.841 -0.618 . . . . 0.51 109.368 173.456 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 584' ' ' ASN . . . . . . . . . . . . . 83.1 m-20 56.8 33.35 22.89 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-O 121.093 0.473 . . . . 1.1 110.764 -178.294 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 585' ' ' GLY . . . . . . . . . . . . . . . 83.39 5.54 88.57 Favored Glycine 0 N--CA 1.447 -0.63 0 CA-C-N 115.761 -0.654 . . . . 0.44 113.258 176.827 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 586' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -110.68 127.92 55.49 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 117.025 0.413 . . . . 1.79 110.895 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 587' ' ' LYS . . . . . . . . . . . . . 32.2 mmtp -72.73 123.25 22.92 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.509 -0.768 . . . . 1.67 111.236 179.19 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 588' ' ' LEU . . . . . 0.548 HD12 HD11 ' A' ' 540' ' ' LEU . 47.3 mt -81.6 134.3 35.48 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 120.885 0.374 . . . . 0.24 110.598 178.907 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 589' ' ' LEU . . . . . 0.539 ' HB3' ' SG ' ' A' ' 525' ' ' CYS . 46.4 tp -112.85 113.46 25.55 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.869 -0.605 . . . . 0.38 110.896 -176.667 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 590' ' ' ILE . . . . . 0.474 HD12 ' CD2' ' A' ' 576' ' ' TYR . 17.2 mt -100.76 127.45 53.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.504 -0.316 . . . . 0.26 110.302 177.483 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 591' ' ' ARG . . . . . . . . . . . . . 18.5 mtp180 -147.36 162.61 38.62 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-N 116.407 -0.36 . . . . 2.62 110.595 -177.356 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 592' ' ' MET . . . . . . . . . . . . . 63.9 mtt -83.84 133.34 34.75 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 109.871 -0.418 . . . . 0.34 109.871 176.733 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 593' ' ' SER . . . . . 0.464 ' OG ' ' HB2' ' A' ' 523' ' ' HIS . 69.7 m -77.29 135.31 38.41 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.726 0.774 . . . . 1.37 112.366 -175.141 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 594' ' ' THR . . . . . . . . . . . . . 17.5 p -89.52 -15.89 31.95 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 114.707 -1.133 . . . . 0.38 111.624 -179.591 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 595' ' ' ARG . . . . . . . . . . . . . 60.7 mtp180 -101.65 -28.33 12.56 Favored 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 112.867 0.691 . . . . 2.75 112.867 -170.524 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 596' ' ' TYR . . . . . . . . . . . . . 71.3 m-85 -126.19 141.99 51.7 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.254 0.55 . . . . 0.65 112.225 -175.652 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 597' ' ' LYS . . . . . 0.468 ' N ' ' HD2' ' A' ' 597' ' ' LYS . 0.5 OUTLIER -110.02 -6.35 15.18 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 114.913 -1.04 . . . . 2.18 111.489 177.69 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 598' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -142.0 151.38 42.43 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.033 0.444 . . . . 0.95 110.996 -176.334 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 599' ' ' LEU . . . . . 0.648 HD21 HG13 ' A' ' 521' ' ' VAL . 54.0 mt -123.65 121.19 34.91 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.368 -0.833 . . . . 0.45 110.159 177.642 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 600' ' ' GLN . . . . . . . . . . . . . 26.9 tt0 -111.87 123.94 51.32 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 116.12 -0.491 . . . . 1.52 109.877 177.719 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 601' ' ' LEU . . . . . 0.566 ' HA ' ' O4 ' ' B' ' 5' ' ' ' U' . 48.2 mt -75.9 90.06 2.94 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.973 0.416 . . . . 0.46 110.824 -179.685 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 602' ' ' LYS . . . . . . . . . . . . . 93.9 mttt -73.77 -13.76 61.0 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.866 -0.606 . . . . 1.73 110.538 178.36 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 603' ' ' LYS . . . . . . . . . . . . . 34.7 mmtp -122.41 155.61 61.97 Favored Pre-proline 0 C--N 1.325 -0.491 0 CA-C-N 115.862 -0.608 . . . . 1.69 109.82 -179.64 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 604' ' ' PRO . . . . . . . . . . . . . 19.3 Cg_endo -59.08 141.86 98.67 Favored 'Trans proline' 0 C--N 1.348 0.506 0 C-N-CA 122.832 2.354 . . . . 1.21 112.655 179.688 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 605' ' ' GLY . . . . . . . . . . . . . . . -129.4 117.79 2.49 Favored Glycine 0 N--CA 1.444 -0.797 0 CA-C-N 115.753 -0.658 . . . . 1.23 111.662 -178.774 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 606' ' ' LYS . . . . . . . . . . . . . 22.9 pttm -72.3 167.52 20.24 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.632 0.253 . . . . 3.47 110.561 -179.721 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 607' ' ' ASN . . . . . . . . . . . . . 25.5 t-20 -58.09 130.36 46.25 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.166 0.508 . . . . 1.33 111.007 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 608' ' ' VAL . . . . . 0.621 HG13 HG21 ' A' ' 538' ' ' ILE . 73.6 t -91.46 -23.67 5.77 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 CA-C-N 115.591 -0.731 . . . . 0.3 111.302 -175.084 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 609' ' ' ALA . . . . . . . . . . . . . . . -60.46 -33.2 72.22 Favored 'General case' 0 C--O 1.237 0.414 0 CA-C-O 121.411 0.624 . . . . 0.44 110.99 176.463 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 610' ' ' ALA . . . . . . . . . . . . . . . -63.31 -28.58 70.11 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.813 -0.63 . . . . 0.4 110.35 176.377 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 611' ' ' ILE . . . . . 0.401 ' O ' HG13 ' A' ' 615' ' ' ILE . 76.7 mt -71.67 -29.33 33.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 115.773 -0.648 . . . . 0.25 109.711 178.289 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 612' ' ' ILE . . . . . 0.534 ' CG1' HD13 ' A' ' 542' ' ' LEU . 65.0 mt -60.44 -43.53 94.31 Favored 'Isoleucine or valine' 0 C--O 1.233 0.236 0 N-CA-C 109.561 -0.533 . . . . 0.31 109.561 172.218 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 613' ' ' GLN . . . . . . . . . . . . . 26.1 mm-40 -64.38 -32.25 73.79 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.455 -0.793 . . . . 2.31 109.854 177.207 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 614' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -66.09 -43.75 86.42 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.062 -0.972 . . . . 1.95 110.445 178.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 615' ' ' ILE . . . . . 0.539 ' CD1' ' HB2' ' A' ' 542' ' ' LEU . 85.3 mt -62.69 -47.7 91.64 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 115.981 -0.554 . . . . 0.35 110.736 177.382 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 616' ' ' HIS . . . . . . . . . . . . . 61.8 m170 -64.74 -35.41 80.98 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.448 -0.796 . . . . 1.26 111.226 -178.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 617' ' ' SER . . . . . . . . . . . . . 33.8 t -74.6 -36.09 62.97 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.729 0.3 . . . . 1.18 111.16 179.446 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 618' ' ' GLN . . . . . . . . . . . . . 52.3 mt-30 66.71 15.42 10.12 Favored 'General case' 0 N--CA 1.469 0.504 0 CA-C-N 115.626 -0.715 . . . . 4.68 111.66 179.19 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 619' ' ' ARG . . . . . . . . . . . . . 43.7 mtp-105 -108.53 97.42 7.09 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.988 -0.551 . . . . 7.77 109.889 177.677 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 620' ' ' GLU . . . . . 0.474 ' H ' ' CD ' ' A' ' 620' ' ' GLU . 0.6 OUTLIER -78.82 66.68 4.36 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.685 0.755 . . . . 7.92 110.531 -178.163 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 621' ' ' ARG . . . . . . . . . . . . . 19.0 ttm180 . . . . . 0 C--O 1.249 1.073 0 CA-C-N 115.54 -0.755 . . . . 11.0 110.063 -178.144 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 1' ' ' ADN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 2' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.914 0 C4'-C3'-C2' 103.688 0.988 . 0.0 '__' . 2.99 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 3' ' ' ' C' . . . . . 0.443 " H2'" ' HD2' ' A' ' 595' ' ' ARG . . . . . . . . 0 O5'--C5' 1.425 -0.962 0 C4'-C3'-C2' 104.277 1.577 . 0.0 OUTLIER . 1.58 . . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 4' ' ' ' U' . . . . . 0.411 " O5'" ' HE3' ' A' ' 553' ' ' MET . . . . . . . . 0 O5'--C5' 1.426 -0.894 0 C3'-C2'-C1' 100.07 -1.589 . 0.0 OUTLIER . 1.15 . . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 5' ' ' ' U' . . . . . 0.716 " H4'" ' HA ' ' A' ' 553' ' ' MET . . . . . . . . 0 O5'--C5' 1.424 -1.026 0 C4'-C3'-C2' 104.071 1.371 . 0.414 4b . 1.33 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 6' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.813 0 C3'-C2'-C1' 100.277 -1.359 . 0.0 OUTLIER . 4.23 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 510' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.844 0 N-CA-C 112.631 -0.187 . . . . 8.88 112.631 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 511' ' ' ALA . . . . . . . . . . . . . . . -85.69 122.13 29.34 Favored 'General case' 0 C--N 1.328 -0.348 0 O-C-N 122.553 -0.381 . . . . 6.64 111.034 -178.832 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 512' ' ' MET . . . . . . . . . . . . . 1.8 pmm? -80.94 -19.41 44.28 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.15 -0.477 . . . . 6.33 110.303 179.599 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 513' ' ' ALA . . . . . . . . . . . . . . . -139.5 155.67 47.4 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.661 -0.7 . . . . 4.2 109.27 178.597 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 514' ' ' GLN . . . . . . . . . . . . . 68.7 mm-40 66.29 112.9 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.286 0 O-C-N 123.845 0.716 . . . . 2.88 111.47 -177.165 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 515' ' ' ARG . . . . . . . . . . . . . 21.2 mtp180 -70.46 122.17 19.14 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 116.019 -0.537 . . . . 4.0 110.406 -179.784 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 516' ' ' LYS . . . . . . . . . . . . . 41.3 mmtm -137.72 46.03 2.12 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.143 -0.48 . . . . 1.89 110.529 -179.261 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 517' ' ' GLY . . . . . . . . . . . . . . . -103.66 -86.58 1.95 Allowed Glycine 0 N--CA 1.451 -0.31 0 N-CA-C 111.192 -0.763 . . . . 2.04 111.192 175.798 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 518' ' ' ALA . . . . . . . . . . . . . . . -89.0 91.8 8.98 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 109.183 -0.673 . . . . 1.75 109.183 173.064 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 519' ' ' GLY . . . . . . . . . . . . . . . 109.69 103.69 2.82 Favored Glycine 0 N--CA 1.447 -0.607 0 N-CA-C 110.155 -1.178 . . . . 0.67 110.155 -171.86 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 520' ' ' ARG . . . . . 0.736 ' NH1' ' HA ' ' A' ' 566' ' ' THR . 6.0 mtm105 -134.78 137.33 43.3 Favored 'General case' 0 N--CA 1.45 -0.467 0 CA-C-O 121.019 0.437 . . . . 2.22 111.175 -177.571 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 521' ' ' VAL . . . . . 0.846 HG13 HD21 ' A' ' 599' ' ' LEU . 84.8 t -117.11 124.07 72.57 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 CA-C-N 115.67 -0.695 . . . . 0.32 110.9 169.349 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 522' ' ' VAL . . . . . 0.593 ' HB ' ' O ' ' A' ' 561' ' ' LEU . 25.2 t -120.2 121.62 66.22 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 N-CA-C 108.142 -1.058 . . . . 0.22 108.142 173.668 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 523' ' ' HIS . . . . . 0.472 ' HB2' ' OG ' ' A' ' 593' ' ' SER . 47.5 t-80 -105.68 132.59 51.63 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 121.258 0.551 . . . . 0.44 110.842 -173.527 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 524' ' ' ILE . . . . . 0.46 HG23 HG12 ' A' ' 590' ' ' ILE . 29.3 mt -111.11 141.4 26.59 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.931 0 N-CA-C 107.984 -1.117 . . . . 0.19 107.984 176.149 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 525' ' ' CYS . . . . . 0.496 ' SG ' ' HB3' ' A' ' 589' ' ' LEU . 3.2 p -144.53 166.32 25.47 Favored 'General case' 0 C--N 1.309 -1.163 0 C-N-CA 120.226 -0.59 . . . . 1.17 111.787 -176.47 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 526' ' ' ASN . . . . . 0.47 ' HB2' ' O ' ' A' ' 525' ' ' CYS . 92.9 m-20 83.47 31.14 0.07 Allowed 'General case' 0 N--CA 1.465 0.315 0 O-C-N 124.827 1.329 . . . . 0.26 110.335 177.603 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 527' ' ' LEU . . . . . 0.432 ' HA ' ' HD3' ' A' ' 528' ' ' PRO . 80.0 mt -85.43 133.87 41.42 Favored Pre-proline 0 C--N 1.325 -0.481 0 CA-C-N 115.281 -0.872 . . . . 0.25 108.697 175.888 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 528' ' ' PRO . . . . . 0.442 ' HB2' ' HB2' ' A' ' 531' ' ' SER . 6.1 Cg_exo -73.84 134.38 19.83 Favored 'Trans proline' 0 N--CA 1.456 -0.732 0 C-N-CA 121.266 1.311 . . . . 0.38 111.489 -178.636 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 529' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -65.13 135.54 55.63 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.89 -0.596 . . . . 1.6 109.735 178.817 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 530' ' ' GLY . . . . . . . . . . . . . . . 82.27 3.04 90.69 Favored Glycine 0 N--CA 1.448 -0.509 0 C-N-CA 120.443 -0.885 . . . . 0.48 111.795 -173.477 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 531' ' ' SER . . . . . 0.442 ' HB2' ' HB2' ' A' ' 528' ' ' PRO . 48.8 m -142.28 15.08 2.03 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.165 0.507 . . . . 1.08 110.095 -176.161 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 532' ' ' CYS . . . . . . . . . . . . . 57.5 m -92.45 90.65 7.28 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 108.94 -0.763 . . . . 0.25 108.94 179.131 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 533' ' ' THR . . . . . 0.562 ' O ' HG23 ' A' ' 537' ' ' VAL . 29.8 p -98.41 149.13 22.99 Favored 'General case' 0 N--CA 1.445 -0.698 0 N-CA-C 108.765 -0.828 . . . . 0.35 108.765 -179.919 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 534' ' ' GLU . . . . . 0.526 ' N ' HD11 ' A' ' 552' ' ' LEU . 41.3 mt-10 -67.75 -34.54 77.03 Favored 'General case' 0 C--N 1.317 -0.805 0 N-CA-C 109.048 -0.723 . . . . 1.64 109.048 176.537 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 535' ' ' ASN . . . . . . . . . . . . . 10.7 t30 -62.87 -49.07 76.3 Favored 'General case' 0 N--CA 1.446 -0.652 0 CA-C-N 114.293 -1.321 . . . . 1.82 111.6 -175.524 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 536' ' ' ASP . . . . . . . . . . . . . 17.5 m-20 -70.19 -41.93 73.06 Favored 'General case' 0 N--CA 1.472 0.648 0 CA-C-N 118.338 0.517 . . . . 0.61 111.16 -175.794 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 537' ' ' VAL . . . . . 0.562 HG23 ' O ' ' A' ' 533' ' ' THR . 44.0 t -60.06 -47.95 89.84 Favored 'Isoleucine or valine' 0 C--O 1.242 0.695 0 CA-C-N 115.205 -0.907 . . . . 0.15 109.809 179.898 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 538' ' ' ILE . . . . . 0.659 HD11 ' CG ' ' A' ' 550' ' ' TYR . 54.1 mt -68.54 -34.34 64.85 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 CA-C-N 115.503 -0.771 . . . . 0.23 111.565 176.336 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 539' ' ' ASN . . . . . 0.586 ' HA ' HD11 ' A' ' 615' ' ' ILE . 10.8 m120 -58.61 -26.39 63.64 Favored 'General case' 0 N--CA 1.467 0.4 0 O-C-N 122.203 -0.31 . . . . 0.25 110.473 177.515 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 540' ' ' LEU . . . . . 0.475 HD11 HD12 ' A' ' 588' ' ' LEU . 93.4 mt -75.62 -41.16 55.09 Favored 'General case' 0 C--N 1.323 -0.572 0 C-N-CA 120.781 -0.367 . . . . 0.27 110.276 173.4 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 541' ' ' GLY . . . . . 0.487 ' HA3' HD21 ' A' ' 561' ' ' LEU . . . -64.87 -52.72 39.5 Favored Glycine 0 CA--C 1.524 0.627 0 N-CA-C 115.589 0.996 . . . . 0.19 115.589 179.657 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 542' ' ' LEU . . . . . 0.548 ' HB2' ' CD1' ' A' ' 615' ' ' ILE . 61.0 mt -58.14 -44.37 99.2 Favored Pre-proline 0 C--N 1.32 -0.677 0 N-CA-C 115.099 1.518 . . . . 0.2 115.099 -167.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 543' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -58.88 -26.68 81.82 Favored 'Trans proline' 0 C--N 1.347 0.486 0 C-N-CA 122.119 1.88 . . . . 0.23 113.492 -179.07 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 544' ' ' PHE . . . . . 0.507 ' HB2' ' HE2' ' A' ' 572' ' ' MET . 97.8 m-85 -101.25 -12.01 19.04 Favored 'General case' 0 C--N 1.331 -0.227 0 O-C-N 122.193 -0.317 . . . . 0.33 111.412 178.661 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 545' ' ' GLY . . . . . 0.546 ' O ' ' HA ' ' A' ' 542' ' ' LEU . . . 174.81 151.7 8.65 Favored Glycine 0 N--CA 1.449 -0.497 0 C-N-CA 120.706 -0.759 . . . . 0.44 112.182 -179.678 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 546' ' ' LYS . . . . . . . . . . . . . 63.1 tttm -66.53 127.44 32.35 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.037 0.446 . . . . 2.07 110.747 -178.416 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 547' ' ' VAL . . . . . 0.572 ' HB ' HG11 ' A' ' 608' ' ' VAL . 70.2 t -87.85 115.82 28.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 115.443 -0.799 . . . . 0.2 110.222 -179.942 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 548' ' ' THR . . . . . . . . . . . . . 22.8 p -97.67 -33.84 11.16 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-N 115.856 -0.611 . . . . 0.31 111.698 -179.645 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 549' ' ' ASN . . . . . 0.467 ' HB2' ' HB2' ' A' ' 562' ' ' GLU . 12.7 m120 -142.83 149.33 38.45 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 109.966 -0.383 . . . . 1.26 109.966 -178.5 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 550' ' ' TYR . . . . . 0.659 ' CG ' HD11 ' A' ' 538' ' ' ILE . 4.7 p90 -156.37 150.77 25.56 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 116.202 -0.454 . . . . 0.31 109.89 -179.729 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 551' ' ' ILE . . . . . 0.621 HG23 ' C2 ' ' B' ' 5' ' ' ' U' . 69.1 mt -144.74 124.31 6.86 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 N-CA-C 107.922 -1.14 . . . . 0.22 107.922 -175.454 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 552' ' ' LEU . . . . . 0.526 HD11 ' N ' ' A' ' 534' ' ' GLU . 28.9 mt -106.35 117.39 33.92 Favored 'General case' 0 C--N 1.312 -1.038 0 C-N-CA 119.556 -0.858 . . . . 0.43 110.264 -179.758 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 553' ' ' MET . . . . . 0.716 ' HA ' " H4'" ' B' ' 5' ' ' ' U' . 35.5 mtp -98.15 80.78 2.72 Favored 'General case' 0 C--N 1.317 -0.841 0 N-CA-C 108.353 -0.98 . . . . 1.03 108.353 -176.868 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 554' ' ' LYS . . . . . . . . . . . . . 19.8 mmtm -54.17 -29.14 44.5 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 114.785 -1.098 . . . . 1.03 112.793 177.886 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 555' ' ' SER . . . . . . . . . . . . . 67.1 p -69.58 -45.3 68.98 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 111.746 0.276 . . . . 0.51 111.746 -174.008 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 556' ' ' THR . . . . . . . . . . . . . 44.5 p -102.12 8.32 40.78 Favored 'General case' 0 C--O 1.236 0.342 0 N-CA-C 113.052 0.76 . . . . 0.45 113.052 -173.554 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 557' ' ' ASN . . . . . . . . . . . . . 43.5 m-80 60.29 41.24 16.75 Favored 'General case' 0 N--CA 1.473 0.701 0 CA-C-O 121.787 0.804 . . . . 1.28 110.158 -176.427 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 558' ' ' GLN . . . . . 0.431 ' HB3' ' HE2' ' A' ' 523' ' ' HIS . 77.3 mt-30 -136.62 168.44 19.5 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 114.994 -1.003 . . . . 0.84 109.855 -174.86 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 559' ' ' ALA . . . . . 0.409 ' HB1' HD23 ' A' ' 552' ' ' LEU . . . -159.2 166.03 32.31 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.989 0.424 . . . . 0.16 111.491 177.175 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 560' ' ' PHE . . . . . 0.521 ' HB2' ' HB ' ' A' ' 551' ' ' ILE . 86.1 m-85 -120.68 146.66 46.2 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 116.102 -0.499 . . . . 0.35 110.774 176.262 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 561' ' ' LEU . . . . . 0.593 ' O ' ' HB ' ' A' ' 522' ' ' VAL . 46.1 tp -138.49 118.13 13.06 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.896 -0.593 . . . . 0.2 110.351 -179.905 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 562' ' ' GLU . . . . . 0.467 ' HB2' ' HB2' ' A' ' 549' ' ' ASN . 0.0 OUTLIER -105.02 137.63 42.47 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.389 0.614 . . . . 2.09 110.43 178.099 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 563' ' ' MET . . . . . 0.452 ' H ' HH21 ' A' ' 520' ' ' ARG . 2.7 mtt -124.45 151.29 44.71 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 115.077 -0.965 . . . . 0.39 109.309 -171.382 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 564' ' ' ALA . . . . . . . . . . . . . . . -71.2 -17.46 62.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.803 0.335 . . . . 0.5 111.622 -169.194 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 565' ' ' TYR . . . . . . . . . . . . . 84.0 m-85 -138.73 144.16 39.37 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 109.399 -0.593 . . . . 1.15 109.399 178.923 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 566' ' ' THR . . . . . 0.736 ' HA ' ' NH1' ' A' ' 520' ' ' ARG . 5.0 t -67.69 -27.69 67.04 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.243 -0.435 . . . . 0.57 110.392 -178.488 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 567' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -56.31 -31.29 63.54 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-N 115.363 -0.835 . . . . 0.89 110.99 175.524 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 568' ' ' ALA . . . . . 0.714 ' O ' ' HG3' ' A' ' 572' ' ' MET . . . -68.79 -42.21 77.69 Favored 'General case' 0 N--CA 1.449 -0.484 0 CA-C-N 116.07 -0.514 . . . . 0.26 110.245 -176.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 569' ' ' ALA . . . . . 0.539 ' CB ' HH12 ' A' ' 520' ' ' ARG . . . -66.1 -45.13 82.27 Favored 'General case' 0 CA--C 1.514 -0.429 0 CA-C-N 116.302 -0.408 . . . . 0.24 111.521 -176.165 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 570' ' ' GLN . . . . . . . . . . . . . 12.9 pt20 -68.04 -35.78 78.82 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.397 -0.365 . . . . 1.24 110.346 -178.699 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 571' ' ' ALA . . . . . . . . . . . . . . . -63.48 -43.64 96.69 Favored 'General case' 0 N--CA 1.453 -0.293 0 CA-C-N 116.395 -0.366 . . . . 0.31 110.502 176.013 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 572' ' ' MET . . . . . 0.714 ' HG3' ' O ' ' A' ' 568' ' ' ALA . 31.1 mtt -66.61 -44.46 82.02 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.433 -0.349 . . . . 0.47 110.504 178.126 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 573' ' ' VAL . . . . . 0.517 HG23 ' O ' ' A' ' 569' ' ' ALA . 76.2 t -59.14 -47.2 90.94 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.299 0 C-N-CA 121.208 -0.197 . . . . 0.34 110.481 179.58 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 574' ' ' GLN . . . . . . . . . . . . . 79.8 mm-40 -61.27 -38.99 88.72 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.969 0.414 . . . . 2.09 110.618 178.017 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 575' ' ' TYR . . . . . . . . . . . . . 86.9 t80 -69.66 -53.9 16.48 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.91 -0.586 . . . . 0.48 111.276 -178.329 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 576' ' ' TYR . . . . . 0.565 ' HA ' ' O ' ' A' ' 579' ' ' LYS . 82.2 m-85 -76.41 -13.66 60.11 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 112.755 0.65 . . . . 0.36 112.755 -174.586 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 577' ' ' GLN . . . . . 0.489 ' HA ' ' OE1' ' A' ' 577' ' ' GLN . 13.2 mm-40 -77.09 -41.65 41.31 Favored 'General case' 0 C--N 1.325 -0.47 0 C-N-CA 120.318 -0.553 . . . . 1.89 110.322 170.708 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 578' ' ' GLU . . . . . . . . . . . . . 28.5 mm-40 -77.39 -37.54 51.81 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.019 0.438 . . . . 2.14 110.283 177.265 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 579' ' ' LYS . . . . . 0.565 ' O ' ' HA ' ' A' ' 576' ' ' TYR . 57.9 mtpt -138.4 96.05 10.01 Favored Pre-proline 0 C--N 1.326 -0.439 0 CA-C-N 116.042 -0.526 . . . . 2.46 110.058 177.769 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 580' ' ' PRO . . . . . . . . . . . . . 38.3 Cg_endo -66.72 159.6 50.42 Favored 'Trans proline' 0 C--O 1.234 0.293 0 C-N-CA 122.069 1.846 . . . . 0.37 111.76 179.206 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 581' ' ' ALA . . . . . 0.417 ' HB2' ' CE1' ' A' ' 576' ' ' TYR . . . -92.02 137.05 32.68 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.367 -0.379 . . . . 0.27 110.115 -177.306 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 582' ' ' ILE . . . . . . . . . . . . . 25.8 mt -100.61 118.5 47.39 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.679 0 CA-C-O 120.922 0.391 . . . . 0.51 111.148 -175.778 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 583' ' ' ILE . . . . . 0.416 ' CG1' HD11 ' A' ' 588' ' ' LEU . 32.0 mm -127.51 113.82 33.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 N-CA-C 109.5 -0.555 . . . . 0.51 109.5 173.321 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 584' ' ' ASN . . . . . 0.484 HD22 ' N ' ' A' ' 584' ' ' ASN . 0.8 OUTLIER 59.65 33.67 22.01 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-O 121.53 0.681 . . . . 1.1 109.991 -177.622 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 585' ' ' GLY . . . . . . . . . . . . . . . 81.28 3.01 90.74 Favored Glycine 0 N--CA 1.445 -0.703 0 CA-C-N 115.223 -0.899 . . . . 0.44 112.955 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 586' ' ' GLU . . . . . . . . . . . . . 10.4 mm-40 -100.54 126.34 46.97 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.123 0.487 . . . . 1.79 111.105 -178.931 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 587' ' ' LYS . . . . . . . . . . . . . 34.0 mmtp -76.82 118.54 19.53 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.111 -0.95 . . . . 1.67 110.82 177.147 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 588' ' ' LEU . . . . . 0.475 HD12 HD11 ' A' ' 540' ' ' LEU . 36.3 mt -86.31 141.12 29.47 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.1 -0.5 . . . . 0.24 111.241 -177.666 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 589' ' ' LEU . . . . . 0.496 ' HB3' ' SG ' ' A' ' 525' ' ' CYS . 58.8 tp -113.6 112.56 23.72 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.796 -0.638 . . . . 0.38 110.803 179.471 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 590' ' ' ILE . . . . . 0.49 HD12 ' CD2' ' A' ' 576' ' ' TYR . 25.4 mt -102.94 121.38 54.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 N-CA-C 110.083 -0.339 . . . . 0.26 110.083 176.254 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 591' ' ' ARG . . . . . . . . . . . . . 15.2 mtp180 -147.19 166.03 28.24 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-N 116.52 -0.309 . . . . 2.62 110.505 -176.743 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 592' ' ' MET . . . . . . . . . . . . . 63.3 mtt -82.71 142.8 31.37 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 110.098 -0.334 . . . . 0.34 110.098 178.731 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 593' ' ' SER . . . . . 0.472 ' OG ' ' HB2' ' A' ' 523' ' ' HIS . 74.1 m -85.84 139.23 31.45 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.618 0.723 . . . . 1.37 112.243 -177.326 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 594' ' ' THR . . . . . . . . . . . . . 18.5 p -90.89 -16.42 28.19 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 114.453 -1.249 . . . . 0.38 112.483 -178.296 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 595' ' ' ARG . . . . . 0.443 ' HD2' " H2'" ' B' ' 3' ' ' ' C' . 99.5 mtt180 -101.63 -29.82 11.71 Favored 'General case' 0 N--CA 1.466 0.344 0 N-CA-C 112.497 0.554 . . . . 2.75 112.497 -169.677 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 596' ' ' TYR . . . . . . . . . . . . . 84.4 m-85 -119.82 150.82 39.81 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.047 0.451 . . . . 0.65 111.546 -174.652 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 597' ' ' LYS . . . . . 0.471 ' N ' ' HD2' ' A' ' 597' ' ' LYS . 0.4 OUTLIER -108.14 -18.86 13.67 Favored 'General case' 0 C--O 1.22 -0.47 0 CA-C-N 115.553 -0.749 . . . . 2.18 111.557 -178.536 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 598' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -143.2 150.09 38.88 Favored 'General case' 0 C--N 1.326 -0.439 0 C-N-CA 120.375 -0.53 . . . . 0.95 111.171 -178.516 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 599' ' ' LEU . . . . . 0.846 HD21 HG13 ' A' ' 521' ' ' VAL . 38.9 mt -101.26 121.21 41.46 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.64 -0.709 . . . . 0.45 110.417 175.722 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 600' ' ' GLN . . . . . . . . . . . . . 51.5 tp60 -108.92 120.56 42.88 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 115.491 -0.777 . . . . 1.52 110.653 -178.668 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 601' ' ' LEU . . . . . 0.44 ' CD1' HD22 ' A' ' 549' ' ' ASN . 57.4 mt -80.17 91.66 5.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.155 0.502 . . . . 0.46 110.284 177.887 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 602' ' ' LYS . . . . . . . . . . . . . 54.7 mtpt -88.79 -11.55 44.59 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.627 -0.715 . . . . 1.73 110.246 179.84 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 603' ' ' LYS . . . . . . . . . . . . . 75.3 mmtt -118.95 145.75 38.63 Favored Pre-proline 0 C--N 1.322 -0.616 0 CA-C-N 115.783 -0.644 . . . . 1.69 109.557 178.082 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 604' ' ' PRO . . . . . . . . . . . . . 46.7 Cg_exo -54.97 141.83 77.59 Favored 'Trans proline' 0 C--N 1.345 0.357 0 C-N-CA 122.953 2.435 . . . . 1.21 112.664 -179.15 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 605' ' ' GLY . . . . . . . . . . . . . . . -132.97 141.35 12.72 Favored Glycine 0 N--CA 1.442 -0.92 0 N-CA-C 111.196 -0.761 . . . . 1.23 111.196 179.391 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 606' ' ' LYS . . . . . 0.444 ' H ' ' HD2' ' A' ' 606' ' ' LYS . 2.1 mptp? -82.53 165.84 19.8 Favored 'General case' 0 C--N 1.318 -0.802 0 N-CA-C 110.084 -0.339 . . . . 3.47 110.084 -179.823 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 607' ' ' ASN . . . . . . . . . . . . . 36.0 t30 -58.03 127.58 32.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.198 0.523 . . . . 1.33 111.588 179.241 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 608' ' ' VAL . . . . . 0.572 HG11 ' HB ' ' A' ' 547' ' ' VAL . 64.8 t -86.83 -24.28 6.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 115.572 -0.74 . . . . 0.3 111.215 -177.347 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 609' ' ' ALA . . . . . . . . . . . . . . . -61.26 -34.73 75.64 Favored 'General case' 0 C--O 1.238 0.498 0 CA-C-O 121.505 0.669 . . . . 0.44 110.677 177.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 610' ' ' ALA . . . . . . . . . . . . . . . -61.02 -32.3 71.9 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.43 -0.805 . . . . 0.4 110.187 175.571 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 611' ' ' ILE . . . . . 0.493 ' O ' HG13 ' A' ' 615' ' ' ILE . 71.0 mt -70.62 -32.04 48.2 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-N 115.627 -0.715 . . . . 0.25 109.807 -178.033 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 612' ' ' ILE . . . . . 0.493 HG12 HD22 ' A' ' 542' ' ' LEU . 44.3 mt -60.84 -44.3 97.35 Favored 'Isoleucine or valine' 0 C--O 1.234 0.263 0 CA-C-O 121.221 0.534 . . . . 0.31 109.618 175.138 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 613' ' ' GLN . . . . . . . . . . . . . 74.3 mt-30 -64.76 -36.93 85.89 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.371 -0.832 . . . . 2.31 110.178 178.543 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 614' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -65.17 -39.0 92.33 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.187 -0.915 . . . . 1.95 111.291 178.717 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 615' ' ' ILE . . . . . 0.586 HD11 ' HA ' ' A' ' 539' ' ' ASN . 85.2 mt -63.3 -49.06 84.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.747 0.308 . . . . 0.35 110.939 178.239 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 616' ' ' HIS . . . . . . . . . . . . . 92.4 m-70 -67.31 -27.18 66.95 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.345 -0.389 . . . . 1.26 110.879 -178.267 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 617' ' ' SER . . . . . . . . . . . . . 28.8 t -74.19 -25.5 59.73 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.089 -0.505 . . . . 1.18 111.161 177.82 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 618' ' ' GLN . . . . . . . . . . . . . 78.6 mt-30 -118.74 -79.54 0.6 Allowed 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 112.208 0.447 . . . . 4.68 112.208 -174.045 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 619' ' ' ARG . . . . . . . . . . . . . 63.0 mtm180 -136.8 90.86 2.58 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.35 -0.386 . . . . 7.77 110.93 -173.658 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 620' ' ' GLU . . . . . 0.475 ' HA ' ' CG2' ' A' ' 615' ' ' ILE . 8.9 pt-20 -90.27 150.93 21.73 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.276 -0.42 . . . . 7.92 110.4 178.86 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 621' ' ' ARG . . . . . . . . . . . . . 8.6 tpt180 . . . . . 0 C--O 1.246 0.899 0 CA-C-O 118.568 -0.73 . . . . 11.0 109.681 -178.385 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 1' ' ' ADN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 2' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.835 0 C3'-C2'-C1' 99.861 -1.821 . 0.0 '__' . 2.99 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 3' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.424 -1.021 0 C4'-C3'-C2' 104.009 1.309 . 0.0 OUTLIER '7D dist 2[' 1.58 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 4' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.934 0 C3'-C2'-C1' 99.425 -2.305 . 0.213 4b . 1.15 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 5' ' ' ' U' . . . . . 0.497 " H2'" ' N1 ' ' B' ' 6' ' ' ' A' . . . . . . . . 0 O5'--C5' 1.427 -0.818 0 C4'-C3'-C2' 104.08 1.38 . 0.069 4b . 1.33 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 6' ' ' ' A' . . . . . 0.497 ' N1 ' " H2'" ' B' ' 5' ' ' ' U' . . . . . . . . 0 O5'--C5' 1.424 -0.994 0 O4'-C1'-N19 109.696 1.496 . 0.0 OUTLIER . 4.23 . . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 510' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.748 0 N-CA-C 112.03 -0.428 . . . . 8.88 112.03 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 511' ' ' ALA . . . . . . . . . . . . . . . -138.57 29.57 2.38 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.063 0.459 . . . . 6.64 110.864 -179.57 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 512' ' ' MET . . . . . . . . . . . . . 15.6 tpt -84.98 147.15 26.85 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.197 -0.456 . . . . 6.33 110.356 -178.838 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 513' ' ' ALA . . . . . . . . . . . . . . . 60.17 49.82 6.98 Favored 'General case' 0 C--O 1.234 0.262 0 O-C-N 123.689 0.618 . . . . 4.2 110.609 -179.463 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 514' ' ' GLN . . . . . 0.464 HE22 ' HA ' ' A' ' 594' ' ' THR . 27.5 mm-40 -123.92 118.8 27.89 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.7 -0.682 . . . . 2.88 111.304 -178.13 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 515' ' ' ARG . . . . . . . . . . . . . 47.2 mtm180 -109.48 126.33 53.4 Favored 'General case' 0 C--N 1.319 -0.741 0 N-CA-C 109.174 -0.676 . . . . 4.0 109.174 171.682 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 516' ' ' LYS . . . . . . . . . . . . . 44.4 mmtm -140.57 46.93 1.78 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.628 0.251 . . . . 1.89 111.156 -176.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 517' ' ' GLY . . . . . . . . . . . . . . . -112.61 -82.58 1.19 Allowed Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.697 -0.763 . . . . 2.04 112.182 178.823 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 518' ' ' ALA . . . . . . . . . . . . . . . -86.52 -8.44 57.55 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.598 0.713 . . . . 1.75 110.889 179.375 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 519' ' ' GLY . . . . . . . . . . . . . . . -144.53 116.32 0.94 Allowed Glycine 0 N--CA 1.446 -0.698 0 CA-C-N 114.834 -1.076 . . . . 0.67 110.631 178.65 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 520' ' ' ARG . . . . . . . . . . . . . 11.9 mtm-85 -125.7 133.81 52.01 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 117.288 0.544 . . . . 2.22 110.842 -179.658 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 521' ' ' VAL . . . . . 0.693 HG13 HD21 ' A' ' 599' ' ' LEU . 71.3 t -118.99 122.72 70.03 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.791 0 CA-C-N 115.513 -0.767 . . . . 0.32 110.67 168.407 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 522' ' ' VAL . . . . . 0.496 ' HB ' ' O ' ' A' ' 561' ' ' LEU . 23.0 t -120.27 122.28 67.89 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.837 0 N-CA-C 107.71 -1.219 . . . . 0.22 107.71 175.359 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 523' ' ' HIS . . . . . . . . . . . . . 58.4 t-80 -105.06 131.59 52.38 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-O 121.069 0.461 . . . . 0.44 110.383 -172.7 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 524' ' ' ILE . . . . . 0.468 HD11 HD22 ' A' ' 561' ' ' LEU . 31.2 mt -111.04 136.57 46.69 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.906 0 N-CA-C 108.709 -0.849 . . . . 0.19 108.709 178.541 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 525' ' ' CYS . . . . . 0.481 ' O ' ' HB2' ' A' ' 526' ' ' ASN . 0.8 OUTLIER -142.63 164.42 30.17 Favored 'General case' 0 C--N 1.311 -1.077 0 C-N-CA 120.747 -0.381 . . . . 1.17 111.518 -176.442 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 526' ' ' ASN . . . . . 0.481 ' HB2' ' O ' ' A' ' 525' ' ' CYS . 93.6 m-20 84.69 23.58 0.1 Allowed 'General case' 0 N--CA 1.472 0.632 0 O-C-N 124.75 1.281 . . . . 0.26 110.194 178.941 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 527' ' ' LEU . . . . . 0.473 ' HB3' ' SG ' ' A' ' 532' ' ' CYS . 87.1 mt -81.52 123.36 80.99 Favored Pre-proline 0 C--N 1.325 -0.48 0 N-CA-C 108.061 -1.088 . . . . 0.25 108.061 177.31 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 528' ' ' PRO . . . . . 0.408 ' HD3' ' HA ' ' A' ' 527' ' ' LEU . 12.8 Cg_exo -70.41 132.78 22.96 Favored 'Trans proline' 0 N--CA 1.459 -0.519 0 C-N-CA 121.069 1.18 . . . . 0.38 111.729 -177.905 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 529' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -65.39 130.12 42.18 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 109.168 -0.679 . . . . 1.6 109.168 177.154 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 530' ' ' GLY . . . . . . . . . . . . . . . 96.12 3.6 60.28 Favored Glycine 0 N--CA 1.444 -0.781 0 C-N-CA 120.202 -0.999 . . . . 0.48 111.145 -173.507 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 531' ' ' SER . . . . . . . . . . . . . 23.1 t -148.54 10.98 0.86 Allowed 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.363 0.601 . . . . 1.08 109.611 -179.14 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 532' ' ' CYS . . . . . 0.538 ' HB2' ' HD2' ' A' ' 554' ' ' LYS . 85.4 m -92.15 87.94 6.31 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 109.168 -0.679 . . . . 0.25 109.168 -179.6 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 533' ' ' THR . . . . . 0.481 ' O ' HG23 ' A' ' 537' ' ' VAL . 28.0 p -104.21 153.31 21.12 Favored 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 109.05 -0.722 . . . . 0.35 109.05 -179.657 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 534' ' ' GLU . . . . . 0.756 ' HA ' HD11 ' A' ' 552' ' ' LEU . 54.9 mt-10 -64.39 -33.1 75.09 Favored 'General case' 0 C--N 1.319 -0.736 0 N-CA-C 109.263 -0.643 . . . . 1.64 109.263 177.155 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 535' ' ' ASN . . . . . . . . . . . . . 4.9 m-20 -61.78 -49.31 76.9 Favored 'General case' 0 C--O 1.213 -0.852 0 CA-C-N 115.188 -0.914 . . . . 1.82 111.394 178.714 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 536' ' ' ASP . . . . . . . . . . . . . 61.4 m-20 -69.03 -46.1 68.78 Favored 'General case' 0 N--CA 1.475 0.783 0 CA-C-O 121.478 0.656 . . . . 0.61 110.991 -172.037 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 537' ' ' VAL . . . . . 0.481 HG23 ' O ' ' A' ' 533' ' ' THR . 36.3 t -59.86 -48.1 89.0 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 CA-C-N 114.802 -1.09 . . . . 0.15 109.999 -178.318 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 538' ' ' ILE . . . . . 0.55 HG23 HG21 ' A' ' 547' ' ' VAL . 54.7 mt -69.04 -33.79 60.58 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.66 0 CA-C-N 115.5 -0.773 . . . . 0.23 111.853 176.817 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 539' ' ' ASN . . . . . 0.425 ' HA ' HD11 ' A' ' 615' ' ' ILE . 10.5 m120 -57.96 -27.46 63.44 Favored 'General case' 0 CA--C 1.514 -0.407 0 N-CA-C 109.944 -0.391 . . . . 0.25 109.944 176.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 540' ' ' LEU . . . . . 0.492 HD11 HD12 ' A' ' 588' ' ' LEU . 90.8 mt -75.64 -41.12 54.99 Favored 'General case' 0 N--CA 1.444 -0.74 0 C-N-CA 120.859 -0.336 . . . . 0.27 110.135 174.474 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 541' ' ' GLY . . . . . 0.547 ' HA2' ' SD ' ' A' ' 572' ' ' MET . . . -68.37 -52.55 25.96 Favored Glycine 0 CA--C 1.525 0.667 0 N-CA-C 115.553 0.981 . . . . 0.19 115.553 -179.063 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 542' ' ' LEU . . . . . 0.475 ' HA ' ' O ' ' A' ' 545' ' ' GLY . 36.4 mt -55.64 -47.36 98.85 Favored Pre-proline 0 C--N 1.321 -0.633 0 N-CA-C 114.836 1.421 . . . . 0.2 114.836 -168.057 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 543' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_exo -58.5 -23.22 63.29 Favored 'Trans proline' 0 CA--C 1.535 0.558 0 C-N-CA 122.029 1.82 . . . . 0.23 113.726 -176.859 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 544' ' ' PHE . . . . . 0.414 ' HB2' ' HE2' ' A' ' 572' ' ' MET . 97.3 m-85 -102.15 -8.55 21.27 Favored 'General case' 0 C--O 1.234 0.267 0 O-C-N 121.867 -0.521 . . . . 0.33 111.342 178.445 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 545' ' ' GLY . . . . . 0.475 ' O ' ' HA ' ' A' ' 542' ' ' LEU . . . 169.66 152.89 8.17 Favored Glycine 0 N--CA 1.449 -0.484 0 C-N-CA 120.904 -0.665 . . . . 0.44 112.167 -178.837 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 546' ' ' LYS . . . . . . . . . . . . . 28.1 tptp -65.66 128.21 35.05 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.241 0.543 . . . . 2.07 111.235 -178.501 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 547' ' ' VAL . . . . . 0.608 ' HB ' HG11 ' A' ' 608' ' ' VAL . 70.0 t -87.69 116.83 30.48 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.684 0 CA-C-N 115.156 -0.929 . . . . 0.2 110.184 177.18 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 548' ' ' THR . . . . . . . . . . . . . 25.0 p -99.71 -34.36 10.22 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.294 -0.412 . . . . 0.31 112.031 179.015 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 549' ' ' ASN . . . . . 0.416 ' HB2' ' CB ' ' A' ' 562' ' ' GLU . 16.6 m120 -142.39 151.91 42.32 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.906 0.384 . . . . 1.26 110.202 -178.81 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 550' ' ' TYR . . . . . 0.524 ' CG ' HD11 ' A' ' 538' ' ' ILE . 3.1 p90 -160.34 151.09 18.71 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.956 -0.566 . . . . 0.31 109.773 -178.321 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 551' ' ' ILE . . . . . 0.464 HG23 ' C2 ' ' B' ' 5' ' ' ' U' . 33.1 mt -143.42 121.51 6.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 N-CA-C 108.138 -1.06 . . . . 0.22 108.138 -178.035 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 552' ' ' LEU . . . . . 0.756 HD11 ' HA ' ' A' ' 534' ' ' GLU . 21.2 mt -111.67 124.47 52.38 Favored 'General case' 0 C--N 1.32 -0.712 0 C-N-CA 119.794 -0.762 . . . . 0.43 111.617 -176.848 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 553' ' ' MET . . . . . 0.45 ' HG3' " O4'" ' B' ' 5' ' ' ' U' . 4.2 mpp? -112.09 83.73 1.84 Allowed 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 109.018 -0.734 . . . . 1.03 109.018 174.587 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 554' ' ' LYS . . . . . 0.538 ' HD2' ' HB2' ' A' ' 532' ' ' CYS . 4.6 mmtp -53.11 -28.41 25.37 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.393 -0.821 . . . . 1.03 112.201 175.423 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 555' ' ' SER . . . . . . . . . . . . . 71.0 p -69.32 -38.93 78.47 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 111.833 0.308 . . . . 0.51 111.833 -173.463 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 556' ' ' THR . . . . . . . . . . . . . 40.6 p -105.55 7.04 32.73 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 112.419 0.525 . . . . 0.45 112.419 -175.301 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 557' ' ' ASN . . . . . . . . . . . . . 2.6 m-20 59.16 39.12 23.32 Favored 'General case' 0 N--CA 1.468 0.447 0 CA-C-O 121.562 0.696 . . . . 1.28 110.392 -177.57 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 558' ' ' GLN . . . . . . . . . . . . . 23.7 mt-30 -137.63 154.44 49.73 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.185 -0.916 . . . . 0.84 110.056 -174.781 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 559' ' ' ALA . . . . . . . . . . . . . . . -157.27 164.83 37.25 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.3 0.572 . . . . 0.16 111.982 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 560' ' ' PHE . . . . . 0.455 ' HB2' ' HB ' ' A' ' 551' ' ' ILE . 94.6 m-85 -121.18 145.66 47.6 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.281 -0.872 . . . . 0.35 110.609 176.697 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 561' ' ' LEU . . . . . 0.496 ' O ' ' HB ' ' A' ' 522' ' ' VAL . 60.5 tp -138.76 118.93 13.5 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.19 -0.459 . . . . 0.2 110.359 179.796 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 562' ' ' GLU . . . . . 0.416 ' CB ' ' HB2' ' A' ' 549' ' ' ASN . 0.1 OUTLIER -101.99 136.01 42.57 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.261 0.553 . . . . 2.09 109.842 176.471 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 563' ' ' MET . . . . . 0.558 ' SD ' ' HA ' ' A' ' 569' ' ' ALA . 28.2 mtt -122.8 141.26 52.03 Favored 'General case' 0 C--N 1.314 -0.971 0 CA-C-N 115.302 -0.863 . . . . 0.39 108.743 -172.24 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 564' ' ' ALA . . . . . . . . . . . . . . . -66.62 -16.29 64.08 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 112.348 0.499 . . . . 0.5 112.348 -168.644 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 565' ' ' TYR . . . . . 0.472 ' CB ' ' HG2' ' A' ' 567' ' ' GLU . 93.9 m-85 -138.57 142.2 39.23 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.273 -0.421 . . . . 1.15 110.037 -179.121 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 566' ' ' THR . . . . . . . . . . . . . 13.5 t -62.55 -27.27 69.06 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.556 -0.747 . . . . 0.57 110.437 179.278 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 567' ' ' GLU . . . . . 0.548 ' HA ' HE21 ' A' ' 570' ' ' GLN . 12.1 pt-20 -55.91 -33.72 64.91 Favored 'General case' 0 C--N 1.333 -0.122 0 CA-C-N 115.628 -0.715 . . . . 0.89 110.834 175.905 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 568' ' ' ALA . . . . . 0.67 ' O ' ' HG3' ' A' ' 572' ' ' MET . . . -73.49 -41.58 62.93 Favored 'General case' 0 N--CA 1.447 -0.579 0 CA-C-N 115.866 -0.606 . . . . 0.26 110.309 -174.826 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 569' ' ' ALA . . . . . 0.558 ' HA ' ' SD ' ' A' ' 563' ' ' MET . . . -64.85 -46.54 81.44 Favored 'General case' 0 N--CA 1.451 -0.402 0 CA-C-N 116.11 -0.496 . . . . 0.24 111.244 -175.173 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 570' ' ' GLN . . . . . 0.548 HE21 ' HA ' ' A' ' 567' ' ' GLU . 26.8 pt20 -69.67 -36.42 76.01 Favored 'General case' 0 C--N 1.326 -0.451 0 C-N-CA 120.714 -0.394 . . . . 1.24 110.784 179.918 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 571' ' ' ALA . . . . . . . . . . . . . . . -63.48 -45.67 89.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.567 -0.288 . . . . 0.31 111.225 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 572' ' ' MET . . . . . 0.67 ' HG3' ' O ' ' A' ' 568' ' ' ALA . 27.0 mtt -67.01 -45.0 78.88 Favored 'General case' 0 CA--C 1.516 -0.33 0 CA-C-N 116.537 -0.301 . . . . 0.47 110.989 -178.335 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 573' ' ' VAL . . . . . 0.555 ' O ' ' HG2' ' A' ' 577' ' ' GLN . 93.4 t -58.74 -47.6 88.58 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 C-N-CA 120.793 -0.363 . . . . 0.34 110.221 -179.412 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 574' ' ' GLN . . . . . . . . . . . . . 79.0 mt-30 -63.39 -37.45 87.33 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-O 120.906 0.384 . . . . 2.09 110.959 179.278 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 575' ' ' TYR . . . . . . . . . . . . . 86.3 t80 -68.25 -53.53 23.95 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.268 -0.423 . . . . 0.48 111.113 -179.456 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 576' ' ' TYR . . . . . 0.506 ' HA ' ' O ' ' A' ' 579' ' ' LYS . 80.5 m-85 -73.14 -13.12 61.12 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 112.648 0.61 . . . . 0.36 112.648 -176.527 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 577' ' ' GLN . . . . . 0.555 ' HG2' ' O ' ' A' ' 573' ' ' VAL . 11.6 mm-40 -71.37 -41.98 69.01 Favored 'General case' 0 C--N 1.327 -0.411 0 C-N-CA 120.616 -0.433 . . . . 1.89 110.203 171.165 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 578' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -88.18 -38.97 14.87 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.36 -0.382 . . . . 2.14 111.03 179.905 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 579' ' ' LYS . . . . . 0.506 ' O ' ' HA ' ' A' ' 576' ' ' TYR . 28.0 mtpp -128.95 92.55 39.48 Favored Pre-proline 0 C--N 1.324 -0.501 0 N-CA-C 109.878 -0.416 . . . . 2.46 109.878 176.615 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 580' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo -70.1 160.01 51.1 Favored 'Trans proline' 0 C--O 1.235 0.343 0 C-N-CA 122.292 1.994 . . . . 0.37 112.014 -179.549 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 581' ' ' ALA . . . . . 0.452 ' O ' ' HG ' ' A' ' 588' ' ' LEU . . . -91.51 132.87 35.98 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 109.765 -0.458 . . . . 0.27 109.765 179.549 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 582' ' ' ILE . . . . . . . . . . . . . 34.0 mt -103.45 120.18 53.07 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.752 0 CA-C-O 121.061 0.458 . . . . 0.51 111.343 -175.155 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 583' ' ' ILE . . . . . 0.402 ' CG1' HD11 ' A' ' 588' ' ' LEU . 27.3 mm -128.27 115.09 36.9 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 CA-C-N 115.595 -0.729 . . . . 0.51 109.682 174.528 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 584' ' ' ASN . . . . . . . . . . . . . 4.4 m-20 58.97 33.46 23.04 Favored 'General case' 0 N--CA 1.465 0.316 0 CA-C-O 121.608 0.718 . . . . 1.1 110.45 178.69 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 585' ' ' GLY . . . . . . . . . . . . . . . 85.12 -1.74 88.59 Favored Glycine 0 N--CA 1.445 -0.741 0 CA-C-N 115.073 -0.967 . . . . 0.44 113.707 177.472 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 586' ' ' GLU . . . . . . . . . . . . . 25.9 mt-10 -104.23 127.55 51.87 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 117.497 0.649 . . . . 1.79 111.11 -178.724 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 587' ' ' LYS . . . . . . . . . . . . . 30.0 mmtp -76.52 118.08 18.83 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.117 -0.947 . . . . 1.67 110.928 179.141 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 588' ' ' LEU . . . . . 0.492 HD12 HD11 ' A' ' 540' ' ' LEU . 44.2 mt -81.38 139.82 35.08 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.954 -0.566 . . . . 0.24 111.067 -177.004 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 589' ' ' LEU . . . . . . . . . . . . . 61.3 tp -113.03 113.62 25.71 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.898 -0.592 . . . . 0.38 110.976 -179.573 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 590' ' ' ILE . . . . . 0.443 HD12 ' CE2' ' A' ' 576' ' ' TYR . 24.1 mt -106.08 118.69 54.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 N-CA-C 110.041 -0.355 . . . . 0.26 110.041 175.055 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 591' ' ' ARG . . . . . . . . . . . . . 68.7 mtp180 -145.4 166.03 26.78 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-O 120.757 0.313 . . . . 2.62 110.608 -178.227 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 592' ' ' MET . . . . . . . . . . . . . 61.9 mtt -82.53 142.09 32.11 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.457 -0.338 . . . . 0.34 110.788 -177.191 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 593' ' ' SER . . . . . . . . . . . . . 47.6 t -86.58 137.52 32.43 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.538 0.685 . . . . 1.37 111.887 -174.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 594' ' ' THR . . . . . 0.464 ' HA ' HE22 ' A' ' 514' ' ' GLN . 17.0 p -90.95 -12.67 35.28 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 114.697 -1.138 . . . . 0.38 112.206 179.257 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 595' ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 -101.07 -30.95 11.31 Favored 'General case' 0 C--N 1.332 -0.189 0 N-CA-C 112.384 0.513 . . . . 2.75 112.384 -170.838 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 596' ' ' TYR . . . . . 0.452 ' HB3' HG21 ' A' ' 521' ' ' VAL . 47.8 m-85 -118.43 144.66 45.79 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 121.185 0.517 . . . . 0.65 111.614 -176.848 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 597' ' ' LYS . . . . . 0.607 ' N ' ' HD2' ' A' ' 597' ' ' LYS . 6.4 mptt -109.82 -9.94 14.79 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.293 -0.867 . . . . 2.18 110.271 176.315 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 598' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -144.67 150.22 36.98 Favored 'General case' 0 N--CA 1.45 -0.428 0 CA-C-N 116.36 -0.382 . . . . 0.95 110.832 -179.865 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 599' ' ' LEU . . . . . 0.693 HD21 HG13 ' A' ' 521' ' ' VAL . 47.7 mt -111.82 121.4 44.97 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.581 -0.736 . . . . 0.45 110.769 174.536 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 600' ' ' GLN . . . . . . . . . . . . . 27.7 tt0 -113.54 121.98 45.87 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.59 -0.732 . . . . 1.52 110.342 -179.832 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 601' ' ' LEU . . . . . . . . . . . . . 78.5 mt -75.21 90.13 2.56 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.889 0.376 . . . . 0.46 111.245 -179.203 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 602' ' ' LYS . . . . . . . . . . . . . 96.8 mttt -65.09 -35.25 80.55 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 108.856 -0.794 . . . . 1.73 108.856 171.672 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 603' ' ' LYS . . . . . . . . . . . . . 75.3 mmtt -117.8 124.5 28.76 Favored Pre-proline 0 C--N 1.322 -0.62 0 CA-C-N 114.873 -1.058 . . . . 1.69 108.472 173.73 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 604' ' ' PRO . . . . . . . . . . . . . 38.3 Cg_endo -65.37 178.27 2.17 Favored 'Trans proline' 0 C--O 1.233 0.264 0 C-N-CA 123.126 2.55 . . . . 1.21 113.446 -175.481 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 605' ' ' GLY . . . . . . . . . . . . . . . -145.65 154.97 26.27 Favored Glycine 0 N--CA 1.44 -1.051 0 N-CA-C 111.046 -0.822 . . . . 1.23 111.046 -177.285 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 606' ' ' LYS . . . . . . . . . . . . . 60.6 pttt -74.37 175.68 7.45 Favored 'General case' 0 C--N 1.317 -0.817 0 C-N-CA 122.334 0.253 . . . . 3.47 111.143 -178.309 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 607' ' ' ASN . . . . . . . . . . . . . 33.5 t30 -57.72 123.22 14.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.239 0.542 . . . . 1.33 111.523 177.061 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 608' ' ' VAL . . . . . 0.608 HG11 ' HB ' ' A' ' 547' ' ' VAL . 46.2 t -85.59 -20.23 8.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-N 115.644 -0.707 . . . . 0.3 110.914 -177.476 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 609' ' ' ALA . . . . . . . . . . . . . . . -64.5 -34.81 79.09 Favored 'General case' 0 C--O 1.237 0.447 0 CA-C-O 121.533 0.682 . . . . 0.44 110.665 177.669 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 610' ' ' ALA . . . . . . . . . . . . . . . -64.88 -27.74 69.07 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.561 -0.745 . . . . 0.4 110.095 177.367 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 611' ' ' ILE . . . . . 0.459 ' CD1' HD12 ' A' ' 538' ' ' ILE . 74.4 mt -71.68 -29.4 34.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 115.725 -0.671 . . . . 0.25 109.779 177.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 612' ' ' ILE . . . . . . . . . . . . . 61.4 mt -60.74 -44.1 96.57 Favored 'Isoleucine or valine' 0 C--O 1.234 0.26 0 N-CA-C 109.554 -0.535 . . . . 0.31 109.554 173.012 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 613' ' ' GLN . . . . . . . . . . . . . 30.8 mm-40 -66.5 -30.64 71.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.344 0.592 . . . . 2.31 109.858 176.757 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 614' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -66.06 -39.43 90.09 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 114.995 -1.002 . . . . 1.95 110.708 -179.377 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 615' ' ' ILE . . . . . 0.428 ' CD1' ' HB2' ' A' ' 542' ' ' LEU . 87.9 mt -64.93 -42.97 96.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.455 . . . . 0.35 110.429 176.505 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 616' ' ' HIS . . . . . . . . . . . . . 22.4 m-70 -66.38 -27.04 67.56 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.145 -0.48 . . . . 1.26 111.278 178.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 617' ' ' SER . . . . . . . . . . . . . 46.6 t -73.66 -31.49 63.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.199 0.523 . . . . 1.18 109.91 175.391 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 618' ' ' GLN . . . . . . . . . . . . . 49.2 mt-30 -84.88 97.07 9.54 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.808 -0.633 . . . . 4.68 109.996 176.077 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 619' ' ' ARG . . . . . . . . . . . . . 82.7 mtp180 -95.21 87.34 4.82 Favored 'General case' 0 C--N 1.313 -1.011 0 CA-C-N 116.039 -0.528 . . . . 7.77 110.779 -175.138 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 620' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -79.09 51.44 1.16 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.018 -0.537 . . . . 7.92 111.333 -179.818 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 621' ' ' ARG . . . . . . . . . . . . . 96.2 mtt180 . . . . . 0 C--O 1.249 1.034 0 CA-C-O 118.952 -0.547 . . . . 11.0 109.805 179.811 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 1' ' ' ADN . . . . . 0.791 " O2'" H5'' ' B' ' 2' ' ' ' U' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 2' ' ' ' U' . . . . . 0.791 H5'' " O2'" ' B' ' 1' ' ' ADN . . . . . . . . 0 O5'--C5' 1.427 -0.817 0 C3'-C2'-C1' 99.851 -1.832 . 0.0 '__' . 2.99 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 3' ' ' ' C' . . . . . 0.595 ' O2 ' ' HB3' ' A' ' 593' ' ' SER . . . . . . . . 0 O5'--C5' 1.426 -0.873 0 C4'-C3'-C2' 104.116 1.416 . 0.0 OUTLIER . 1.58 . . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 4' ' ' ' U' . . . . . 0.608 ' O2 ' ' H5 ' ' B' ' 5' ' ' ' U' . . . . . . . . 0 O5'--C5' 1.426 -0.903 0 C3'-C2'-C1' 99.28 -2.467 . 0.0 OUTLIER gamma 1.15 . . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 5' ' ' ' U' . . . . . 0.608 ' H5 ' ' O2 ' ' B' ' 4' ' ' ' U' . . . . . . . . 0 O5'--C5' 1.425 -0.934 0 O4'-C1'-N19 109.608 1.408 . 0.0 OUTLIER alpha 1.33 . . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 6' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.424 -1.009 0 C3'-C2'-C1' 100.36 -1.266 . 0.0 OUTLIER . 4.23 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 510' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.803 0 N-CA-C 112.05 -0.42 . . . . 8.88 112.05 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 511' ' ' ALA . . . . . . . . . . . . . . . -110.24 -50.29 2.98 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.777 0.323 . . . . 6.64 110.34 177.043 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 512' ' ' MET . . . . . . . . . . . . . 26.7 ptt? -96.99 -21.22 17.54 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.17 0.51 . . . . 6.33 109.762 176.292 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 513' ' ' ALA . . . . . . . . . . . . . . . -87.71 65.12 8.32 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.634 -0.712 . . . . 4.2 109.424 174.034 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 514' ' ' GLN . . . . . . . . . . . . . 14.7 mm100 69.77 153.14 0.11 Allowed 'General case' 0 CA--C 1.53 0.186 0 CA-C-N 115.17 -0.923 . . . . 2.88 110.488 -175.039 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 515' ' ' ARG . . . . . . . . . . . . . 95.6 mtt180 -83.76 62.63 7.02 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.116 0.484 . . . . 4.0 110.516 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 516' ' ' LYS . . . . . 0.447 ' HB3' ' HG2' ' A' ' 520' ' ' ARG . 68.3 mmtt -85.99 61.12 6.65 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.25 0.548 . . . . 1.89 111.04 -176.892 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 517' ' ' GLY . . . . . . . . . . . . . . . -128.38 136.85 9.34 Favored Glycine 0 N--CA 1.445 -0.73 0 CA-C-N 115.425 -0.807 . . . . 2.04 111.325 177.486 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 518' ' ' ALA . . . . . . . . . . . . . . . 60.06 43.67 14.11 Favored 'General case' 0 N--CA 1.463 0.179 0 CA-C-O 121.219 0.533 . . . . 1.75 110.762 -178.135 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 519' ' ' GLY . . . . . . . . . . . . . . . 135.24 129.62 2.89 Favored Glycine 0 N--CA 1.447 -0.584 0 CA-C-N 115.608 -0.724 . . . . 0.67 111.385 -177.593 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 520' ' ' ARG . . . . . 0.447 ' HG2' ' HB3' ' A' ' 516' ' ' LYS . 50.0 mtm-85 -134.78 134.66 41.15 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 117.311 0.555 . . . . 2.22 111.243 179.606 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 521' ' ' VAL . . . . . 0.814 HG13 HD21 ' A' ' 599' ' ' LEU . 95.1 t -117.01 121.44 67.8 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.722 0 CA-C-N 115.225 -0.898 . . . . 0.32 110.648 171.252 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 522' ' ' VAL . . . . . 0.454 ' HB ' ' O ' ' A' ' 561' ' ' LEU . 24.2 t -121.63 122.59 67.43 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 N-CA-C 108.565 -0.902 . . . . 0.22 108.565 178.092 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 523' ' ' HIS . . . . . 0.439 ' HB2' ' OG ' ' A' ' 593' ' ' SER . 59.3 t-80 -105.69 135.4 47.18 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.097 0.475 . . . . 0.44 110.578 -175.147 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 524' ' ' ILE . . . . . 0.533 HD11 HD22 ' A' ' 561' ' ' LEU . 33.1 mt -111.2 138.85 37.83 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.801 0 N-CA-C 108.791 -0.818 . . . . 0.19 108.791 177.067 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 525' ' ' CYS . . . . . 0.459 ' O ' ' HB2' ' A' ' 526' ' ' ASN . 0.0 OUTLIER -132.65 159.06 40.68 Favored 'General case' 0 C--N 1.317 -0.843 0 C-N-CA 120.796 -0.362 . . . . 1.17 111.241 -171.922 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 526' ' ' ASN . . . . . 0.459 ' HB2' ' O ' ' A' ' 525' ' ' CYS . 87.4 m-20 86.95 30.67 0.03 OUTLIER 'General case' 0 N--CA 1.471 0.603 0 O-C-N 124.764 1.29 . . . . 0.26 110.924 173.784 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 527' ' ' LEU . . . . . 0.427 ' HA ' ' HD3' ' A' ' 528' ' ' PRO . 80.2 mt -92.86 124.66 57.89 Favored Pre-proline 0 C--N 1.323 -0.583 0 CA-C-N 115.561 -0.745 . . . . 0.25 109.559 177.379 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 528' ' ' PRO . . . . . 0.427 ' HD3' ' HA ' ' A' ' 527' ' ' LEU . 5.7 Cg_exo -74.23 133.68 18.15 Favored 'Trans proline' 0 N--CA 1.458 -0.606 0 C-N-CA 121.695 1.597 . . . . 0.38 111.379 -179.426 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 529' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -66.69 133.23 49.78 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 109.541 -0.54 . . . . 1.6 109.541 177.186 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 530' ' ' GLY . . . . . . . . . . . . . . . 90.42 3.54 71.9 Favored Glycine 0 N--CA 1.446 -0.645 0 N-CA-C 110.33 -1.108 . . . . 0.48 110.33 -171.113 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 531' ' ' SER . . . . . . . . . . . . . 55.5 m -149.55 9.02 0.7 Allowed 'General case' 0 N--CA 1.45 -0.457 0 CA-C-N 115.005 -0.598 . . . . 1.08 110.202 -177.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 532' ' ' CYS . . . . . 0.42 ' SG ' ' HB3' ' A' ' 527' ' ' LEU . 59.4 m -89.71 88.03 7.23 Favored 'General case' 0 CA--C 1.51 -0.571 0 N-CA-C 108.133 -1.062 . . . . 0.25 108.133 175.88 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 533' ' ' THR . . . . . 0.449 ' O ' HG23 ' A' ' 537' ' ' VAL . 30.3 p -96.11 150.36 20.59 Favored 'General case' 0 N--CA 1.441 -0.903 0 C-N-CA 119.728 -0.789 . . . . 0.35 109.225 -177.03 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 534' ' ' GLU . . . . . 0.46 ' N ' HD11 ' A' ' 552' ' ' LEU . 29.5 mt-10 -67.25 -33.59 75.64 Favored 'General case' 0 C--N 1.317 -0.818 0 N-CA-C 108.771 -0.826 . . . . 1.64 108.771 177.144 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 535' ' ' ASN . . . . . . . . . . . . . 6.0 m120 -64.47 -49.51 71.11 Favored 'General case' 0 C--O 1.213 -0.817 0 CA-C-N 114.67 -1.15 . . . . 1.82 111.862 -178.507 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 536' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -68.65 -44.59 73.79 Favored 'General case' 0 N--CA 1.474 0.75 0 CA-C-N 118.642 0.655 . . . . 0.61 111.206 -172.637 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 537' ' ' VAL . . . . . 0.462 HG21 HD21 ' A' ' 552' ' ' LEU . 40.4 t -61.11 -48.12 90.47 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.765 0 CA-C-N 114.764 -1.107 . . . . 0.15 110.336 -178.282 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 538' ' ' ILE . . . . . 0.579 HD11 ' CG ' ' A' ' 550' ' ' TYR . 65.8 mt -68.89 -34.33 63.8 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 CA-C-N 115.795 -0.638 . . . . 0.23 111.567 176.314 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 539' ' ' ASN . . . . . 0.502 ' HA ' HD11 ' A' ' 615' ' ' ILE . 10.2 m120 -57.71 -28.54 63.93 Favored 'General case' 0 CA--C 1.514 -0.413 0 N-CA-C 110.411 -0.218 . . . . 0.25 110.411 178.622 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 540' ' ' LEU . . . . . 0.482 HD11 HD12 ' A' ' 588' ' ' LEU . 76.4 mt -76.99 -41.8 41.39 Favored 'General case' 0 C--N 1.324 -0.524 0 C-N-CA 120.797 -0.361 . . . . 0.27 110.399 174.028 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 541' ' ' GLY . . . . . 0.496 ' CA ' HD21 ' A' ' 561' ' ' LEU . . . -62.36 -52.47 49.08 Favored Glycine 0 CA--C 1.522 0.527 0 N-CA-C 115.47 0.948 . . . . 0.19 115.47 -179.189 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 542' ' ' LEU . . . . . 0.517 ' HB2' ' CD1' ' A' ' 615' ' ' ILE . 57.4 mt -57.05 -44.32 99.72 Favored Pre-proline 0 C--N 1.318 -0.766 0 N-CA-C 114.782 1.401 . . . . 0.2 114.782 -170.148 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 543' ' ' PRO . . . . . 0.431 ' HD2' ' O ' ' A' ' 540' ' ' LEU . 51.0 Cg_exo -58.11 -26.44 75.71 Favored 'Trans proline' 0 C--N 1.349 0.604 0 C-N-CA 122.105 1.87 . . . . 0.23 113.934 -177.143 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 544' ' ' PHE . . . . . 0.43 ' HB2' ' HE2' ' A' ' 572' ' ' MET . 95.7 m-85 -103.95 -6.66 21.05 Favored 'General case' 0 C--O 1.235 0.31 0 O-C-N 121.985 -0.447 . . . . 0.33 111.577 178.926 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 545' ' ' GLY . . . . . 0.487 ' O ' ' HA ' ' A' ' 542' ' ' LEU . . . 169.51 151.84 7.54 Favored Glycine 0 C--O 1.227 -0.312 0 C-N-CA 121.004 -0.617 . . . . 0.44 111.999 -179.401 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 546' ' ' LYS . . . . . . . . . . . . . 87.4 tttt -66.37 131.16 45.46 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.039 0.447 . . . . 2.07 111.08 -177.76 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 547' ' ' VAL . . . . . 0.612 ' HB ' HG11 ' A' ' 608' ' ' VAL . 69.7 t -87.88 116.12 29.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-N 115.595 -0.729 . . . . 0.2 110.784 178.174 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 548' ' ' THR . . . . . . . . . . . . . 23.1 p -93.84 -35.0 12.93 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.105 -0.498 . . . . 0.31 111.839 179.032 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 549' ' ' ASN . . . . . 0.489 ' HB2' ' CB ' ' A' ' 562' ' ' GLU . 90.3 m-20 -142.57 160.4 40.37 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.188 0.518 . . . . 1.26 110.767 178.539 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 550' ' ' TYR . . . . . 0.579 ' CG ' HD11 ' A' ' 538' ' ' ILE . 2.9 p90 -161.22 150.99 16.99 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.22 -0.9 . . . . 0.31 109.158 179.802 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 551' ' ' ILE . . . . . 0.47 HG23 ' C4 ' ' B' ' 5' ' ' ' U' . 77.1 mt -144.39 123.95 7.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 N-CA-C 108.396 -0.965 . . . . 0.22 108.396 -175.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 552' ' ' LEU . . . . . 0.462 HD21 HG21 ' A' ' 537' ' ' VAL . 31.5 mt -107.08 114.97 29.36 Favored 'General case' 0 C--N 1.316 -0.877 0 C-N-CA 120.198 -0.601 . . . . 0.43 110.827 -177.561 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 553' ' ' MET . . . . . 0.4 ' SD ' ' HE2' ' A' ' 560' ' ' PHE . 16.6 mtp -104.44 81.03 1.75 Allowed 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 108.366 -0.976 . . . . 1.03 108.366 -176.53 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 554' ' ' LYS . . . . . 0.404 ' HD2' ' HB2' ' A' ' 532' ' ' CYS . 14.1 mmtm -54.03 -29.24 42.98 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 114.703 -1.135 . . . . 1.03 112.533 177.188 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 555' ' ' SER . . . . . . . . . . . . . 65.4 p -69.16 -45.32 70.33 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.65 0.262 . . . . 0.51 111.671 -171.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 556' ' ' THR . . . . . 0.439 ' O ' ' HG3' ' A' ' 558' ' ' GLN . 44.1 p -99.83 6.83 45.32 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 112.352 0.501 . . . . 0.45 112.352 -176.169 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 557' ' ' ASN . . . . . . . . . . . . . 16.7 m120 60.18 42.26 15.65 Favored 'General case' 0 C--O 1.236 0.38 0 CA-C-O 121.522 0.677 . . . . 1.28 110.175 -176.735 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 558' ' ' GLN . . . . . 0.439 ' HG3' ' O ' ' A' ' 556' ' ' THR . 76.9 mt-30 -139.52 167.18 22.68 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.21 -0.904 . . . . 0.84 110.044 -175.143 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 559' ' ' ALA . . . . . . . . . . . . . . . -158.95 165.88 33.1 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.976 0.417 . . . . 0.16 111.531 177.577 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 560' ' ' PHE . . . . . 0.467 ' HB2' ' HB ' ' A' ' 551' ' ' ILE . 83.8 m-85 -119.54 151.0 39.33 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.172 -0.467 . . . . 0.35 111.269 175.401 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 561' ' ' LEU . . . . . 0.538 HD23 ' HE2' ' A' ' 563' ' ' MET . 54.4 tp -137.46 118.81 14.68 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.252 -0.885 . . . . 0.2 109.78 179.836 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 562' ' ' GLU . . . . . 0.549 ' HB2' HD12 ' A' ' 599' ' ' LEU . 28.6 tt0 -99.93 124.96 45.82 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.417 0.627 . . . . 2.09 110.216 178.624 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 563' ' ' MET . . . . . 0.588 ' SD ' ' HA ' ' A' ' 569' ' ' ALA . 26.9 mtt -111.23 146.66 36.56 Favored 'General case' 0 C--N 1.315 -0.898 0 CA-C-N 114.989 -1.005 . . . . 0.39 109.531 -175.595 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 564' ' ' ALA . . . . . . . . . . . . . . . -66.62 -22.81 66.11 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.792 -0.64 . . . . 0.5 112.554 -170.856 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 565' ' ' TYR . . . . . 0.461 ' HB3' ' HG2' ' A' ' 567' ' ' GLU . 83.1 m-85 -143.32 156.8 44.8 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.005 0.431 . . . . 1.15 110.748 -179.878 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 566' ' ' THR . . . . . . . . . . . . . 12.2 t -68.12 -27.21 66.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.512 -0.767 . . . . 0.57 110.576 -178.597 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 567' ' ' GLU . . . . . 0.461 ' HG2' ' HB3' ' A' ' 565' ' ' TYR . 9.3 pt-20 -55.93 -32.97 64.27 Favored 'General case' 0 N--CA 1.462 0.149 0 CA-C-N 115.861 -0.609 . . . . 0.89 110.986 176.612 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 568' ' ' ALA . . . . . 0.608 ' O ' ' HG3' ' A' ' 572' ' ' MET . . . -73.55 -43.99 58.54 Favored 'General case' 0 N--CA 1.45 -0.431 0 CA-C-N 115.608 -0.724 . . . . 0.26 110.938 -176.525 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 569' ' ' ALA . . . . . 0.588 ' HA ' ' SD ' ' A' ' 563' ' ' MET . . . -64.39 -45.66 86.7 Favored 'General case' 0 CA--C 1.518 -0.258 0 CA-C-N 116.136 -0.484 . . . . 0.24 111.316 -174.871 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 570' ' ' GLN . . . . . . . . . . . . . 12.7 pt20 -67.64 -36.17 80.27 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.242 -0.436 . . . . 1.24 110.747 -179.138 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 571' ' ' ALA . . . . . . . . . . . . . . . -64.4 -45.51 87.28 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.238 -0.437 . . . . 0.31 110.972 179.882 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 572' ' ' MET . . . . . 0.608 ' HG3' ' O ' ' A' ' 568' ' ' ALA . 28.3 mtt -68.95 -43.48 74.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.358 -0.383 . . . . 0.47 111.071 -177.657 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 573' ' ' VAL . . . . . 0.531 HG23 ' O ' ' A' ' 569' ' ' ALA . 87.8 t -59.09 -47.94 88.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 C-N-CA 120.943 -0.303 . . . . 0.34 110.46 -178.903 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 574' ' ' GLN . . . . . . . . . . . . . 23.0 mt-30 -66.73 -37.5 84.79 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.847 0.356 . . . . 2.09 111.029 179.666 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 575' ' ' TYR . . . . . . . . . . . . . 86.9 t80 -68.0 -53.17 27.96 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.282 -0.417 . . . . 0.48 111.109 -178.746 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 576' ' ' TYR . . . . . 0.482 ' CD2' HD12 ' A' ' 590' ' ' ILE . 84.2 m-85 -73.72 -12.64 60.78 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 113.055 0.761 . . . . 0.36 113.055 -176.646 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 577' ' ' GLN . . . . . 0.506 ' HG3' ' O ' ' A' ' 573' ' ' VAL . 25.2 mt-30 -78.98 -33.96 44.64 Favored 'General case' 0 C--N 1.323 -0.56 0 C-N-CA 120.314 -0.554 . . . . 1.89 110.242 172.654 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 578' ' ' GLU . . . . . . . . . . . . . 16.5 mm-40 -88.72 -38.87 14.39 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.798 0.332 . . . . 2.14 110.932 177.013 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 579' ' ' LYS . . . . . 0.428 ' O ' ' HA ' ' A' ' 576' ' ' TYR . 97.5 mttt -132.2 92.47 28.8 Favored Pre-proline 0 C--N 1.327 -0.388 0 N-CA-C 109.648 -0.501 . . . . 2.46 109.648 176.601 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 580' ' ' PRO . . . . . . . . . . . . . 57.5 Cg_endo -72.46 160.4 46.86 Favored 'Trans proline' 0 N--CA 1.462 -0.371 0 C-N-CA 122.661 2.241 . . . . 0.37 112.691 -177.17 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 581' ' ' ALA . . . . . . . . . . . . . . . -93.31 133.33 36.65 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.856 -0.611 . . . . 0.27 109.364 176.776 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 582' ' ' ILE . . . . . . . . . . . . . 55.8 mt -99.95 120.42 49.34 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.816 0 CA-C-O 120.819 0.343 . . . . 0.51 110.755 -176.019 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 583' ' ' ILE . . . . . 0.457 HG13 HD11 ' A' ' 588' ' ' LEU . 32.7 mm -123.11 111.59 30.32 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 116.12 -0.491 . . . . 0.51 109.68 176.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 584' ' ' ASN . . . . . . . . . . . . . 54.1 m-80 54.73 37.07 27.69 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-O 121.492 0.663 . . . . 1.1 110.583 -177.8 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 585' ' ' GLY . . . . . . . . . . . . . . . 84.59 2.63 88.77 Favored Glycine 0 N--CA 1.447 -0.614 0 CA-C-N 115.12 -0.946 . . . . 0.44 113.872 176.55 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 586' ' ' GLU . . . . . . . . . . . . . 33.6 mt-10 -111.29 126.96 55.45 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 117.375 0.587 . . . . 1.79 110.917 178.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 587' ' ' LYS . . . . . . . . . . . . . 95.0 mttt -73.83 126.16 29.78 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.447 -0.797 . . . . 1.67 111.384 179.631 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 588' ' ' LEU . . . . . 0.482 HD12 HD11 ' A' ' 540' ' ' LEU . 32.6 mt -80.67 141.27 35.08 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.065 0.459 . . . . 0.24 111.322 -179.843 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 589' ' ' LEU . . . . . . . . . . . . . 58.6 tp -112.54 111.21 21.88 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.594 -0.73 . . . . 0.38 110.352 176.905 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 590' ' ' ILE . . . . . 0.482 HD12 ' CD2' ' A' ' 576' ' ' TYR . 21.8 mt -102.61 120.04 51.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 N-CA-C 109.939 -0.393 . . . . 0.26 109.939 175.68 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 591' ' ' ARG . . . . . . . . . . . . . 76.4 mtt180 -147.5 165.63 29.71 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.996 0.427 . . . . 2.62 110.475 -177.78 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 592' ' ' MET . . . . . . . . . . . . . 62.9 mtt -82.32 136.98 34.92 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.902 -0.59 . . . . 0.34 110.561 -178.161 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 593' ' ' SER . . . . . 0.595 ' HB3' ' O2 ' ' B' ' 3' ' ' ' C' . 18.1 m -81.81 139.09 34.98 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.04 0.448 . . . . 1.37 111.528 -177.428 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 594' ' ' THR . . . . . . . . . . . . . 18.9 p -92.8 -13.51 29.08 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.123 -0.944 . . . . 0.38 113.028 -177.61 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 595' ' ' ARG . . . . . 0.479 ' HD2' " O2'" ' B' ' 3' ' ' ' C' . 68.5 mtt180 -103.14 -29.74 11.14 Favored 'General case' 0 N--CA 1.465 0.287 0 N-CA-C 113.149 0.796 . . . . 2.75 113.149 -170.927 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 596' ' ' TYR . . . . . . . . . . . . . 50.6 m-85 -117.69 146.98 43.35 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 112.471 0.545 . . . . 0.65 112.471 -175.781 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 597' ' ' LYS . . . . . 0.48 ' N ' ' HD2' ' A' ' 597' ' ' LYS . 0.5 OUTLIER -108.44 -12.7 14.98 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.37 -0.832 . . . . 2.18 111.611 178.701 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 598' ' ' GLU . . . . . . . . . . . . . 45.4 tt0 -146.37 149.45 33.8 Favored 'General case' 0 C--N 1.326 -0.441 0 C-N-CA 120.66 -0.416 . . . . 0.95 111.005 178.894 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 599' ' ' LEU . . . . . 0.814 HD21 HG13 ' A' ' 521' ' ' VAL . 72.8 mt -105.54 126.01 51.64 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.448 -0.796 . . . . 0.45 111.238 177.627 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 600' ' ' GLN . . . . . . . . . . . . . 28.5 tt0 -110.19 127.24 54.83 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.878 -0.601 . . . . 1.52 110.305 179.398 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 601' ' ' LEU . . . . . . . . . . . . . 68.4 mt -81.65 94.38 6.94 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.815 0.341 . . . . 0.46 110.817 -179.764 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 602' ' ' LYS . . . . . . . . . . . . . 96.6 mttt -76.31 -15.3 60.02 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.106 0.479 . . . . 1.73 110.56 176.45 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 603' ' ' LYS . . . . . . . . . . . . . 33.6 mmtp -119.5 155.59 54.09 Favored Pre-proline 0 C--N 1.324 -0.511 0 CA-C-N 115.853 -0.612 . . . . 1.69 109.825 179.086 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 604' ' ' PRO . . . . . . . . . . . . . 21.3 Cg_endo -61.31 153.5 65.06 Favored 'Trans proline' 0 C--N 1.346 0.423 0 C-N-CA 122.867 2.378 . . . . 1.21 112.52 178.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 605' ' ' GLY . . . . . . . . . . . . . . . -116.44 164.72 12.28 Favored Glycine 0 N--CA 1.435 -1.374 0 C-N-CA 120.909 -0.663 . . . . 1.23 111.928 -179.842 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 606' ' ' LYS . . . . . . . . . . . . . 87.9 mttt -116.64 153.07 32.94 Favored 'General case' 0 C--N 1.307 -1.244 0 N-CA-C 108.391 -0.966 . . . . 3.47 108.391 177.697 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 607' ' ' ASN . . . . . . . . . . . . . 30.3 t30 -56.54 120.84 8.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.266 0.555 . . . . 1.33 111.039 179.219 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 608' ' ' VAL . . . . . 0.612 HG11 ' HB ' ' A' ' 547' ' ' VAL . 92.5 t -89.12 -20.97 6.99 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.684 0 CA-C-N 115.275 -0.875 . . . . 0.3 110.868 -174.121 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 609' ' ' ALA . . . . . . . . . . . . . . . -63.67 -34.52 78.03 Favored 'General case' 0 C--O 1.239 0.503 0 CA-C-O 121.606 0.717 . . . . 0.44 110.027 174.175 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 610' ' ' ALA . . . . . . . . . . . . . . . -65.72 -27.27 68.2 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.431 -0.804 . . . . 0.4 110.017 175.72 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 611' ' ' ILE . . . . . 0.469 ' O ' ' HB3' ' A' ' 614' ' ' ASP . 75.0 mt -72.05 -29.44 32.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 115.792 -0.64 . . . . 0.25 109.904 177.915 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 612' ' ' ILE . . . . . . . . . . . . . 64.4 mt -61.19 -43.93 97.37 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.238 0 N-CA-C 109.519 -0.549 . . . . 0.31 109.519 171.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 613' ' ' GLN . . . . . . . . . . . . . 33.0 mm-40 -62.82 -32.89 74.18 Favored 'General case' 0 N--CA 1.463 0.194 0 CA-C-N 115.926 -0.579 . . . . 2.31 110.241 174.632 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 614' ' ' ASP . . . . . 0.469 ' HB3' ' O ' ' A' ' 611' ' ' ILE . 31.6 t70 -65.5 -44.97 85.36 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.071 -0.968 . . . . 1.95 110.43 179.604 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 615' ' ' ILE . . . . . 0.517 ' CD1' ' HB2' ' A' ' 542' ' ' LEU . 91.6 mt -62.67 -45.52 98.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 115.931 -0.577 . . . . 0.35 110.997 177.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 616' ' ' HIS . . . . . . . . . . . . . 19.6 m-70 -65.09 -32.73 74.57 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.077 -0.51 . . . . 1.26 111.246 -179.593 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 617' ' ' SER . . . . . . . . . . . . . 22.8 t -71.38 -36.52 71.45 Favored 'General case' 0 N--CA 1.449 -0.476 0 CA-C-N 116.281 -0.418 . . . . 1.18 110.339 179.412 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 618' ' ' GLN . . . . . . . . . . . . . 14.0 mm100 -92.93 -1.9 56.3 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.046 0.451 . . . . 4.68 111.129 -178.053 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 619' ' ' ARG . . . . . . . . . . . . . 59.6 mtp180 61.57 37.75 16.06 Favored 'General case' 0 C--O 1.233 0.213 0 CA-C-N 115.322 -0.854 . . . . 7.77 112.029 176.893 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 620' ' ' GLU . . . . . . . . . . . . . 48.2 mt-10 65.85 146.74 0.04 OUTLIER 'General case' 0 N--CA 1.471 0.589 0 O-C-N 123.722 0.639 . . . . 7.92 112.691 179.039 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 621' ' ' ARG . . . . . . . . . . . . . 24.1 ttm180 . . . . . 0 C--O 1.25 1.1 0 CA-C-N 115.184 -0.917 . . . . 11.0 111.872 174.162 . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' B' B ' 1' ' ' ADN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' B' B ' 2' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.934 0 C4'-C3'-C2' 104.237 1.537 . 0.0 '__' . 2.99 . . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' B' B ' 3' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.939 0 C4'-C3'-C2' 104.032 1.332 . 0.0 OUTLIER . 1.58 . . . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 4' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.807 0 C3'-C2'-C1' 100.147 -1.503 . 0.0 OUTLIER gamma 1.15 . . . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 5' ' ' ' U' . . . . . 0.531 " H4'" ' HA ' ' A' ' 553' ' ' MET . . . . . . . . 0 O5'--C5' 1.425 -0.91 0 C4'-C3'-C2' 104.077 1.377 . 0.0 OUTLIER alpha 1.33 . . . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 6' ' ' ' A' . . . . . 0.526 ' C2 ' " H2'" ' B' ' 5' ' ' ' U' . . . . . . . . 0 O5'--C5' 1.426 -0.88 0 C3'-C2'-C1' 100.761 -0.821 . 0.0 OUTLIER . 4.23 . . . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 510' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.62 0 N-CA-C 111.952 -0.459 . . . . 8.88 111.952 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' A' A ' 511' ' ' ALA . . . . . . . . . . . . . . . -96.01 100.36 12.04 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.989 0.423 . . . . 6.64 110.466 -179.206 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 512' ' ' MET . . . . . . . . . . . . . 1.7 pmm? -83.64 150.46 25.88 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.928 -0.578 . . . . 6.33 109.991 179.691 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 513' ' ' ALA . . . . . 0.603 ' O ' ' HG2' ' A' ' 516' ' ' LYS . . . 59.3 33.68 22.64 Favored 'General case' 0 C--N 1.332 -0.178 0 O-C-N 123.588 0.555 . . . . 4.2 111.036 178.898 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 514' ' ' GLN . . . . . . . . . . . . . 15.7 mm100 65.72 -76.94 0.04 OUTLIER 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 115.847 -0.615 . . . . 2.88 109.81 -173.135 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 515' ' ' ARG . . . . . . . . . . . . . 64.3 mtp180 -156.47 -69.0 0.11 Allowed 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 108.916 -0.772 . . . . 4.0 108.916 175.693 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 516' ' ' LYS . . . . . 0.603 ' HG2' ' O ' ' A' ' 513' ' ' ALA . 63.2 mmtt 54.11 47.04 24.14 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 115.405 -0.816 . . . . 1.89 110.432 178.934 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 517' ' ' GLY . . . . . . . . . . . . . . . -131.56 128.98 5.52 Favored Glycine 0 N--CA 1.445 -0.713 0 N-CA-C 110.164 -1.174 . . . . 2.04 110.164 175.875 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 518' ' ' ALA . . . . . . . . . . . . . . . 57.55 35.83 26.21 Favored 'General case' 0 C--O 1.232 0.167 0 CA-C-O 121.576 0.703 . . . . 1.75 109.456 -171.159 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 519' ' ' GLY . . . . . . . . . . . . . . . 150.6 113.95 0.64 Allowed Glycine 0 N--CA 1.445 -0.766 0 CA-C-N 115.087 -0.96 . . . . 0.67 111.213 -176.109 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 520' ' ' ARG . . . . . 0.407 HH11 ' HD3' ' A' ' 520' ' ' ARG . 21.6 mtm-85 -122.11 132.99 54.76 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 117.318 0.559 . . . . 2.22 110.676 176.691 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 521' ' ' VAL . . . . . 0.667 HG13 HD21 ' A' ' 599' ' ' LEU . 65.4 t -120.29 126.0 74.8 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 115.636 -0.711 . . . . 0.32 110.772 168.268 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 522' ' ' VAL . . . . . 0.545 ' HB ' ' O ' ' A' ' 561' ' ' LEU . 21.9 t -119.37 121.5 66.64 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.796 0 N-CA-C 107.368 -1.345 . . . . 0.22 107.368 172.452 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 523' ' ' HIS . . . . . . . . . . . . . 39.9 t-80 -106.4 129.91 54.31 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 121.229 0.538 . . . . 0.44 110.884 -172.198 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 524' ' ' ILE . . . . . 0.464 HG23 HG12 ' A' ' 590' ' ' ILE . 32.3 mt -111.11 140.52 30.01 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.918 0 N-CA-C 108.692 -0.855 . . . . 0.19 108.692 179.149 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 525' ' ' CYS . . . . . 0.475 ' O ' ' HB2' ' A' ' 526' ' ' ASN . 4.0 p -140.39 162.75 34.57 Favored 'General case' 0 C--N 1.316 -0.889 0 C-N-CA 120.606 -0.438 . . . . 1.17 111.827 -175.814 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 526' ' ' ASN . . . . . 0.475 ' HB2' ' O ' ' A' ' 525' ' ' CYS . 95.3 m-20 87.62 28.2 0.03 OUTLIER 'General case' 0 N--CA 1.472 0.658 0 O-C-N 124.922 1.389 . . . . 0.26 110.651 177.732 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 527' ' ' LEU . . . . . 0.42 ' HA ' ' HD3' ' A' ' 528' ' ' PRO . 90.0 mt -84.03 125.14 73.47 Favored Pre-proline 0 C--N 1.321 -0.646 0 N-CA-C 108.348 -0.982 . . . . 0.25 108.348 177.118 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 528' ' ' PRO . . . . . 0.42 ' HD3' ' HA ' ' A' ' 527' ' ' LEU . 3.1 Cg_exo -73.5 134.43 20.54 Favored 'Trans proline' 0 N--CA 1.458 -0.6 0 C-N-CA 121.446 1.431 . . . . 0.38 111.678 -178.734 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 529' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -64.61 138.3 58.32 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.029 -0.532 . . . . 1.6 109.568 178.153 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 530' ' ' GLY . . . . . . . . . . . . . . . 85.35 4.72 85.88 Favored Glycine 0 N--CA 1.445 -0.705 0 C-N-CA 120.07 -1.062 . . . . 0.48 111.157 -173.811 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 531' ' ' SER . . . . . . . . . . . . . 50.6 m -150.69 10.22 0.63 Allowed 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.142 0.496 . . . . 1.08 110.292 -176.249 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 532' ' ' CYS . . . . . 0.558 ' HB2' ' HD2' ' A' ' 554' ' ' LYS . 66.6 m -89.77 88.93 7.55 Favored 'General case' 0 N--CA 1.451 -0.417 0 N-CA-C 108.639 -0.874 . . . . 0.25 108.639 178.448 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 533' ' ' THR . . . . . 0.531 ' O ' HG23 ' A' ' 537' ' ' VAL . 72.6 p -102.03 151.1 22.55 Favored 'General case' 0 N--CA 1.443 -0.796 0 N-CA-C 109.018 -0.734 . . . . 0.35 109.018 -178.118 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 534' ' ' GLU . . . . . 0.782 ' HA ' HD11 ' A' ' 552' ' ' LEU . 13.0 mp0 -65.73 -33.78 76.67 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-O 121.472 0.653 . . . . 1.64 109.283 177.838 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 535' ' ' ASN . . . . . . . . . . . . . 64.6 t30 -62.32 -49.3 76.16 Favored 'General case' 0 N--CA 1.447 -0.611 0 CA-C-N 114.599 -1.182 . . . . 1.82 110.911 -176.373 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 536' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -70.42 -42.97 70.91 Favored 'General case' 0 N--CA 1.472 0.635 0 CA-C-O 121.109 0.48 . . . . 0.61 111.808 -173.25 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 537' ' ' VAL . . . . . 0.531 HG23 ' O ' ' A' ' 533' ' ' THR . 34.9 t -59.89 -47.61 90.9 Favored 'Isoleucine or valine' 0 C--O 1.243 0.736 0 CA-C-O 122.14 0.972 . . . . 0.15 109.694 -179.451 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 538' ' ' ILE . . . . . 0.602 HD11 ' CG ' ' A' ' 550' ' ' TYR . 68.0 mt -68.3 -33.1 58.58 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.772 0 CA-C-N 115.056 -0.974 . . . . 0.23 111.323 175.855 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 539' ' ' ASN . . . . . 0.494 ' HA ' HD11 ' A' ' 615' ' ' ILE . 10.2 m120 -57.46 -28.19 63.13 Favored 'General case' 0 CA--C 1.513 -0.446 0 N-CA-C 110.366 -0.235 . . . . 0.25 110.366 177.279 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 540' ' ' LEU . . . . . 0.555 HD11 HD12 ' A' ' 588' ' ' LEU . 74.0 mt -76.45 -41.52 47.08 Favored 'General case' 0 C--N 1.323 -0.567 0 C-N-CA 120.668 -0.413 . . . . 0.27 110.326 174.421 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 541' ' ' GLY . . . . . 0.502 ' HA3' HD21 ' A' ' 561' ' ' LEU . . . -65.95 -52.63 35.98 Favored Glycine 0 CA--C 1.524 0.651 0 N-CA-C 115.533 0.973 . . . . 0.19 115.533 -179.122 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 542' ' ' LEU . . . . . 0.49 HD23 ' H ' ' A' ' 547' ' ' VAL . 48.4 mt -55.63 -47.05 99.53 Favored Pre-proline 0 C--N 1.32 -0.678 0 N-CA-C 115.007 1.484 . . . . 0.2 115.007 -168.711 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 543' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_exo -58.08 -23.79 62.72 Favored 'Trans proline' 0 C--N 1.348 0.529 0 C-N-CA 122.25 1.966 . . . . 0.23 114.303 -176.058 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 544' ' ' PHE . . . . . . . . . . . . . 99.6 m-85 -101.63 -16.57 16.68 Favored 'General case' 0 C--O 1.233 0.207 0 O-C-N 121.916 -0.49 . . . . 0.33 111.131 177.744 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 545' ' ' GLY . . . . . 0.478 ' O ' ' HA ' ' A' ' 542' ' ' LEU . . . -179.47 152.6 11.19 Favored Glycine 0 N--CA 1.448 -0.507 0 C-N-CA 120.723 -0.751 . . . . 0.44 112.004 -179.22 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 546' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -66.18 129.59 40.32 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 120.989 0.423 . . . . 2.07 110.79 -178.481 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 547' ' ' VAL . . . . . 0.617 ' HB ' HG11 ' A' ' 608' ' ' VAL . 72.8 t -86.08 114.66 26.08 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 CA-C-N 115.63 -0.714 . . . . 0.2 110.117 177.752 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 548' ' ' THR . . . . . . . . . . . . . 25.5 p -92.06 -36.33 13.42 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.14 -0.482 . . . . 0.31 111.363 -179.44 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 549' ' ' ASN . . . . . . . . . . . . . 21.1 m120 -145.58 156.77 43.9 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.96 -0.564 . . . . 1.26 110.368 178.642 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 550' ' ' TYR . . . . . 0.602 ' CG ' HD11 ' A' ' 538' ' ' ILE . 3.9 p90 -157.3 150.99 24.21 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 116.109 -0.496 . . . . 0.31 109.708 -179.038 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 551' ' ' ILE . . . . . 0.449 ' HB ' ' HB2' ' A' ' 560' ' ' PHE . 52.0 mt -144.05 123.81 8.14 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 N-CA-C 108.04 -1.096 . . . . 0.22 108.04 -179.857 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 552' ' ' LEU . . . . . 0.782 HD11 ' HA ' ' A' ' 534' ' ' GLU . 21.0 mt -108.06 130.47 55.08 Favored 'General case' 0 C--N 1.313 -1.003 0 C-N-CA 119.074 -1.05 . . . . 0.43 110.322 179.988 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 553' ' ' MET . . . . . 0.531 ' HA ' " H4'" ' B' ' 5' ' ' ' U' . 65.7 mtm -109.19 83.31 1.73 Allowed 'General case' 0 C--N 1.318 -0.78 0 N-CA-C 108.695 -0.854 . . . . 1.03 108.695 179.179 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 554' ' ' LYS . . . . . 0.558 ' HD2' ' HB2' ' A' ' 532' ' ' CYS . 20.8 mmtp -53.17 -28.07 24.52 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 114.703 -1.135 . . . . 1.03 112.174 175.948 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 555' ' ' SER . . . . . . . . . . . . . 64.1 p -69.16 -44.09 72.96 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.71 0.29 . . . . 0.51 111.505 -175.869 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 556' ' ' THR . . . . . . . . . . . . . 41.8 p -98.75 4.13 47.69 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 112.372 0.508 . . . . 0.45 112.372 -174.895 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 557' ' ' ASN . . . . . . . . . . . . . 40.2 m-80 58.72 37.86 25.04 Favored 'General case' 0 N--CA 1.467 0.419 0 CA-C-O 121.585 0.707 . . . . 1.28 110.416 -176.657 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 558' ' ' GLN . . . . . . . . . . . . . 77.8 mt-30 -143.65 167.19 22.84 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.224 -0.898 . . . . 0.84 109.193 -176.56 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 559' ' ' ALA . . . . . . . . . . . . . . . -157.77 166.53 32.5 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 112.601 0.593 . . . . 0.16 112.601 -175.475 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 560' ' ' PHE . . . . . 0.449 ' HB2' ' HB ' ' A' ' 551' ' ' ILE . 89.7 m-85 -120.32 143.31 48.44 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.278 -0.874 . . . . 0.35 110.443 177.624 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 561' ' ' LEU . . . . . 0.545 ' O ' ' HB ' ' A' ' 522' ' ' VAL . 61.2 tp -135.83 119.74 17.43 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.999 -0.546 . . . . 0.2 110.34 -178.692 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 562' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -102.51 136.38 42.44 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.152 0.501 . . . . 2.09 110.204 177.317 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 563' ' ' MET . . . . . 0.63 ' SD ' ' HA ' ' A' ' 569' ' ' ALA . 34.9 mtt -120.1 163.43 17.69 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.52 -0.764 . . . . 0.39 109.801 -172.424 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 564' ' ' ALA . . . . . . . . . . . . . . . -62.95 -43.24 99.33 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 118.203 0.456 . . . . 0.5 111.698 -172.6 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 565' ' ' TYR . . . . . . . . . . . . . 89.1 m-85 -135.45 161.99 33.9 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 120.975 0.417 . . . . 1.15 111.148 -179.347 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 566' ' ' THR . . . . . . . . . . . . . 14.1 t -64.7 -27.95 69.26 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-N 115.634 -0.712 . . . . 0.57 110.8 -178.499 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 567' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -58.84 -32.62 69.58 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-N 116.06 -0.518 . . . . 0.89 111.089 178.619 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 568' ' ' ALA . . . . . 0.672 ' O ' ' HG3' ' A' ' 572' ' ' MET . . . -73.79 -41.53 62.25 Favored 'General case' 0 N--CA 1.45 -0.467 0 CA-C-N 116.115 -0.493 . . . . 0.26 110.056 -178.506 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 569' ' ' ALA . . . . . 0.63 ' HA ' ' SD ' ' A' ' 563' ' ' MET . . . -63.32 -46.08 88.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.853 -0.612 . . . . 0.24 111.292 -176.325 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 570' ' ' GLN . . . . . . . . . . . . . 17.0 pt20 -68.24 -36.4 79.4 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.188 -0.46 . . . . 1.24 110.654 -178.265 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 571' ' ' ALA . . . . . . . . . . . . . . . -64.5 -44.77 89.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.124 -0.489 . . . . 0.31 111.133 179.893 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 572' ' ' MET . . . . . 0.672 ' HG3' ' O ' ' A' ' 568' ' ' ALA . 26.1 mtt -69.18 -42.62 75.6 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.539 -0.3 . . . . 0.47 110.805 -178.938 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 573' ' ' VAL . . . . . 0.517 HG23 ' O ' ' A' ' 569' ' ' ALA . 75.1 t -59.38 -46.53 92.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 N-CA-C 110.315 -0.254 . . . . 0.34 110.315 179.199 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 574' ' ' GLN . . . . . 0.421 ' HA ' ' OE1' ' A' ' 574' ' ' GLN . 14.6 mm-40 -61.14 -38.07 85.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.954 0.406 . . . . 2.09 110.722 178.039 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 575' ' ' TYR . . . . . . . . . . . . . 87.9 t80 -69.48 -53.16 20.54 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.761 -0.654 . . . . 0.48 111.366 -178.05 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 576' ' ' TYR . . . . . 0.509 ' CD2' HD12 ' A' ' 590' ' ' ILE . 94.5 m-85 -77.01 -13.79 59.91 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 112.997 0.74 . . . . 0.36 112.997 -174.378 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 577' ' ' GLN . . . . . 0.496 ' HG3' ' O ' ' A' ' 573' ' ' VAL . 48.3 mt-30 -75.03 -32.19 61.52 Favored 'General case' 0 C--N 1.326 -0.435 0 C-N-CA 120.061 -0.656 . . . . 1.89 109.419 171.786 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 578' ' ' GLU . . . . . . . . . . . . . 17.3 mm-40 -89.91 -38.94 13.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.943 -0.572 . . . . 2.14 111.516 176.181 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 579' ' ' LYS . . . . . . . . . . . . . 58.8 mtpt -134.31 85.56 38.2 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 116.719 -0.218 . . . . 2.46 110.864 -179.624 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 580' ' ' PRO . . . . . . . . . . . . . 36.4 Cg_endo -65.71 160.1 45.18 Favored 'Trans proline' 0 C--O 1.233 0.259 0 C-N-CA 122.826 2.351 . . . . 0.37 112.388 178.683 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 581' ' ' ALA . . . . . . . . . . . . . . . -93.04 144.82 24.88 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.352 -0.385 . . . . 0.27 110.195 -179.994 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 582' ' ' ILE . . . . . . . . . . . . . 59.1 mt -101.27 121.82 52.61 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 N-CA-C 111.865 0.32 . . . . 0.51 111.865 -176.937 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 583' ' ' ILE . . . . . 0.455 ' CG1' HD11 ' A' ' 588' ' ' LEU . 30.3 mm -126.78 111.16 25.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 N-CA-C 109.139 -0.689 . . . . 0.51 109.139 170.16 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 584' ' ' ASN . . . . . . . . . . . . . 83.6 m-20 56.13 35.77 26.25 Favored 'General case' 0 N--CA 1.464 0.275 0 CA-C-O 121.533 0.682 . . . . 1.1 110.514 -179.387 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 585' ' ' GLY . . . . . . . . . . . . . . . 83.8 6.91 86.53 Favored Glycine 0 N--CA 1.443 -0.849 0 CA-C-N 115.307 -0.861 . . . . 0.44 113.546 177.287 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 586' ' ' GLU . . . . . . . . . . . . . 20.3 mm-40 -101.14 125.07 47.73 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 117.367 0.583 . . . . 1.79 110.593 177.353 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 587' ' ' LYS . . . . . . . . . . . . . 74.0 mmtt -74.56 111.39 9.7 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.679 -0.692 . . . . 1.67 110.51 174.497 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 588' ' ' LEU . . . . . 0.555 HD12 HD11 ' A' ' 540' ' ' LEU . 56.1 mt -78.54 134.4 37.26 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.791 0.329 . . . . 0.24 110.767 -178.957 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 589' ' ' LEU . . . . . 0.453 ' HB3' ' SG ' ' A' ' 525' ' ' CYS . 57.9 tp -112.8 114.24 26.7 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.05 -0.523 . . . . 0.38 110.864 -178.191 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 590' ' ' ILE . . . . . 0.509 HD12 ' CD2' ' A' ' 576' ' ' TYR . 21.6 mt -100.35 120.88 50.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 N-CA-C 109.938 -0.393 . . . . 0.26 109.938 175.847 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 591' ' ' ARG . . . . . . . . . . . . . 69.4 mtp180 -146.89 165.42 29.81 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 109.633 -0.506 . . . . 2.62 109.633 -177.707 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 592' ' ' MET . . . . . 0.483 ' SD ' ' HB1' ' A' ' 513' ' ' ALA . 55.7 mtt -83.01 141.74 31.86 Favored 'General case' 0 C--N 1.319 -0.761 0 C-N-CA 120.911 -0.316 . . . . 0.34 110.54 -178.141 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 593' ' ' SER . . . . . . . . . . . . . 48.3 t -79.22 133.32 36.68 Favored 'General case' 0 C--O 1.239 0.521 0 CA-C-O 121.213 0.53 . . . . 1.37 111.166 -177.845 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 594' ' ' THR . . . . . . . . . . . . . 19.4 p -90.0 -14.95 32.9 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 114.578 -1.192 . . . . 0.38 111.342 179.179 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 595' ' ' ARG . . . . . . . . . . . . . 94.4 mtt180 -100.92 -29.53 12.16 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.758 0.313 . . . . 2.75 111.822 -173.084 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 596' ' ' TYR . . . . . . . . . . . . . 68.5 m-85 -118.87 143.29 47.06 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.424 0.631 . . . . 0.65 112.112 -175.663 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 597' ' ' LYS . . . . . . . . . . . . . 24.6 mmtp -107.5 -21.5 12.88 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 114.873 -1.058 . . . . 2.18 110.16 179.762 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 598' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -142.31 150.87 41.39 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.981 0.419 . . . . 0.95 110.812 -175.89 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 599' ' ' LEU . . . . . 0.667 HD21 HG13 ' A' ' 521' ' ' VAL . 74.0 mt -111.56 121.14 44.37 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.737 -0.665 . . . . 0.45 110.65 177.733 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 600' ' ' GLN . . . . . . . . . . . . . 28.8 tt0 -112.01 114.01 26.64 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.894 -0.593 . . . . 1.52 110.346 179.771 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 601' ' ' LEU . . . . . . . . . . . . . 57.6 mt -72.18 105.98 4.21 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.886 0.374 . . . . 0.46 111.039 179.186 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 602' ' ' LYS . . . . . . . . . . . . . 55.8 mtmt -90.33 -11.05 41.83 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 121.279 0.562 . . . . 1.73 110.069 174.01 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 603' ' ' LYS . . . . . 0.475 ' HE3' ' N3 ' ' B' ' 6' ' ' ' A' . 74.3 mmtt -119.83 148.05 45.53 Favored Pre-proline 0 C--N 1.325 -0.499 0 CA-C-N 115.468 -0.787 . . . . 1.69 109.706 177.605 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 604' ' ' PRO . . . . . . . . . . . . . 40.5 Cg_endo -67.57 149.3 79.57 Favored 'Trans proline' 0 C--N 1.344 0.339 0 C-N-CA 122.517 2.145 . . . . 1.21 112.221 -179.472 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 605' ' ' GLY . . . . . . . . . . . . . . . -114.04 176.94 17.47 Favored Glycine 0 N--CA 1.437 -1.293 0 C-N-CA 120.834 -0.698 . . . . 1.23 111.492 -177.68 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 606' ' ' LYS . . . . . . . . . . . . . 32.8 mmtp -115.15 158.5 22.12 Favored 'General case' 0 C--N 1.307 -1.239 0 N-CA-C 108.684 -0.858 . . . . 3.47 108.684 179.533 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 607' ' ' ASN . . . . . . . . . . . . . 32.0 t30 -57.43 120.61 8.53 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.295 0.569 . . . . 1.33 110.885 176.056 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 608' ' ' VAL . . . . . 0.617 HG11 ' HB ' ' A' ' 547' ' ' VAL . 95.3 t -86.05 -18.44 8.83 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 CA-C-N 115.281 -0.872 . . . . 0.3 111.053 -175.786 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 609' ' ' ALA . . . . . . . . . . . . . . . -63.05 -34.67 78.08 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.291 0.567 . . . . 0.44 110.501 175.625 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 610' ' ' ALA . . . . . . . . . . . . . . . -65.55 -27.31 68.35 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.659 -0.7 . . . . 0.4 110.334 177.168 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 611' ' ' ILE . . . . . 0.441 ' O ' HG13 ' A' ' 615' ' ' ILE . 74.3 mt -71.97 -32.14 43.03 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.466 0 CA-C-N 115.629 -0.714 . . . . 0.25 109.951 178.047 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 612' ' ' ILE . . . . . 0.467 HG12 HD13 ' A' ' 542' ' ' LEU . 63.3 mt -61.11 -44.27 97.96 Favored 'Isoleucine or valine' 0 C--O 1.235 0.298 0 CA-C-O 121.108 0.48 . . . . 0.31 110.1 173.348 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 613' ' ' GLN . . . . . . . . . . . . . 25.4 mt-30 -63.39 -30.28 71.44 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.66 -0.7 . . . . 2.31 109.907 176.331 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 614' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -69.64 -44.52 70.42 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 114.739 -1.119 . . . . 1.95 110.137 -179.035 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 615' ' ' ILE . . . . . 0.494 HD11 ' HA ' ' A' ' 539' ' ' ASN . 88.0 mt -61.34 -48.55 88.38 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.246 0 CA-C-N 115.954 -0.566 . . . . 0.35 110.61 178.675 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 616' ' ' HIS . . . . . . . . . . . . . 14.7 m170 -63.54 -29.06 70.38 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.586 -0.734 . . . . 1.26 111.256 -177.835 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 617' ' ' SER . . . . . . . . . . . . . 11.2 t -69.48 -34.94 75.09 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.167 -0.469 . . . . 1.18 110.202 178.254 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 618' ' ' GLN . . . . . . . . . . . . . 85.8 mm-40 -83.81 -59.19 2.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.018 -0.537 . . . . 4.68 110.81 178.703 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 619' ' ' ARG . . . . . . . . . . . . . 53.4 mtm180 -123.75 106.44 10.51 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.37 -0.377 . . . . 7.77 110.145 -179.777 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 620' ' ' GLU . . . . . . . . . . . . . 42.9 tt0 -88.87 140.58 29.29 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 109.952 -0.388 . . . . 7.92 109.952 174.912 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 621' ' ' ARG . . . . . . . . . . . . . 23.5 mtm180 . . . . . 0 C--O 1.249 1.073 0 CA-C-O 118.368 -0.825 . . . . 11.0 110.114 179.778 . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' B' B ' 1' ' ' ADN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' B' B ' 2' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.953 0 C3'-C2'-C1' 99.523 -2.197 . 0.0 '__' . 2.99 . . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' B' B ' 3' ' ' ' C' . . . . . 0.604 ' O2 ' ' HB3' ' A' ' 593' ' ' SER . . . . . . . . 0 O5'--C5' 1.426 -0.899 0 C4'-C3'-C2' 103.813 1.113 . 0.0 OUTLIER . 1.58 . . . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 4' ' ' ' U' . . . . . 0.44 HO2' ' HE2' ' A' ' 602' ' ' LYS . . . . . . . . 0 O5'--C5' 1.426 -0.901 0 O4'-C1'-N19 110.264 2.064 . 0.0 OUTLIER gamma 1.15 . . . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 5' ' ' ' U' . . . . . 0.587 ' N3 ' HG23 ' A' ' 551' ' ' ILE . . . . . . . . 0 O5'--C5' 1.426 -0.869 0 C4'-C3'-C2' 104.075 1.375 . 0.109 4b . 1.33 . . . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 6' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.941 0 C3'-C2'-C1' 100.643 -0.952 . 0.338 2[ . 4.23 . . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' A' A ' 510' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 2.0 0 N-CA-C 112.664 -0.174 . . . . 8.88 112.664 . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' A' A ' 511' ' ' ALA . . . . . . . . . . . . . . . -86.67 -35.69 19.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.818 0.342 . . . . 6.64 111.095 179.943 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 512' ' ' MET . . . . . . . . . . . . . 23.7 ptt? -89.56 92.68 9.19 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.264 0.554 . . . . 6.33 110.468 179.799 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 513' ' ' ALA . . . . . . . . . . . . . . . 67.8 -175.74 0.2 Allowed 'General case' 0 C--O 1.236 0.345 0 CA-C-N 115.158 -0.928 . . . . 4.2 111.12 -178.26 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 514' ' ' GLN . . . . . 0.452 ' OE1' ' HA ' ' A' ' 594' ' ' THR . 15.4 mm100 72.13 -62.19 0.47 Allowed 'General case' 0 N--CA 1.467 0.377 0 C-N-CA 123.375 0.67 . . . . 2.88 111.421 -178.816 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 515' ' ' ARG . . . . . . . . . . . . . 33.6 mmt180 51.07 48.97 22.1 Favored 'General case' 0 N--CA 1.465 0.298 0 O-C-N 123.546 0.528 . . . . 4.0 111.717 174.514 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 516' ' ' LYS . . . . . . . . . . . . . 40.4 mmtm -91.17 34.21 0.94 Allowed 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.144 -0.48 . . . . 1.89 111.314 -175.583 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 517' ' ' GLY . . . . . . . . . . . . . . . -124.04 19.41 7.32 Favored Glycine 0 N--CA 1.45 -0.428 0 C-N-CA 120.854 -0.688 . . . . 2.04 111.56 175.394 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 518' ' ' ALA . . . . . . . . . . . . . . . -161.99 66.61 0.25 Allowed 'General case' 0 C--N 1.312 -1.062 0 N-CA-C 107.829 -1.174 . . . . 1.75 107.829 179.557 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 519' ' ' GLY . . . . . . . . . . . . . . . 102.1 133.81 8.2 Favored Glycine 0 N--CA 1.44 -1.034 0 N-CA-C 109.286 -1.526 . . . . 0.67 109.286 -164.036 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 520' ' ' ARG . . . . . . . . . . . . . 22.1 mtm-85 -135.55 133.2 38.12 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 117.813 0.806 . . . . 2.22 111.162 179.304 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 521' ' ' VAL . . . . . 0.833 HG13 HD21 ' A' ' 599' ' ' LEU . 90.5 t -117.19 120.29 64.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-N 115.565 -0.743 . . . . 0.32 110.409 172.302 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 522' ' ' VAL . . . . . 0.512 ' HB ' ' O ' ' A' ' 561' ' ' LEU . 21.9 t -121.44 121.78 65.53 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.811 0 N-CA-C 108.255 -1.017 . . . . 0.22 108.255 176.003 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 523' ' ' HIS . . . . . 0.417 ' HD2' ' CE1' ' A' ' 560' ' ' PHE . 59.3 t-80 -105.86 134.05 49.6 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.139 0.495 . . . . 0.44 110.664 -174.559 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 524' ' ' ILE . . . . . 0.487 HG23 HG12 ' A' ' 590' ' ' ILE . 24.9 mt -111.26 137.94 41.7 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.786 0 N-CA-C 108.42 -0.955 . . . . 0.19 108.42 177.748 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 525' ' ' CYS . . . . . 0.406 ' O ' ' HB2' ' A' ' 526' ' ' ASN . 0.0 OUTLIER -132.65 159.48 39.47 Favored 'General case' 0 C--N 1.319 -0.76 0 C-N-CA 120.539 -0.464 . . . . 1.17 111.639 -170.522 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 526' ' ' ASN . . . . . 0.406 ' HB2' ' O ' ' A' ' 525' ' ' CYS . 81.6 m-20 84.58 30.55 0.06 Allowed 'General case' 0 N--CA 1.47 0.554 0 O-C-N 124.768 1.293 . . . . 0.26 111.078 172.683 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 527' ' ' LEU . . . . . 0.418 ' HA ' ' HD3' ' A' ' 528' ' ' PRO . 84.5 mt -84.17 125.59 71.99 Favored Pre-proline 0 C--N 1.324 -0.502 0 CA-C-N 115.878 -0.601 . . . . 0.25 109.681 179.7 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 528' ' ' PRO . . . . . 0.418 ' HD3' ' HA ' ' A' ' 527' ' ' LEU . 3.1 Cg_exo -71.02 134.53 25.51 Favored 'Trans proline' 0 N--CA 1.458 -0.586 0 C-N-CA 121.558 1.505 . . . . 0.38 111.595 -178.136 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 529' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -66.63 138.35 57.38 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 109.449 -0.574 . . . . 1.6 109.449 176.832 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 530' ' ' GLY . . . . . . . . . . . . . . . 84.88 5.41 86.29 Favored Glycine 0 N--CA 1.445 -0.719 0 C-N-CA 119.995 -1.098 . . . . 0.48 110.721 -172.408 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 531' ' ' SER . . . . . . . . . . . . . 26.3 m -150.44 9.51 0.63 Allowed 'General case' 0 N--CA 1.452 -0.366 0 CA-C-O 121.13 0.491 . . . . 1.08 110.248 -175.635 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 532' ' ' CYS . . . . . . . . . . . . . 81.0 m -89.28 87.3 7.08 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 108.993 -0.743 . . . . 0.25 108.993 177.965 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 533' ' ' THR . . . . . 0.574 ' O ' HG23 ' A' ' 537' ' ' VAL . 82.8 p -104.32 149.04 25.7 Favored 'General case' 0 C--N 1.321 -0.66 0 C-N-CA 120.428 -0.509 . . . . 0.35 109.769 -179.809 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 534' ' ' GLU . . . . . 0.553 ' N ' HD11 ' A' ' 552' ' ' LEU . 38.5 mt-10 -67.86 -35.89 79.35 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.913 -0.585 . . . . 1.64 109.972 179.942 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 535' ' ' ASN . . . . . . . . . . . . . 58.7 t30 -59.92 -49.86 76.03 Favored 'General case' 0 C--O 1.217 -0.642 0 CA-C-N 114.915 -1.039 . . . . 1.82 110.937 -176.988 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 536' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -71.99 -40.73 68.35 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-O 121.152 0.501 . . . . 0.61 112.046 -172.64 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 537' ' ' VAL . . . . . 0.574 HG23 ' O ' ' A' ' 533' ' ' THR . 46.9 t -59.37 -48.09 88.31 Favored 'Isoleucine or valine' 0 C--O 1.244 0.807 0 CA-C-O 122.097 0.951 . . . . 0.15 109.651 178.757 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 538' ' ' ILE . . . . . 0.733 HD11 ' CG ' ' A' ' 550' ' ' TYR . 39.0 mt -67.93 -32.43 56.31 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.821 0 CA-C-N 115.157 -0.928 . . . . 0.23 111.203 174.986 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 539' ' ' ASN . . . . . 0.422 ' HA ' HD11 ' A' ' 615' ' ' ILE . 10.0 m120 -56.92 -28.48 62.08 Favored 'General case' 0 CA--C 1.514 -0.42 0 N-CA-C 110.13 -0.322 . . . . 0.25 110.13 176.815 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 540' ' ' LEU . . . . . 0.487 HD11 HD12 ' A' ' 588' ' ' LEU . 94.8 mt -76.11 -41.96 48.62 Favored 'General case' 0 N--CA 1.445 -0.691 0 C-N-CA 120.647 -0.421 . . . . 0.27 110.06 174.696 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 541' ' ' GLY . . . . . 0.653 ' HA3' HD21 ' A' ' 561' ' ' LEU . . . -66.51 -52.58 33.91 Favored Glycine 0 CA--C 1.525 0.665 0 N-CA-C 115.906 1.122 . . . . 0.19 115.906 -178.346 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 542' ' ' LEU . . . . . 0.568 ' HB2' ' CD1' ' A' ' 615' ' ' ILE . 45.2 mt -56.83 -43.64 99.45 Favored Pre-proline 0 C--N 1.32 -0.68 0 N-CA-C 114.945 1.461 . . . . 0.2 114.945 -168.329 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 543' ' ' PRO . . . . . 0.45 ' HG3' HG21 ' A' ' 615' ' ' ILE . 52.0 Cg_exo -59.38 -26.34 81.59 Favored 'Trans proline' 0 C--N 1.35 0.629 0 C-N-CA 121.993 1.796 . . . . 0.23 113.487 -177.891 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 544' ' ' PHE . . . . . . . . . . . . . 94.7 m-85 -99.4 -13.98 19.34 Favored 'General case' 0 C--N 1.33 -0.25 0 O-C-N 122.145 -0.347 . . . . 0.33 111.386 178.24 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 545' ' ' GLY . . . . . 0.545 ' O ' ' HA ' ' A' ' 542' ' ' LEU . . . 176.24 155.84 14.01 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.41 -0.9 . . . . 0.44 112.799 -178.687 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 546' ' ' LYS . . . . . . . . . . . . . 86.9 tttt -65.73 127.34 31.56 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.142 0.496 . . . . 2.07 111.604 -179.681 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 547' ' ' VAL . . . . . 0.586 HG21 HG23 ' A' ' 538' ' ' ILE . 79.4 t -90.38 115.99 30.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 115.5 -0.773 . . . . 0.2 110.811 176.407 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 548' ' ' THR . . . . . . . . . . . . . 21.5 p -92.57 -35.08 13.76 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 112.191 0.441 . . . . 0.31 112.191 178.498 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 549' ' ' ASN . . . . . 0.457 ' OD1' HD11 ' A' ' 601' ' ' LEU . 90.4 m-20 -142.71 162.46 35.4 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.042 0.448 . . . . 1.26 110.991 179.332 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 550' ' ' TYR . . . . . 0.733 ' CG ' HD11 ' A' ' 538' ' ' ILE . 1.7 p90 -160.38 151.06 18.58 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.61 -0.723 . . . . 0.31 109.858 -179.976 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 551' ' ' ILE . . . . . 0.587 HG23 ' N3 ' ' B' ' 5' ' ' ' U' . 60.4 mt -144.2 127.23 11.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 N-CA-C 108.201 -1.036 . . . . 0.22 108.201 -178.234 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 552' ' ' LEU . . . . . 0.553 HD11 ' N ' ' A' ' 534' ' ' GLU . 27.9 mt -106.25 124.43 49.57 Favored 'General case' 0 C--N 1.31 -1.145 0 C-N-CA 119.932 -0.707 . . . . 0.43 110.312 179.279 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 553' ' ' MET . . . . . . . . . . . . . 30.1 mtp -104.63 80.37 1.66 Allowed 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 108.435 -0.95 . . . . 1.03 108.435 -179.88 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 554' ' ' LYS . . . . . . . . . . . . . 26.1 mmtp -53.92 -28.67 38.29 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 114.768 -1.106 . . . . 1.03 112.589 175.557 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 555' ' ' SER . . . . . . . . . . . . . 65.7 p -68.88 -44.85 72.41 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 111.755 0.279 . . . . 0.51 111.755 -174.099 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 556' ' ' THR . . . . . . . . . . . . . 44.4 p -104.78 8.67 34.99 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 112.809 0.67 . . . . 0.45 112.809 -174.166 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 557' ' ' ASN . . . . . . . . . . . . . 18.5 m120 59.94 40.61 18.77 Favored 'General case' 0 N--CA 1.469 0.518 0 CA-C-O 121.597 0.713 . . . . 1.28 110.25 -176.355 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 558' ' ' GLN . . . . . 0.41 ' HB3' ' NE2' ' A' ' 523' ' ' HIS . 77.1 mt-30 -135.45 167.82 20.37 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.091 -0.959 . . . . 0.84 109.412 -175.644 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 559' ' ' ALA . . . . . . . . . . . . . . . -159.14 165.66 33.25 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.115 0.483 . . . . 0.16 111.776 176.462 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 560' ' ' PHE . . . . . 0.54 ' HB2' ' HB ' ' A' ' 551' ' ' ILE . 91.7 m-85 -119.89 148.51 43.4 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.589 -0.732 . . . . 0.35 110.875 176.53 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 561' ' ' LEU . . . . . 0.653 HD21 ' HA3' ' A' ' 541' ' ' GLY . 50.6 tp -137.8 119.58 15.2 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.348 -0.842 . . . . 0.2 110.0 179.809 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 562' ' ' GLU . . . . . 0.588 ' HB2' HD12 ' A' ' 599' ' ' LEU . 30.4 tt0 -99.13 128.08 45.2 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.343 0.592 . . . . 2.09 110.421 179.598 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 563' ' ' MET . . . . . 0.7 ' SD ' ' HA ' ' A' ' 569' ' ' ALA . 36.6 mtt -112.93 152.25 29.56 Favored 'General case' 0 C--N 1.316 -0.864 0 CA-C-N 115.216 -0.902 . . . . 0.39 109.234 -176.684 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 564' ' ' ALA . . . . . . . . . . . . . . . -73.76 -16.64 61.16 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.044 -0.525 . . . . 0.5 111.971 -170.423 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 565' ' ' TYR . . . . . 0.439 ' CB ' ' HG2' ' A' ' 567' ' ' GLU . 72.7 m-85 -143.41 148.05 35.56 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 109.883 -0.414 . . . . 1.15 109.883 -178.797 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 566' ' ' THR . . . . . . . . . . . . . 14.5 t -67.58 -27.38 66.88 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.175 -0.466 . . . . 0.57 110.197 179.147 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 567' ' ' GLU . . . . . 0.439 ' HG2' ' CB ' ' A' ' 565' ' ' TYR . 11.4 pt-20 -58.83 -32.7 69.63 Favored 'General case' 0 CA--C 1.526 0.052 0 CA-C-N 115.737 -0.665 . . . . 0.89 110.704 175.855 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 568' ' ' ALA . . . . . 0.689 ' O ' ' HG3' ' A' ' 572' ' ' MET . . . -74.01 -42.97 59.55 Favored 'General case' 0 N--CA 1.448 -0.528 0 CA-C-N 115.839 -0.619 . . . . 0.26 109.84 -177.866 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 569' ' ' ALA . . . . . 0.7 ' HA ' ' SD ' ' A' ' 563' ' ' MET . . . -62.74 -46.04 89.91 Favored 'General case' 0 N--CA 1.45 -0.459 0 CA-C-N 115.546 -0.752 . . . . 0.24 111.449 -176.135 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 570' ' ' GLN . . . . . 0.477 ' O ' ' HG2' ' A' ' 574' ' ' GLN . 13.5 pt20 -69.12 -36.67 77.75 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.387 -0.37 . . . . 1.24 110.644 -178.012 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 571' ' ' ALA . . . . . . . . . . . . . . . -64.01 -44.16 93.45 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.197 -0.456 . . . . 0.31 111.266 -178.665 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 572' ' ' MET . . . . . 0.689 ' HG3' ' O ' ' A' ' 568' ' ' ALA . 24.7 mtt -68.5 -40.92 80.69 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.356 -0.384 . . . . 0.47 110.291 -179.375 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 573' ' ' VAL . . . . . 0.621 ' O ' ' HG2' ' A' ' 577' ' ' GLN . 85.9 t -59.65 -48.3 87.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 N-CA-C 110.104 -0.332 . . . . 0.34 110.104 178.066 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 574' ' ' GLN . . . . . 0.477 ' HG2' ' O ' ' A' ' 570' ' ' GLN . 12.9 mm-40 -61.63 -37.32 83.55 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.846 0.355 . . . . 2.09 111.056 -179.257 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 575' ' ' TYR . . . . . . . . . . . . . 82.2 t80 -67.98 -51.7 44.28 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.005 -0.543 . . . . 0.48 110.167 -178.617 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 576' ' ' TYR . . . . . 0.553 ' CE2' HD12 ' A' ' 590' ' ' ILE . 58.6 m-85 -76.38 -13.88 60.11 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 112.603 0.594 . . . . 0.36 112.603 -176.636 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 577' ' ' GLN . . . . . 0.621 ' HG2' ' O ' ' A' ' 573' ' ' VAL . 17.4 mm-40 -64.33 -44.03 92.79 Favored 'General case' 0 C--N 1.332 -0.18 0 N-CA-C 109.268 -0.641 . . . . 1.89 109.268 171.024 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 578' ' ' GLU . . . . . . . . . . . . . 14.3 mm-40 -89.37 -38.69 13.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.453 -0.794 . . . . 2.14 111.614 -179.941 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 579' ' ' LYS . . . . . 0.528 ' O ' ' HA ' ' A' ' 576' ' ' TYR . 63.3 mttp -131.02 90.55 39.01 Favored Pre-proline 0 C--N 1.325 -0.498 0 N-CA-C 110.164 -0.31 . . . . 2.46 110.164 178.835 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 580' ' ' PRO . . . . . . . . . . . . . 38.9 Cg_endo -66.63 160.97 43.63 Favored 'Trans proline' 0 C--O 1.234 0.292 0 C-N-CA 122.735 2.29 . . . . 0.37 112.419 -178.634 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 581' ' ' ALA . . . . . 0.531 ' HB2' ' CE1' ' A' ' 576' ' ' TYR . . . -91.01 137.13 32.6 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.183 -0.462 . . . . 0.27 109.919 179.431 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 582' ' ' ILE . . . . . . . . . . . . . 34.9 mt -106.28 119.65 56.03 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 CA-C-O 120.909 0.385 . . . . 0.51 111.906 -173.714 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 583' ' ' ILE . . . . . 0.43 ' CG1' HD11 ' A' ' 588' ' ' LEU . 29.1 mm -124.69 112.37 31.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 115.717 -0.674 . . . . 0.51 109.547 172.112 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 584' ' ' ASN . . . . . . . . . . . . . 95.0 m-20 54.64 41.06 32.19 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 121.645 0.736 . . . . 1.1 110.545 -179.922 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 585' ' ' GLY . . . . . . . . . . . . . . . 81.85 2.02 90.42 Favored Glycine 0 N--CA 1.446 -0.66 0 CA-C-N 114.854 -1.066 . . . . 0.44 113.92 176.174 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 586' ' ' GLU . . . . . . . . . . . . . 51.3 mm-40 -99.74 126.27 45.77 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 117.481 0.641 . . . . 1.79 110.856 -179.665 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 587' ' ' LYS . . . . . . . . . . . . . 72.5 mmtt -75.26 110.24 9.44 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.321 -0.854 . . . . 1.67 110.223 175.544 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 588' ' ' LEU . . . . . 0.487 HD12 HD11 ' A' ' 540' ' ' LEU . 63.0 mt -81.5 137.03 35.63 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 121.028 0.442 . . . . 0.24 110.587 -179.013 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 589' ' ' LEU . . . . . . . . . . . . . 43.8 tp -112.7 112.08 23.34 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.709 -0.678 . . . . 0.38 110.709 -177.93 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 590' ' ' ILE . . . . . 0.553 HD12 ' CE2' ' A' ' 576' ' ' TYR . 15.8 mt -101.84 121.04 52.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 N-CA-C 110.094 -0.336 . . . . 0.26 110.094 176.769 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 591' ' ' ARG . . . . . 0.426 ' HA ' HG22 ' A' ' 573' ' ' VAL . 99.3 mtt180 -147.57 165.16 31.19 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.82 0.343 . . . . 2.62 110.667 -177.818 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 592' ' ' MET . . . . . . . . . . . . . 60.8 mtt -82.29 139.01 34.42 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.135 -0.484 . . . . 0.34 109.789 -179.956 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 593' ' ' SER . . . . . 0.604 ' HB3' ' O2 ' ' B' ' 3' ' ' ' C' . 38.3 m -85.02 139.78 31.51 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.32 0.581 . . . . 1.37 111.912 -176.54 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 594' ' ' THR . . . . . 0.452 ' HA ' ' OE1' ' A' ' 514' ' ' GLN . 18.4 p -91.66 -15.47 28.46 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 114.658 -1.155 . . . . 0.38 112.603 -175.54 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 595' ' ' ARG . . . . . . . . . . . . . 68.9 mtp180 -103.57 -28.03 11.98 Favored 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 120.551 -0.46 . . . . 2.75 112.138 -172.117 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 596' ' ' TYR . . . . . . . . . . . . . 50.8 m-85 -118.25 150.23 39.8 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.164 0.507 . . . . 0.65 111.576 -178.951 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 597' ' ' LYS . . . . . 0.441 ' C ' HG23 ' A' ' 521' ' ' VAL . 7.6 mtmm -107.64 -26.18 10.98 Favored 'General case' 0 C--O 1.219 -0.502 0 CA-C-N 115.369 -0.832 . . . . 2.18 111.305 -178.314 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 598' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -142.65 150.77 40.66 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.87 0.367 . . . . 0.95 110.695 -179.926 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 599' ' ' LEU . . . . . 0.833 HD21 HG13 ' A' ' 521' ' ' VAL . 63.4 mt -95.33 124.19 39.24 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.698 -0.683 . . . . 0.45 111.628 179.816 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 600' ' ' GLN . . . . . . . . . . . . . 20.6 tt0 -103.06 124.19 48.06 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 114.906 -1.043 . . . . 1.52 110.651 -179.827 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 601' ' ' LEU . . . . . 0.457 HD11 ' OD1' ' A' ' 549' ' ' ASN . 86.7 mt -82.49 94.88 7.55 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.587 -0.279 . . . . 0.46 111.028 178.428 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 602' ' ' LYS . . . . . 0.44 ' HE2' HO2' ' B' ' 4' ' ' ' U' . 50.0 mtmt -79.36 -18.91 51.48 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 109.124 -0.695 . . . . 1.73 109.124 169.818 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 603' ' ' LYS . . . . . . . . . . . . . 34.9 mmtp -119.66 130.05 25.05 Favored Pre-proline 0 C--N 1.325 -0.487 0 CA-C-N 115.02 -0.991 . . . . 1.69 108.608 174.254 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 604' ' ' PRO . . . . . . . . . . . . . 33.2 Cg_endo -64.71 169.89 10.8 Favored 'Trans proline' 0 C--O 1.235 0.357 0 C-N-CA 122.631 2.221 . . . . 1.21 112.649 -178.825 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 605' ' ' GLY . . . . . . . . . . . . . . . -138.75 160.64 25.71 Favored Glycine 0 N--CA 1.44 -1.066 0 N-CA-C 110.637 -0.985 . . . . 1.23 110.637 -178.039 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 606' ' ' LYS . . . . . . . . . . . . . 62.7 pttt -94.78 178.66 5.51 Favored 'General case' 0 C--N 1.315 -0.927 0 N-CA-C 109.82 -0.437 . . . . 3.47 109.82 -179.241 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 607' ' ' ASN . . . . . . . . . . . . . 42.1 t30 -58.24 120.66 9.08 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.025 0.441 . . . . 1.33 110.327 174.689 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 608' ' ' VAL . . . . . 0.554 HG11 ' HB ' ' A' ' 547' ' ' VAL . 57.7 t -85.0 -19.91 8.56 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.587 0 CA-C-N 115.846 -0.615 . . . . 0.3 110.551 -176.69 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 609' ' ' ALA . . . . . . . . . . . . . . . -61.69 -31.66 71.81 Favored 'General case' 0 C--O 1.24 0.556 0 CA-C-O 121.455 0.645 . . . . 0.44 110.999 175.523 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 610' ' ' ALA . . . . . . . . . . . . . . . -63.63 -30.01 71.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.685 -0.688 . . . . 0.4 109.816 176.603 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 611' ' ' ILE . . . . . 0.449 ' CD1' HD12 ' A' ' 538' ' ' ILE . 77.5 mt -70.67 -30.69 43.34 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.349 0 CA-C-N 115.325 -0.852 . . . . 0.25 109.851 178.8 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 612' ' ' ILE . . . . . 0.477 ' CG1' HD13 ' A' ' 542' ' ' LEU . 76.0 mt -59.76 -42.71 89.7 Favored 'Isoleucine or valine' 0 C--O 1.235 0.323 0 N-CA-C 109.715 -0.476 . . . . 0.31 109.715 173.558 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 613' ' ' GLN . . . . . 0.475 ' HA ' ' OE1' ' A' ' 613' ' ' GLN . 15.1 mm-40 -65.4 -31.01 71.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.703 -0.681 . . . . 2.31 110.824 176.433 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 614' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -67.71 -43.96 78.82 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.185 -0.461 . . . . 1.95 110.759 177.441 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 615' ' ' ILE . . . . . 0.568 ' CD1' ' HB2' ' A' ' 542' ' ' LEU . 87.1 mt -60.36 -48.92 86.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-O 121.082 0.467 . . . . 0.35 110.683 179.474 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 616' ' ' HIS . . . . . . . . . . . . . 10.6 m-70 -66.24 -26.74 67.5 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.827 -0.624 . . . . 1.26 111.324 179.903 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 617' ' ' SER . . . . . . . . . . . . . 36.7 t -74.2 -36.4 63.98 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.942 0.401 . . . . 1.18 110.447 176.468 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 618' ' ' GLN . . . . . . . . . . . . . 33.2 mm-40 -82.12 -8.02 59.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.297 -0.41 . . . . 4.68 111.066 179.333 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 619' ' ' ARG . . . . . . . . . . . . . 59.2 mtp180 -120.6 -173.63 2.63 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.015 -0.539 . . . . 7.77 110.478 -179.601 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 620' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -133.72 170.49 15.48 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.877 -0.601 . . . . 7.92 109.854 176.788 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 621' ' ' ARG . . . . . . . . . . . . . 73.0 ttt180 . . . . . 0 C--O 1.247 0.966 0 CA-C-O 118.846 -0.597 . . . . 11.0 109.641 177.294 . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' B' B ' 1' ' ' ADN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' B' B ' 2' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.878 0 C4'-C3'-C2' 104.263 1.563 . 0.0 '__' . 2.99 . . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' B' B ' 3' ' ' ' C' . . . . . 0.446 " C5'" HE22 ' A' ' 558' ' ' GLN . . . . . . . . 0 O5'--C5' 1.425 -0.944 0 C3'-C2'-C1' 99.821 -1.865 . 0.0 OUTLIER gamma 1.58 . . . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 4' ' ' ' U' . . . . . 0.476 " H1'" ' C5 ' ' B' ' 5' ' ' ' U' . . . . . . . . 0 O5'--C5' 1.425 -0.913 0 C3'-C2'-C1' 99.804 -1.884 . 0.0 OUTLIER . 1.15 . . . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 5' ' ' ' U' . . . . . 0.614 ' C2 ' HG23 ' A' ' 551' ' ' ILE . . . . . . . . 0 O5'--C5' 1.425 -0.964 0 C3'-C2'-C1' 99.658 -2.047 . 0.538 4b . 1.33 . . . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 6' ' ' ' A' . . . . . 0.462 ' H2 ' " O5'" ' B' ' 5' ' ' ' U' . . . . . . . . 0 O5'--C5' 1.427 -0.831 0 C3'-C2'-C1' 100.773 -0.808 . 0.0 OUTLIER . 4.23 . . . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 510' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.723 0 N-CA-C 111.861 -0.496 . . . . 8.88 111.861 . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' A' A ' 511' ' ' ALA . . . . . . . . . . . . . . . 60.6 79.05 0.26 Allowed 'General case' 0 C--O 1.232 0.159 0 CA-C-O 121.065 0.46 . . . . 6.64 111.168 -179.829 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 512' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -74.43 -27.71 60.73 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.148 -0.478 . . . . 6.33 110.167 -179.023 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 513' ' ' ALA . . . . . . . . . . . . . . . -117.54 149.71 40.18 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.959 -0.564 . . . . 4.2 109.929 177.381 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 514' ' ' GLN . . . . . 0.42 HE22 ' HA ' ' A' ' 594' ' ' THR . 28.1 mm-40 69.16 112.3 0.05 OUTLIER 'General case' 0 C--N 1.331 -0.205 0 O-C-N 123.919 0.762 . . . . 2.88 111.913 -179.027 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 515' ' ' ARG . . . . . 0.422 ' HB2' ' HG3' ' A' ' 597' ' ' LYS . 20.7 mmm180 -77.68 98.17 5.37 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.506 -0.77 . . . . 4.0 109.597 176.66 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 516' ' ' LYS . . . . . . . . . . . . . 46.4 mmtm -134.23 47.74 2.39 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.159 0.504 . . . . 1.89 110.659 -179.103 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 517' ' ' GLY . . . . . . . . . . . . . . . -91.85 -106.81 1.55 Allowed Glycine 0 N--CA 1.45 -0.43 0 C-N-CA 120.978 -0.63 . . . . 2.04 111.74 176.632 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 518' ' ' ALA . . . . . . . . . . . . . . . -78.91 -24.17 44.28 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.723 0.773 . . . . 1.75 109.928 176.426 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 519' ' ' GLY . . . . . . . . . . . . . . . -107.09 116.94 5.15 Favored Glycine 0 N--CA 1.445 -0.724 0 CA-C-N 114.479 -1.237 . . . . 0.67 110.51 174.775 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 520' ' ' ARG . . . . . . . . . . . . . 37.8 mtm-85 -134.02 133.79 41.66 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 117.445 0.623 . . . . 2.22 111.068 -178.862 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 521' ' ' VAL . . . . . 0.725 HG13 HD21 ' A' ' 599' ' ' LEU . 89.3 t -117.58 123.31 71.57 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-N 115.632 -0.713 . . . . 0.32 110.876 170.983 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 522' ' ' VAL . . . . . 0.548 ' HB ' ' O ' ' A' ' 561' ' ' LEU . 22.4 t -120.07 122.49 68.57 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.747 0 N-CA-C 107.81 -1.182 . . . . 0.22 107.81 175.228 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 523' ' ' HIS . . . . . . . . . . . . . 43.2 t-80 -105.45 133.33 50.38 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.21 0.528 . . . . 0.44 111.119 -171.791 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 524' ' ' ILE . . . . . 0.489 HG23 HG12 ' A' ' 590' ' ' ILE . 29.9 mt -113.62 141.91 27.97 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.762 0 CA-C-N 115.376 -0.829 . . . . 0.19 108.812 177.735 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 525' ' ' CYS . . . . . 0.546 ' SG ' ' HB3' ' A' ' 589' ' ' LEU . 1.8 p -141.66 164.03 31.31 Favored 'General case' 0 C--N 1.316 -0.874 0 C-N-CA 120.618 -0.433 . . . . 1.17 111.652 -178.47 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 526' ' ' ASN . . . . . 0.445 ' HB2' ' O ' ' A' ' 525' ' ' CYS . 86.7 m-20 88.39 28.95 0.03 OUTLIER 'General case' 0 N--CA 1.471 0.594 0 O-C-N 125.045 1.466 . . . . 0.26 110.552 177.253 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 527' ' ' LEU . . . . . . . . . . . . . 78.7 mt -90.46 124.64 62.2 Favored Pre-proline 0 C--N 1.322 -0.6 0 N-CA-C 108.771 -0.826 . . . . 0.25 108.771 176.553 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 528' ' ' PRO . . . . . . . . . . . . . 5.6 Cg_exo -71.28 133.54 23.01 Favored 'Trans proline' 0 N--CA 1.455 -0.762 0 C-N-CA 121.298 1.332 . . . . 0.38 111.174 -177.267 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 529' ' ' GLU . . . . . . . . . . . . . 45.4 tt0 -66.31 129.74 40.85 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 109.814 -0.439 . . . . 1.6 109.814 177.39 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 530' ' ' GLY . . . . . . . . . . . . . . . 92.01 2.58 68.83 Favored Glycine 0 N--CA 1.447 -0.572 0 N-CA-C 110.397 -1.081 . . . . 0.48 110.397 -171.765 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 531' ' ' SER . . . . . . . . . . . . . 16.1 m -143.36 8.46 1.59 Allowed 'General case' 0 N--CA 1.45 -0.439 0 CA-C-N 115.16 -0.52 . . . . 1.08 109.914 -177.905 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 532' ' ' CYS . . . . . . . . . . . . . 60.8 m -89.79 91.18 8.52 Favored 'General case' 0 CA--C 1.516 -0.345 0 N-CA-C 108.963 -0.754 . . . . 0.25 108.963 179.786 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 533' ' ' THR . . . . . 0.482 ' O ' HG23 ' A' ' 537' ' ' VAL . 68.4 p -101.01 148.73 24.7 Favored 'General case' 0 C--N 1.318 -0.777 0 C-N-CA 120.369 -0.532 . . . . 0.35 110.063 -178.018 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 534' ' ' GLU . . . . . 0.449 ' HA ' HD11 ' A' ' 552' ' ' LEU . 44.9 mt-10 -68.65 -36.04 78.05 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.845 -0.616 . . . . 1.64 110.386 -178.008 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 535' ' ' ASN . . . . . 0.443 ' OD1' HG23 ' A' ' 611' ' ' ILE . 60.7 t30 -64.99 -49.24 71.04 Favored 'General case' 0 C--O 1.216 -0.706 0 CA-C-N 114.987 -1.006 . . . . 1.82 111.206 -174.877 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 536' ' ' ASP . . . . . 0.401 ' HA ' ' OD1' ' A' ' 539' ' ' ASN . 2.9 m-20 -71.23 -39.81 71.46 Favored 'General case' 0 N--CA 1.47 0.556 0 CA-C-O 121.198 0.523 . . . . 0.61 111.59 -170.414 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 537' ' ' VAL . . . . . 0.482 HG23 ' O ' ' A' ' 533' ' ' THR . 49.2 t -59.12 -48.09 87.94 Favored 'Isoleucine or valine' 0 C--O 1.241 0.634 0 CA-C-N 115.294 -0.866 . . . . 0.15 109.531 178.064 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 538' ' ' ILE . . . . . 0.687 HD11 ' CG ' ' A' ' 550' ' ' TYR . 23.7 mt -68.76 -32.86 56.62 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 CA-C-N 115.378 -0.828 . . . . 0.23 111.804 175.241 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 539' ' ' ASN . . . . . 0.47 ' HA ' HD11 ' A' ' 615' ' ' ILE . 13.1 m120 -57.63 -27.83 63.14 Favored 'General case' 0 N--CA 1.466 0.369 0 N-CA-C 110.314 -0.254 . . . . 0.25 110.314 177.794 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 540' ' ' LEU . . . . . 0.431 HD11 HD12 ' A' ' 588' ' ' LEU . 94.5 mt -76.65 -42.39 42.15 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 120.926 0.393 . . . . 0.27 110.012 173.679 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 541' ' ' GLY . . . . . 0.51 ' HA2' ' SD ' ' A' ' 572' ' ' MET . . . -64.94 -52.64 40.02 Favored Glycine 0 CA--C 1.522 0.502 0 N-CA-C 115.475 0.95 . . . . 0.19 115.475 -178.678 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 542' ' ' LEU . . . . . 0.49 ' HB2' ' CD1' ' A' ' 615' ' ' ILE . 35.7 mt -56.37 -44.65 99.82 Favored Pre-proline 0 CA--C 1.54 0.576 0 N-CA-C 114.796 1.406 . . . . 0.2 114.796 -169.392 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 543' ' ' PRO . . . . . . . . . . . . . 35.6 Cg_exo -61.38 -27.03 82.24 Favored 'Trans proline' 0 C--N 1.348 0.542 0 C-N-CA 122.041 1.827 . . . . 0.23 113.689 -177.641 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 544' ' ' PHE . . . . . 0.46 ' HB2' ' HE2' ' A' ' 572' ' ' MET . 97.0 m-85 -98.4 -8.94 26.0 Favored 'General case' 0 C--N 1.33 -0.254 0 O-C-N 122.21 -0.306 . . . . 0.33 111.193 178.769 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 545' ' ' GLY . . . . . 0.471 ' O ' ' HA ' ' A' ' 542' ' ' LEU . . . 168.79 152.12 7.55 Favored Glycine 0 N--CA 1.448 -0.527 0 C-N-CA 120.819 -0.705 . . . . 0.44 111.945 -178.064 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 546' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -66.35 130.87 44.67 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-O 121.156 0.503 . . . . 2.07 111.618 -177.778 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 547' ' ' VAL . . . . . 0.623 HG21 HG23 ' A' ' 538' ' ' ILE . 80.2 t -90.42 116.74 32.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 115.562 -0.745 . . . . 0.2 110.684 177.674 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 548' ' ' THR . . . . . . . . . . . . . 21.2 p -94.94 -35.29 12.06 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.098 -0.501 . . . . 0.31 111.923 177.392 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 549' ' ' ASN . . . . . 0.46 ' HB2' ' HB3' ' A' ' 562' ' ' GLU . 16.1 m120 -144.4 157.95 43.99 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.852 0.358 . . . . 1.26 110.965 -179.782 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 550' ' ' TYR . . . . . 0.687 ' CG ' HD11 ' A' ' 538' ' ' ILE . 3.3 p90 -162.04 152.7 17.46 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.864 -0.607 . . . . 0.31 109.707 -178.092 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 551' ' ' ILE . . . . . 0.614 HG23 ' C2 ' ' B' ' 5' ' ' ' U' . 64.8 mt -143.64 129.73 16.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 N-CA-C 108.621 -0.881 . . . . 0.22 108.621 -178.299 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 552' ' ' LEU . . . . . 0.449 HD11 ' HA ' ' A' ' 534' ' ' GLU . 22.9 mt -107.13 118.75 37.53 Favored 'General case' 0 C--N 1.315 -0.896 0 C-N-CA 120.475 -0.49 . . . . 0.43 110.317 179.904 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 553' ' ' MET . . . . . 0.548 ' HA ' " H4'" ' B' ' 5' ' ' ' U' . 63.8 mtm -108.87 82.29 1.58 Allowed 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 122.029 0.919 . . . . 1.03 109.193 -179.01 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 554' ' ' LYS . . . . . . . . . . . . . 12.0 mmtp -52.96 -27.84 20.86 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 113.828 -1.533 . . . . 1.03 112.622 176.375 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 555' ' ' SER . . . . . . . . . . . . . 63.9 p -69.21 -46.0 68.48 Favored 'General case' 0 N--CA 1.448 -0.554 0 CA-C-O 120.84 0.352 . . . . 0.51 111.259 -173.888 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 556' ' ' THR . . . . . . . . . . . . . 44.8 p -99.68 8.32 44.44 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 112.425 0.528 . . . . 0.45 112.425 -175.647 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 557' ' ' ASN . . . . . . . . . . . . . 4.7 m-20 59.8 39.91 20.12 Favored 'General case' 0 N--CA 1.468 0.44 0 CA-C-O 121.863 0.839 . . . . 1.28 110.11 -178.085 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 558' ' ' GLN . . . . . 0.446 HE22 " C5'" ' B' ' 3' ' ' ' C' . 27.1 mt-30 -142.02 168.05 20.67 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.024 -0.989 . . . . 0.84 110.363 -174.274 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 559' ' ' ALA . . . . . . . . . . . . . . . -157.65 165.99 34.02 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.151 0.5 . . . . 0.16 111.412 -179.376 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 560' ' ' PHE . . . . . 0.51 ' HB2' ' HB ' ' A' ' 551' ' ' ILE . 79.5 m-85 -119.56 149.47 41.87 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.825 -0.625 . . . . 0.35 110.663 177.955 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 561' ' ' LEU . . . . . 0.548 ' O ' ' HB ' ' A' ' 522' ' ' VAL . 54.1 tp -141.08 119.1 11.9 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.782 -0.645 . . . . 0.2 110.261 -179.759 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 562' ' ' GLU . . . . . 0.538 ' HB2' HD12 ' A' ' 599' ' ' LEU . 32.0 tt0 -100.38 123.33 44.46 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.474 0.654 . . . . 2.09 110.158 176.667 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 563' ' ' MET . . . . . 0.786 ' SD ' ' HA ' ' A' ' 569' ' ' ALA . 22.5 mtt -107.21 148.57 28.75 Favored 'General case' 0 C--N 1.315 -0.921 0 CA-C-N 114.84 -1.073 . . . . 0.39 108.775 -178.659 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 564' ' ' ALA . . . . . . . . . . . . . . . -59.99 -26.13 65.8 Favored 'General case' 0 N--CA 1.463 0.195 0 N-CA-C 112.966 0.728 . . . . 0.5 112.966 -168.307 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 565' ' ' TYR . . . . . . . . . . . . . 84.8 m-85 -143.19 160.92 39.55 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 110.401 -0.222 . . . . 1.15 110.401 179.19 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 566' ' ' THR . . . . . . . . . . . . . 7.4 t -68.11 -27.07 66.15 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.43 -0.35 . . . . 0.57 110.251 -179.465 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 567' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -59.38 -33.07 70.74 Favored 'General case' 0 C--N 1.334 -0.106 0 CA-C-N 115.846 -0.616 . . . . 0.89 110.825 178.07 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 568' ' ' ALA . . . . . 0.673 ' O ' ' HG3' ' A' ' 572' ' ' MET . . . -73.76 -41.7 62.1 Favored 'General case' 0 N--CA 1.449 -0.478 0 CA-C-N 115.893 -0.594 . . . . 0.26 109.788 179.963 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 569' ' ' ALA . . . . . 0.786 ' HA ' ' SD ' ' A' ' 563' ' ' MET . . . -63.53 -45.78 89.01 Favored 'General case' 0 CA--C 1.518 -0.286 0 CA-C-N 115.619 -0.719 . . . . 0.24 111.493 -176.299 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 570' ' ' GLN . . . . . . . . . . . . . 18.6 pt20 -68.34 -36.85 79.87 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.141 -0.481 . . . . 1.24 110.695 -178.276 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 571' ' ' ALA . . . . . . . . . . . . . . . -64.05 -43.2 96.26 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.24 -0.436 . . . . 0.31 111.15 -178.949 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 572' ' ' MET . . . . . 0.673 ' HG3' ' O ' ' A' ' 568' ' ' ALA . 23.5 mtt -70.39 -43.32 70.32 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.479 -0.328 . . . . 0.47 111.097 -179.493 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 573' ' ' VAL . . . . . 0.534 HG23 ' O ' ' A' ' 569' ' ' ALA . 77.8 t -60.05 -47.76 90.59 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.169 0 CA-C-O 120.846 0.355 . . . . 0.34 110.53 -179.341 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 574' ' ' GLN . . . . . . . . . . . . . 78.3 mm-40 -64.59 -35.55 81.37 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.267 -0.424 . . . . 2.09 110.715 179.31 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 575' ' ' TYR . . . . . . . . . . . . . 70.8 t80 -67.82 -52.02 41.83 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.192 -0.458 . . . . 0.48 110.794 -179.011 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 576' ' ' TYR . . . . . 0.607 ' CE1' ' HB2' ' A' ' 581' ' ' ALA . 57.7 m-85 -76.83 -14.22 59.92 Favored 'General case' 0 N--CA 1.466 0.342 0 N-CA-C 113.41 0.893 . . . . 0.36 113.41 -175.833 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 577' ' ' GLN . . . . . 0.444 ' HG3' ' O ' ' A' ' 573' ' ' VAL . 25.3 mt-30 -72.73 -38.12 67.54 Favored 'General case' 0 C--N 1.319 -0.726 0 C-N-CA 119.793 -0.763 . . . . 1.89 109.744 172.341 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 578' ' ' GLU . . . . . . . . . . . . . 11.3 mm-40 -86.71 -38.18 17.22 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.944 -0.571 . . . . 2.14 110.943 177.424 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 579' ' ' LYS . . . . . 0.525 ' O ' ' HA ' ' A' ' 576' ' ' TYR . 96.1 mttt -132.83 89.73 34.07 Favored Pre-proline 0 C--N 1.327 -0.377 0 N-CA-C 109.99 -0.374 . . . . 2.46 109.99 177.693 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 580' ' ' PRO . . . . . . . . . . . . . 37.6 Cg_endo -66.0 159.28 49.99 Favored 'Trans proline' 0 C--O 1.234 0.315 0 C-N-CA 122.507 2.138 . . . . 0.37 112.681 -176.601 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 581' ' ' ALA . . . . . 0.607 ' HB2' ' CE1' ' A' ' 576' ' ' TYR . . . -91.82 136.04 33.45 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.017 -0.538 . . . . 0.27 110.124 179.398 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 582' ' ' ILE . . . . . . . . . . . . . 54.2 mt -99.36 120.75 49.14 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.681 0 CA-C-O 120.835 0.35 . . . . 0.51 111.841 -175.258 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 583' ' ' ILE . . . . . 0.459 HG13 HD11 ' A' ' 588' ' ' LEU . 28.6 mm -125.15 111.26 27.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-N 116.02 -0.536 . . . . 0.51 109.931 171.429 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 584' ' ' ASN . . . . . . . . . . . . . 3.5 m-20 56.83 36.05 27.16 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.448 0.642 . . . . 1.1 110.889 176.076 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 585' ' ' GLY . . . . . . . . . . . . . . . 86.09 0.03 87.29 Favored Glycine 0 N--CA 1.448 -0.529 0 CA-C-N 115.231 -0.895 . . . . 0.44 113.589 179.989 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 586' ' ' GLU . . . . . . . . . . . . . 51.0 mm-40 -100.94 126.16 47.57 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 117.256 0.528 . . . . 1.79 110.984 179.926 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 587' ' ' LYS . . . . . . . . . . . . . 46.9 mmtm -77.32 111.21 12.74 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.578 -0.737 . . . . 1.67 110.719 175.115 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 588' ' ' LEU . . . . . 0.459 HD11 HG13 ' A' ' 583' ' ' ILE . 31.1 mt -75.71 141.54 42.65 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.154 0.502 . . . . 0.24 111.169 -178.261 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 589' ' ' LEU . . . . . 0.546 ' HB3' ' SG ' ' A' ' 525' ' ' CYS . 60.4 tp -112.4 111.55 22.48 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.413 -0.812 . . . . 0.38 110.009 176.049 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 590' ' ' ILE . . . . . 0.525 HD12 ' CD2' ' A' ' 576' ' ' TYR . 17.1 mt -103.28 118.98 51.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 N-CA-C 109.66 -0.496 . . . . 0.26 109.66 175.659 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 591' ' ' ARG . . . . . . . . . . . . . 50.9 mtp180 -144.23 165.99 26.31 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.424 -0.353 . . . . 2.62 110.543 -177.345 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 592' ' ' MET . . . . . . . . . . . . . 56.2 mtt -81.06 140.89 34.84 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.36 -0.382 . . . . 0.34 110.25 -179.28 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 593' ' ' SER . . . . . . . . . . . . . 40.5 t -84.58 132.77 34.47 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.517 0.675 . . . . 1.37 111.41 -176.018 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 594' ' ' THR . . . . . 0.42 ' HA ' HE22 ' A' ' 514' ' ' GLN . 19.5 p -90.88 -12.76 35.21 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-N 114.279 -1.328 . . . . 0.38 111.252 178.293 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 595' ' ' ARG . . . . . . . . . . . . . 60.2 mtp180 -101.22 -29.58 12.02 Favored 'General case' 0 C--N 1.332 -0.169 0 N-CA-C 112.839 0.681 . . . . 2.75 112.839 -170.662 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 596' ' ' TYR . . . . . 0.434 ' C ' ' HD2' ' A' ' 597' ' ' LYS . 70.0 m-85 -123.79 151.81 42.92 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.218 0.532 . . . . 0.65 112.248 -176.204 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 597' ' ' LYS . . . . . 0.579 ' N ' ' HD2' ' A' ' 597' ' ' LYS . 0.1 OUTLIER -109.26 -22.03 12.27 Favored 'General case' 0 C--O 1.223 -0.291 0 CA-C-N 115.137 -0.938 . . . . 2.18 111.679 -177.698 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 598' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -147.13 150.51 35.12 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.013 0.435 . . . . 0.95 111.195 179.749 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 599' ' ' LEU . . . . . 0.725 HD21 HG13 ' A' ' 521' ' ' VAL . 70.6 mt -104.23 127.41 51.85 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.52 -0.764 . . . . 0.45 111.436 177.674 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 600' ' ' GLN . . . . . 0.449 ' NE2' ' HD3' ' A' ' 602' ' ' LYS . 18.3 tt0 -113.76 133.53 55.32 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.119 -0.946 . . . . 1.52 110.143 179.123 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 601' ' ' LEU . . . . . 0.432 ' HG ' HD22 ' A' ' 549' ' ' ASN . 53.1 mt -88.46 96.23 10.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.095 0.474 . . . . 0.46 111.464 -178.951 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 602' ' ' LYS . . . . . 0.449 ' HD3' ' NE2' ' A' ' 600' ' ' GLN . 14.2 mmmm -80.93 -10.95 59.66 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.999 -0.546 . . . . 1.73 110.376 174.717 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 603' ' ' LYS . . . . . . . . . . . . . 30.5 mmtp -127.57 148.8 68.18 Favored Pre-proline 0 C--N 1.326 -0.455 0 CA-C-N 115.613 -0.721 . . . . 1.69 109.71 -179.203 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 604' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_endo -76.67 153.32 33.93 Favored 'Trans proline' 0 C--N 1.343 0.289 0 C-N-CA 122.804 2.336 . . . . 1.21 112.586 179.297 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 605' ' ' GLY . . . . . . . . . . . . . . . -135.58 -175.83 14.04 Favored Glycine 0 N--CA 1.444 -0.83 0 C-N-CA 121.37 -0.443 . . . . 1.23 112.233 -179.024 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 606' ' ' LYS . . . . . . . . . . . . . 39.9 mmtm -95.72 160.84 14.29 Favored 'General case' 0 C--N 1.316 -0.863 0 N-CA-C 109.397 -0.594 . . . . 3.47 109.397 179.6 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 607' ' ' ASN . . . . . . . . . . . . . 27.6 t30 -62.23 121.8 14.03 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.94 0.4 . . . . 1.33 110.707 174.485 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 608' ' ' VAL . . . . . 0.514 HG11 ' HB ' ' A' ' 547' ' ' VAL . 60.8 t -72.91 -22.91 20.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-N 115.815 -0.63 . . . . 0.3 111.079 -175.777 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 609' ' ' ALA . . . . . . . . . . . . . . . -65.9 -36.09 82.43 Favored 'General case' 0 C--O 1.239 0.545 0 CA-C-O 121.39 0.614 . . . . 0.44 110.466 176.031 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 610' ' ' ALA . . . . . . . . . . . . . . . -64.21 -29.68 70.77 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.7 -0.682 . . . . 0.4 109.926 176.258 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 611' ' ' ILE . . . . . 0.53 ' CD1' HD12 ' A' ' 538' ' ' ILE . 64.7 mt -69.22 -32.9 55.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-N 115.481 -0.781 . . . . 0.25 109.874 179.663 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 612' ' ' ILE . . . . . 0.46 HG12 HD13 ' A' ' 542' ' ' LEU . 61.9 mt -60.23 -42.19 89.5 Favored 'Isoleucine or valine' 0 C--O 1.232 0.179 0 CA-C-O 121.234 0.54 . . . . 0.31 109.6 173.528 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 613' ' ' GLN . . . . . . . . . . . . . 16.4 mt-30 -62.63 -38.65 91.05 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.577 -0.738 . . . . 2.31 109.857 177.629 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 614' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -65.37 -42.57 92.58 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 114.829 -1.078 . . . . 1.95 110.851 179.591 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 615' ' ' ILE . . . . . 0.49 ' CD1' ' HB2' ' A' ' 542' ' ' LEU . 82.7 mt -60.46 -41.6 88.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.462 -0.336 . . . . 0.35 110.829 178.492 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 616' ' ' HIS . . . . . . . . . . . . . 60.7 m-70 -65.33 -28.38 69.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.453 -0.339 . . . . 1.26 110.96 179.211 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 617' ' ' SER . . . . . . . . . . . . . 20.0 m -75.76 -37.51 59.2 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.084 0.468 . . . . 1.18 110.477 174.929 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 618' ' ' GLN . . . . . . . . . . . . . 37.2 mt-30 -76.36 -61.09 2.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.711 -0.677 . . . . 4.68 111.776 -177.044 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 619' ' ' ARG . . . . . . . . . . . . . 79.5 mtm180 67.6 116.38 0.03 OUTLIER 'General case' 0 C--O 1.235 0.33 0 C-N-CA 123.103 0.561 . . . . 7.77 111.216 -178.109 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 620' ' ' GLU . . . . . 0.414 ' HG2' ' N ' ' A' ' 621' ' ' ARG . 35.0 tt0 -60.36 157.45 13.76 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.891 -0.595 . . . . 7.92 110.947 179.967 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 621' ' ' ARG . . . . . 0.414 ' N ' ' HG2' ' A' ' 620' ' ' GLU . 99.3 mtt180 . . . . . 0 C--O 1.248 0.989 0 CA-C-O 118.512 -0.756 . . . . 11.0 110.858 178.914 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 1' ' ' ADN . . . . . 0.851 " H4'" " O5'" ' B' ' 2' ' ' ' U' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 2' ' ' ' U' . . . . . 0.851 " O5'" " H4'" ' B' ' 1' ' ' ADN . . . . . . . . 0 O5'--C5' 1.425 -0.929 0 C4'-C3'-O3' 113.932 1.282 OUTLIER-EPSILON 0.0 '__' . 2.99 . . . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 3' ' ' ' C' . . . . . 0.82 " H2'" ' HD2' ' A' ' 595' ' ' ARG . . . . . . . . 0 O5'--C5' 1.426 -0.899 0 P-O3'-C3' 122.861 2.634 . 0.0 OUTLIER epsilon-1 1.58 . . . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 4' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.933 0 C3'-C2'-C1' 100.103 -1.552 . 0.0 OUTLIER . 1.15 . . . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 5' ' ' ' U' . . . . . 0.689 " H4'" ' HA ' ' A' ' 553' ' ' MET . . . . . . . . 0 O5'--C5' 1.425 -0.943 0 O4'-C1'-N19 109.682 1.482 . 0.0 OUTLIER gamma 1.33 . . . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 6' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.908 0 C3'-C2'-C1' 100.65 -0.945 . 0.0 OUTLIER . 4.23 . . . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 510' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.89 0 N-CA-C 112.166 -0.374 . . . . 8.88 112.166 . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' A' A ' 511' ' ' ALA . . . . . . . . . . . . . . . 54.19 41.1 32.16 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-O 121.049 0.452 . . . . 6.64 111.325 179.562 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 512' ' ' MET . . . . . . . . . . . . . 49.2 tpp -69.0 -57.17 5.81 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.951 -0.568 . . . . 6.33 111.04 -178.148 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 513' ' ' ALA . . . . . 0.662 ' O ' ' HG2' ' A' ' 516' ' ' LYS . . . -126.38 61.34 1.3 Allowed 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.188 -0.46 . . . . 4.2 110.69 -178.259 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 514' ' ' GLN . . . . . . . . . . . . . 23.8 mt-30 63.19 -85.85 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.587 -0.733 . . . . 2.88 110.912 -177.418 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 515' ' ' ARG . . . . . . . . . . . . . 39.4 mmt180 -144.65 65.8 1.27 Allowed 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 110.268 -0.271 . . . . 4.0 110.268 178.899 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 516' ' ' LYS . . . . . 0.662 ' HG2' ' O ' ' A' ' 513' ' ' ALA . 67.3 mmtt -119.19 51.85 1.11 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.033 0.444 . . . . 1.89 110.183 178.564 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 517' ' ' GLY . . . . . . . . . . . . . . . -106.69 -95.35 2.4 Favored Glycine 0 N--CA 1.446 -0.642 0 C-N-CA 120.777 -0.725 . . . . 2.04 111.451 177.768 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 518' ' ' ALA . . . . . . . . . . . . . . . -84.47 74.64 10.35 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 109.28 -0.637 . . . . 1.75 109.28 174.899 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 519' ' ' GLY . . . . . . . . . . . . . . . 123.32 107.26 1.83 Allowed Glycine 0 N--CA 1.445 -0.762 0 N-CA-C 110.865 -0.894 . . . . 0.67 110.865 -172.763 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 520' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -126.3 132.65 51.6 Favored 'General case' 0 C--N 1.323 -0.55 0 C-N-CA 120.101 -0.64 . . . . 2.22 110.233 -179.962 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 521' ' ' VAL . . . . . 0.661 ' HB ' ' OG ' ' A' ' 593' ' ' SER . 57.4 t -117.53 124.32 72.9 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.01 0 CA-C-N 115.736 -0.666 . . . . 0.32 109.939 168.77 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 522' ' ' VAL . . . . . 0.437 HG11 ' CE ' ' A' ' 563' ' ' MET . 25.4 t -119.79 122.92 69.9 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.04 0 N-CA-C 106.922 -1.51 . . . . 0.22 106.922 174.302 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 523' ' ' HIS . . . . . . . . . . . . . 59.0 t-80 -103.85 133.4 48.89 Favored 'General case' 0 C--N 1.318 -0.787 0 O-C-N 121.722 -0.611 . . . . 0.44 110.417 -169.687 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 524' ' ' ILE . . . . . 0.509 HD11 HD22 ' A' ' 561' ' ' LEU . 29.5 mt -111.07 136.54 46.81 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.834 0 CA-C-N 115.297 -0.865 . . . . 0.19 109.101 -179.328 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 525' ' ' CYS . . . . . 0.436 ' O ' ' HB2' ' A' ' 526' ' ' ASN . 42.4 t -133.71 160.28 38.02 Favored 'General case' 0 C--N 1.315 -0.913 0 C-N-CA 121.13 -0.228 . . . . 1.17 110.797 -175.06 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 526' ' ' ASN . . . . . 0.48 ' HB2' ' HA ' ' A' ' 588' ' ' LEU . 77.2 m-20 86.9 28.83 0.04 OUTLIER 'General case' 0 N--CA 1.469 0.49 0 O-C-N 124.674 1.234 . . . . 0.26 110.674 173.506 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 527' ' ' LEU . . . . . 0.468 ' HB3' ' SG ' ' A' ' 532' ' ' CYS . 82.1 mt -84.98 124.85 71.91 Favored Pre-proline 0 C--N 1.325 -0.489 0 N-CA-C 109.296 -0.631 . . . . 0.25 109.296 178.118 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 528' ' ' PRO . . . . . 0.424 ' HD3' ' HA ' ' A' ' 527' ' ' LEU . 12.2 Cg_exo -68.8 134.57 30.43 Favored 'Trans proline' 0 N--CA 1.461 -0.407 0 C-N-CA 121.861 1.707 . . . . 0.38 111.786 -178.692 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 529' ' ' GLU . . . . . . . . . . . . . 28.1 tt0 -65.79 136.4 56.15 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 109.454 -0.573 . . . . 1.6 109.454 178.602 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 530' ' ' GLY . . . . . . . . . . . . . . . 86.83 4.39 82.43 Favored Glycine 0 N--CA 1.446 -0.635 0 C-N-CA 120.006 -1.093 . . . . 0.48 111.501 -175.441 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 531' ' ' SER . . . . . . . . . . . . . 63.1 m -150.08 14.29 0.8 Allowed 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.262 0.553 . . . . 1.08 110.265 -176.913 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 532' ' ' CYS . . . . . 0.554 ' HB2' ' HD2' ' A' ' 554' ' ' LYS . 76.3 m -89.7 84.22 6.29 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 108.964 -0.754 . . . . 0.25 108.964 177.631 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 533' ' ' THR . . . . . 0.623 ' O ' HG23 ' A' ' 537' ' ' VAL . 74.5 p -99.39 148.31 24.34 Favored 'General case' 0 N--CA 1.444 -0.732 0 C-N-CA 119.869 -0.732 . . . . 0.35 109.266 -178.618 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 534' ' ' GLU . . . . . 0.585 ' HA ' HD11 ' A' ' 552' ' ' LEU . 36.9 mt-10 -67.67 -34.76 77.57 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-O 121.642 0.734 . . . . 1.64 109.42 -179.553 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 535' ' ' ASN . . . . . . . . . . . . . 10.2 t30 -61.87 -48.54 80.04 Favored 'General case' 0 N--CA 1.443 -0.791 0 CA-C-N 114.205 -1.361 . . . . 1.82 110.981 -176.678 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 536' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -71.05 -40.88 71.4 Favored 'General case' 0 N--CA 1.473 0.676 0 CA-C-O 121.146 0.498 . . . . 0.61 111.29 -176.091 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 537' ' ' VAL . . . . . 0.623 HG23 ' O ' ' A' ' 533' ' ' THR . 48.2 t -59.52 -48.14 88.36 Favored 'Isoleucine or valine' 0 C--O 1.242 0.66 0 CA-C-O 122.118 0.961 . . . . 0.15 109.701 179.158 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 538' ' ' ILE . . . . . 0.731 HG23 HG21 ' A' ' 547' ' ' VAL . 40.5 mt -68.68 -32.59 55.63 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.719 0 CA-C-N 115.246 -0.888 . . . . 0.23 111.671 175.197 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 539' ' ' ASN . . . . . 0.454 ' HA ' HD11 ' A' ' 615' ' ' ILE . 11.3 m120 -57.49 -26.79 61.81 Favored 'General case' 0 N--CA 1.469 0.498 0 N-CA-C 110.077 -0.342 . . . . 0.25 110.077 176.113 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 540' ' ' LEU . . . . . 0.553 ' HB3' ' OH ' ' A' ' 576' ' ' TYR . 87.9 mt -75.97 -43.07 46.33 Favored 'General case' 0 N--CA 1.448 -0.549 0 N-CA-C 109.82 -0.437 . . . . 0.27 109.82 174.269 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 541' ' ' GLY . . . . . 0.478 ' HA2' ' SD ' ' A' ' 572' ' ' MET . . . -65.69 -51.48 46.74 Favored Glycine 0 CA--C 1.526 0.725 0 N-CA-C 115.322 0.889 . . . . 0.19 115.322 -179.119 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 542' ' ' LEU . . . . . 0.48 ' HA ' ' O ' ' A' ' 545' ' ' GLY . 56.3 mt -57.12 -46.5 99.85 Favored Pre-proline 0 C--N 1.322 -0.616 0 N-CA-C 114.906 1.447 . . . . 0.2 114.906 -168.286 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 543' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -58.92 -26.67 82.02 Favored 'Trans proline' 0 C--N 1.349 0.562 0 C-N-CA 122.042 1.828 . . . . 0.23 113.514 -176.792 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 544' ' ' PHE . . . . . 0.502 ' HB2' ' HE2' ' A' ' 572' ' ' MET . 76.7 m-85 -98.01 -16.35 19.68 Favored 'General case' 0 C--N 1.33 -0.27 0 C-N-CA 120.69 -0.404 . . . . 0.33 110.826 178.939 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 545' ' ' GLY . . . . . 0.48 ' O ' ' HA ' ' A' ' 542' ' ' LEU . . . 173.59 161.26 23.47 Favored Glycine 0 C--O 1.226 -0.344 0 C-N-CA 120.763 -0.732 . . . . 0.44 112.281 178.62 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 546' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -67.78 133.59 49.51 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.112 0.482 . . . . 2.07 111.325 -177.181 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 547' ' ' VAL . . . . . 0.731 HG21 HG23 ' A' ' 538' ' ' ILE . 73.0 t -87.95 116.09 29.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 CA-C-N 115.41 -0.814 . . . . 0.2 110.347 175.379 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 548' ' ' THR . . . . . . . . . . . . . 22.8 p -91.49 -35.5 14.28 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.327 -0.397 . . . . 0.31 111.632 179.23 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 549' ' ' ASN . . . . . . . . . . . . . 9.5 m120 -143.97 152.9 41.68 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.916 0.389 . . . . 1.26 111.16 178.419 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 550' ' ' TYR . . . . . 0.708 ' CG ' HD11 ' A' ' 538' ' ' ILE . 1.6 p90 -151.41 149.94 29.87 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.638 -0.71 . . . . 0.31 109.843 176.901 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 551' ' ' ILE . . . . . 0.491 ' HB ' ' HB2' ' A' ' 560' ' ' PHE . 52.6 mt -146.37 124.0 4.09 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.51 0 N-CA-C 107.977 -1.12 . . . . 0.22 107.977 -178.98 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 552' ' ' LEU . . . . . 0.585 HD11 ' HA ' ' A' ' 534' ' ' GLU . 34.9 mt -108.19 126.78 53.19 Favored 'General case' 0 C--N 1.31 -1.141 0 C-N-CA 119.472 -0.891 . . . . 0.43 110.479 -179.76 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 553' ' ' MET . . . . . 0.689 ' HA ' " H4'" ' B' ' 5' ' ' ' U' . 71.0 mtm -108.94 82.03 1.54 Allowed 'General case' 0 C--N 1.32 -0.708 0 N-CA-C 108.211 -1.033 . . . . 1.03 108.211 176.924 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 554' ' ' LYS . . . . . 0.554 ' HD2' ' HB2' ' A' ' 532' ' ' CYS . 15.2 mmtm -53.32 -29.63 34.77 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 114.623 -1.171 . . . . 1.03 112.682 177.802 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 555' ' ' SER . . . . . . . . . . . . . 62.6 p -69.99 -42.19 73.41 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 120.678 0.275 . . . . 0.51 111.619 -175.029 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 556' ' ' THR . . . . . . . . . . . . . 43.4 p -98.38 4.8 48.54 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 112.199 0.444 . . . . 0.45 112.199 -175.517 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 557' ' ' ASN . . . . . . . . . . . . . 20.3 m120 59.55 39.28 21.75 Favored 'General case' 0 C--O 1.238 0.462 0 CA-C-O 121.314 0.578 . . . . 1.28 110.581 -177.718 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 558' ' ' GLN . . . . . . . . . . . . . 80.3 mt-30 -140.08 166.29 25.06 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.573 -0.74 . . . . 0.84 110.247 -176.147 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 559' ' ' ALA . . . . . 0.402 ' HB1' HD23 ' A' ' 552' ' ' LEU . . . -157.31 165.41 35.91 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 121.421 0.629 . . . . 0.16 112.303 -179.102 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 560' ' ' PHE . . . . . 0.491 ' HB2' ' HB ' ' A' ' 551' ' ' ILE . 95.4 m-85 -120.28 141.29 50.12 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.021 -0.99 . . . . 0.35 110.052 178.527 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 561' ' ' LEU . . . . . 0.509 HD22 HD11 ' A' ' 524' ' ' ILE . 64.4 tp -138.34 119.65 14.73 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.911 -0.586 . . . . 0.2 110.033 -179.706 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 562' ' ' GLU . . . . . 0.424 ' HB2' HD12 ' A' ' 599' ' ' LEU . 43.6 tt0 -100.46 130.86 46.6 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 121.603 0.716 . . . . 2.09 110.596 173.986 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 563' ' ' MET . . . . . 0.752 ' SD ' ' HA ' ' A' ' 569' ' ' ALA . 30.7 mtt -110.94 144.94 39.22 Favored 'General case' 0 C--N 1.314 -0.961 0 CA-C-N 114.419 -1.264 . . . . 0.39 108.452 -179.584 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 564' ' ' ALA . . . . . . . . . . . . . . . -58.8 -28.66 66.2 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 112.97 0.73 . . . . 0.5 112.97 -166.492 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 565' ' ' TYR . . . . . 0.413 ' CB ' ' HG2' ' A' ' 567' ' ' GLU . 91.9 m-85 -138.84 161.74 36.51 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.811 0.339 . . . . 1.15 110.388 179.685 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 566' ' ' THR . . . . . 0.615 ' HB ' ' O ' ' A' ' 516' ' ' LYS . 10.1 t -67.43 -28.23 67.72 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.035 -0.53 . . . . 0.57 110.248 179.096 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 567' ' ' GLU . . . . . 0.472 ' HA ' ' OE1' ' A' ' 570' ' ' GLN . 8.2 pt-20 -58.64 -33.22 69.82 Favored 'General case' 0 C--O 1.231 0.088 0 CA-C-N 115.783 -0.644 . . . . 0.89 111.039 177.542 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 568' ' ' ALA . . . . . 0.656 ' O ' ' HG3' ' A' ' 572' ' ' MET . . . -74.21 -43.64 56.35 Favored 'General case' 0 N--CA 1.449 -0.511 0 CA-C-N 116.08 -0.509 . . . . 0.26 110.013 -178.665 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 569' ' ' ALA . . . . . 0.752 ' HA ' ' SD ' ' A' ' 563' ' ' MET . . . -63.26 -45.28 92.25 Favored 'General case' 0 N--CA 1.454 -0.234 0 CA-C-N 115.759 -0.655 . . . . 0.24 111.324 -176.224 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 570' ' ' GLN . . . . . 0.472 ' OE1' ' HA ' ' A' ' 567' ' ' GLU . 4.9 pt20 -67.32 -36.09 80.76 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.066 -0.515 . . . . 1.24 110.882 -179.052 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 571' ' ' ALA . . . . . . . . . . . . . . . -66.68 -45.56 78.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.393 -0.367 . . . . 0.31 111.222 -178.952 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 572' ' ' MET . . . . . 0.656 ' HG3' ' O ' ' A' ' 568' ' ' ALA . 20.9 mtt -68.53 -43.53 76.52 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.514 -0.312 . . . . 0.47 111.034 -176.621 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 573' ' ' VAL . . . . . 0.692 ' O ' ' HG2' ' A' ' 577' ' ' GLN . 70.4 t -59.08 -46.66 91.73 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.152 0 N-CA-C 110.261 -0.274 . . . . 0.34 110.261 179.342 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 574' ' ' GLN . . . . . . . . . . . . . 15.6 mm100 -61.56 -36.85 81.81 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.004 -0.544 . . . . 2.09 111.008 178.361 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 575' ' ' TYR . . . . . 0.487 ' CE2' ' HE3' ' A' ' 579' ' ' LYS . 70.6 t80 -64.6 -51.97 59.95 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.879 -0.6 . . . . 0.48 110.649 -179.326 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 576' ' ' TYR . . . . . 0.729 ' CE2' HD12 ' A' ' 590' ' ' ILE . 68.1 m-85 -72.64 -14.13 61.52 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 112.751 0.648 . . . . 0.36 112.751 -176.771 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 577' ' ' GLN . . . . . 0.692 ' HG2' ' O ' ' A' ' 573' ' ' VAL . 84.4 mm-40 -67.89 -42.43 81.23 Favored 'General case' 0 C--N 1.326 -0.425 0 C-N-CA 120.469 -0.492 . . . . 1.89 109.908 173.066 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 578' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -90.47 -38.65 13.11 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.153 -0.476 . . . . 2.14 111.505 178.907 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 579' ' ' LYS . . . . . 0.523 ' O ' ' HA ' ' A' ' 576' ' ' TYR . 52.2 mtmt -132.21 93.98 24.77 Favored Pre-proline 0 C--N 1.327 -0.403 0 N-CA-C 110.043 -0.355 . . . . 2.46 110.043 176.762 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 580' ' ' PRO . . . . . . . . . . . . . 57.3 Cg_endo -71.4 161.13 46.56 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.857 2.371 . . . . 0.37 112.242 -178.937 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 581' ' ' ALA . . . . . 0.603 ' HB2' ' CE1' ' A' ' 576' ' ' TYR . . . -90.53 128.94 36.71 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 109.722 -0.473 . . . . 0.27 109.722 178.872 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 582' ' ' ILE . . . . . . . . . . . . . 53.5 mt -103.08 119.58 51.71 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.8 0 CA-C-O 121.018 0.437 . . . . 0.51 111.094 -175.341 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 583' ' ' ILE . . . . . 0.419 HG13 HD11 ' A' ' 588' ' ' LEU . 32.0 mm -124.38 117.8 51.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 N-CA-C 109.27 -0.641 . . . . 0.51 109.27 176.669 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 584' ' ' ASN . . . . . . . . . . . . . 3.5 m-20 59.97 33.42 21.42 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-O 121.326 0.584 . . . . 1.1 110.278 -179.469 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 585' ' ' GLY . . . . . . . . . . . . . . . 79.17 3.88 88.61 Favored Glycine 0 N--CA 1.447 -0.598 0 CA-C-N 115.511 -0.768 . . . . 0.44 113.161 179.288 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 586' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -109.8 127.56 54.74 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.066 0.46 . . . . 1.79 110.806 -179.855 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 587' ' ' LYS . . . . . . . . . . . . . 53.4 mttp -75.72 124.89 28.02 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.519 -0.764 . . . . 1.67 111.412 -178.432 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 588' ' ' LEU . . . . . 0.511 HD12 HD11 ' A' ' 540' ' ' LEU . 60.0 mt -83.21 140.46 32.54 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.83 -0.623 . . . . 0.24 110.978 179.702 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 589' ' ' LEU . . . . . . . . . . . . . 55.9 tp -112.41 111.16 21.8 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.814 -0.63 . . . . 0.38 109.991 179.005 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 590' ' ' ILE . . . . . 0.729 HD12 ' CE2' ' A' ' 576' ' ' TYR . 16.3 mt -102.51 128.23 55.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-O 120.75 0.309 . . . . 0.26 110.24 176.657 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 591' ' ' ARG . . . . . . . . . . . . . 19.7 mtp180 -145.84 164.14 32.85 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.94 -0.573 . . . . 2.62 109.939 -176.055 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 592' ' ' MET . . . . . 0.442 ' SD ' ' HB1' ' A' ' 513' ' ' ALA . 60.8 mtt -82.28 148.77 28.17 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 120.949 0.404 . . . . 0.34 110.586 179.481 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 593' ' ' SER . . . . . 0.661 ' OG ' ' HB ' ' A' ' 521' ' ' VAL . 76.1 p -82.66 132.62 35.18 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.964 -0.562 . . . . 1.37 111.359 -175.016 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 594' ' ' THR . . . . . . . . . . . . . 18.9 p -90.99 -21.97 21.03 Favored 'General case' 0 C--N 1.315 -0.9 0 CA-C-N 115.548 -0.751 . . . . 0.38 111.46 176.194 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 595' ' ' ARG . . . . . 0.82 ' HD2' " H2'" ' B' ' 3' ' ' ' C' . 94.1 mtt180 -103.99 -31.32 9.78 Favored 'General case' 0 CA--C 1.534 0.331 0 N-CA-C 113.525 0.935 . . . . 2.75 113.525 -167.718 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 596' ' ' TYR . . . . . . . . . . . . . 67.6 m-85 -124.41 142.47 51.28 Favored 'General case' 0 N--CA 1.467 0.384 0 O-C-N 121.997 -0.439 . . . . 0.65 111.827 -176.774 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 597' ' ' LYS . . . . . 0.449 ' N ' ' HD2' ' A' ' 597' ' ' LYS . 8.5 mptt -109.15 -7.43 15.31 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.817 -0.628 . . . . 2.18 112.37 179.738 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 598' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -143.8 150.51 38.64 Favored 'General case' 0 C--N 1.328 -0.368 0 C-N-CA 120.414 -0.514 . . . . 0.95 110.735 -178.19 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 599' ' ' LEU . . . . . 0.554 HD21 HG13 ' A' ' 521' ' ' VAL . 33.5 mt -108.11 121.49 44.94 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.557 -0.747 . . . . 0.45 111.172 176.649 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 600' ' ' GLN . . . . . . . . . . . . . 28.6 tt0 -106.51 126.9 52.84 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.21 -0.905 . . . . 1.52 109.746 178.714 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 601' ' ' LEU . . . . . . . . . . . . . 94.1 mt -91.23 89.12 7.18 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.149 0.5 . . . . 0.46 111.226 -176.019 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 602' ' ' LYS . . . . . . . . . . . . . 45.2 mtpt -79.04 -19.01 52.5 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.256 0.551 . . . . 1.73 110.088 177.176 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 603' ' ' LYS . . . . . . . . . . . . . 34.3 mmtp -115.87 152.52 47.59 Favored Pre-proline 0 C--N 1.324 -0.535 0 CA-C-N 115.733 -0.667 . . . . 1.69 109.983 179.629 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 604' ' ' PRO . . . . . . . . . . . . . 11.4 Cg_endo -55.41 131.83 48.55 Favored 'Trans proline' 0 C--N 1.344 0.318 0 C-N-CA 122.881 2.388 . . . . 1.21 112.224 178.883 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 605' ' ' GLY . . . . . . . . . . . . . . . 173.78 75.91 0.05 OUTLIER Glycine 0 N--CA 1.445 -0.723 0 N-CA-C 111.31 -0.716 . . . . 1.23 111.31 -177.899 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 606' ' ' LYS . . . . . . . . . . . . . 58.4 pttt -117.09 -30.72 5.58 Favored 'General case' 0 C--N 1.324 -0.508 0 C-N-CA 120.847 -0.341 . . . . 3.47 111.845 -174.791 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 607' ' ' ASN . . . . . . . . . . . . . 40.2 t-20 -80.75 119.19 23.02 Favored 'General case' 0 C--N 1.329 -0.309 0 C-N-CA 119.456 -0.898 . . . . 1.33 109.957 -178.818 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 608' ' ' VAL . . . . . 0.555 HG11 ' HB ' ' A' ' 547' ' ' VAL . 97.9 t -127.03 -5.44 4.58 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.815 0 CA-C-O 121.962 0.887 . . . . 0.3 108.834 174.781 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 609' ' ' ALA . . . . . . . . . . . . . . . -70.04 -44.12 69.86 Favored 'General case' 0 C--O 1.236 0.358 0 CA-C-N 115.089 -0.96 . . . . 0.44 110.446 178.106 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 610' ' ' ALA . . . . . . . . . . . . . . . -61.11 -29.7 69.92 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.166 -0.925 . . . . 0.4 110.55 -179.317 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 611' ' ' ILE . . . . . 0.574 ' CD1' HD12 ' A' ' 538' ' ' ILE . 72.4 mt -71.41 -34.29 52.94 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.501 0 CA-C-N 115.576 -0.738 . . . . 0.25 109.927 -178.624 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 612' ' ' ILE . . . . . 0.442 HG12 HD13 ' A' ' 542' ' ' LEU . 65.7 mt -60.68 -43.21 94.46 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.174 0 N-CA-C 109.725 -0.472 . . . . 0.31 109.725 174.055 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 613' ' ' GLN . . . . . . . . . . . . . 24.8 mm-40 -66.48 -35.26 79.82 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.837 -0.62 . . . . 2.31 109.8 179.917 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 614' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -65.98 -40.22 91.01 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 114.978 -1.01 . . . . 1.95 110.475 -179.872 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 615' ' ' ILE . . . . . 0.469 HG13 ' O ' ' A' ' 611' ' ' ILE . 87.4 mt -59.64 -42.2 87.63 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.227 0 CA-C-N 116.4 -0.364 . . . . 0.35 110.425 176.652 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 616' ' ' HIS . . . . . . . . . . . . . 81.7 m-70 -65.88 -26.68 67.74 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.408 -0.36 . . . . 1.26 110.914 178.562 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 617' ' ' SER . . . . . . . . . . . . . 15.2 m -74.72 -29.47 61.19 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.92 0.39 . . . . 1.18 110.738 176.013 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 618' ' ' GLN . . . . . . . . . . . . . 31.2 mm-40 -92.24 -67.93 0.83 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.136 -0.484 . . . . 4.68 111.328 -177.759 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 619' ' ' ARG . . . . . . . . . . . . . 29.6 mtm-85 60.36 80.3 0.21 Allowed 'General case' 0 C--O 1.234 0.256 0 CA-C-N 115.722 -0.672 . . . . 7.77 111.172 -178.13 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 620' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -72.95 88.64 1.37 Allowed 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.069 0.461 . . . . 7.92 110.234 177.56 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 621' ' ' ARG . . . . . . . . . . . . . 29.3 mmm180 . . . . . 0 C--O 1.244 0.771 0 CA-C-O 118.523 -0.751 . . . . 11.0 109.503 177.828 . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' B' B ' 1' ' ' ADN . . . . . 0.451 " H2'" ' C6 ' ' B' ' 2' ' ' ' U' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 2' ' ' ' U' . . . . . 0.451 ' C6 ' " H2'" ' B' ' 1' ' ' ADN . . . . . . . . 0 O5'--C5' 1.426 -0.844 0 C3'-C2'-C1' 99.634 -2.074 . 0.0 '__' . 2.99 . . . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 3' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.939 0 C4'-C3'-C2' 104.09 1.39 . 0.0 OUTLIER . 1.58 . . . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 4' ' ' ' U' . . . . . 0.424 " H1'" ' C5 ' ' B' ' 5' ' ' ' U' . . . . . . . . 0 O5'--C5' 1.427 -0.837 0 C4'-C3'-C2' 103.881 1.181 . 0.0 OUTLIER gamma 1.15 . . . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 5' ' ' ' U' . . . . . 0.596 ' C2 ' HG23 ' A' ' 551' ' ' ILE . . . . . . . . 0 O5'--C5' 1.423 -1.044 0 C3'-C2'-C1' 99.245 -2.506 . 0.459 4b . 1.33 . . . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 6' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.928 0 C3'-C2'-C1' 100.567 -1.036 . 0.0 OUTLIER gamma 4.23 . . . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 510' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.776 0 N-CA-C 111.94 -0.464 . . . . 8.88 111.94 . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' A' A ' 511' ' ' ALA . . . . . . . . . . . . . . . -132.42 48.42 2.42 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.161 0.505 . . . . 6.64 110.401 179.481 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 512' ' ' MET . . . . . . . . . . . . . 44.1 tpp -92.09 -27.49 17.73 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.01 -0.541 . . . . 6.33 110.87 -178.77 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 513' ' ' ALA . . . . . . . . . . . . . . . -101.08 46.42 0.94 Allowed 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.052 0.453 . . . . 4.2 111.123 -177.191 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 514' ' ' GLN . . . . . 0.459 ' HB3' ' HD3' ' A' ' 516' ' ' LYS . 12.1 mm100 -75.36 113.72 13.06 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.269 -0.423 . . . . 2.88 110.422 -179.877 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 515' ' ' ARG . . . . . . . . . . . . . 85.4 mtt180 -82.18 90.71 6.61 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.844 -0.617 . . . . 4.0 110.197 -179.325 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 516' ' ' LYS . . . . . 0.469 ' HE2' ' SD ' ' A' ' 592' ' ' MET . 25.8 mmmt -96.03 9.19 41.61 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.978 -0.555 . . . . 1.89 110.214 -176.644 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 517' ' ' GLY . . . . . . . . . . . . . . . -90.5 127.0 8.6 Favored Glycine 0 N--CA 1.447 -0.605 0 C-N-CA 120.794 -0.717 . . . . 2.04 111.915 179.894 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 518' ' ' ALA . . . . . . . . . . . . . . . 56.21 42.55 27.93 Favored 'General case' 0 C--O 1.23 0.077 0 CA-C-O 121.309 0.576 . . . . 1.75 110.325 -177.695 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 519' ' ' GLY . . . . . . . . . . . . . . . 158.47 114.63 0.4 Allowed Glycine 0 N--CA 1.444 -0.778 0 CA-C-N 115.316 -0.856 . . . . 0.67 111.064 -176.916 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 520' ' ' ARG . . . . . . . . . . . . . 49.0 mtm-85 -133.76 134.82 43.4 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.31 0.576 . . . . 2.22 111.031 179.078 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 521' ' ' VAL . . . . . 0.652 HG13 HD21 ' A' ' 599' ' ' LEU . 91.4 t -115.65 122.7 69.98 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.872 0 CA-C-N 115.145 -0.934 . . . . 0.32 110.349 170.465 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 522' ' ' VAL . . . . . 0.535 ' HB ' ' O ' ' A' ' 561' ' ' LEU . 22.3 t -120.66 121.2 64.74 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.732 0 N-CA-C 107.672 -1.233 . . . . 0.22 107.672 174.113 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 523' ' ' HIS . . . . . . . . . . . . . 40.7 t-80 -106.31 130.13 54.2 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-O 121.058 0.456 . . . . 0.44 110.12 -173.765 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 524' ' ' ILE . . . . . 0.496 HD11 HD22 ' A' ' 561' ' ' LEU . 31.5 mt -111.17 136.04 48.47 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.999 0 N-CA-C 108.717 -0.845 . . . . 0.19 108.717 178.621 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 525' ' ' CYS . . . . . 0.507 ' O ' ' HB2' ' A' ' 526' ' ' ASN . 1.8 p -139.03 166.61 24.06 Favored 'General case' 0 C--N 1.311 -1.092 0 C-N-CA 120.684 -0.406 . . . . 1.17 111.3 -173.764 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 526' ' ' ASN . . . . . 0.507 ' HB2' ' O ' ' A' ' 525' ' ' CYS . 95.5 m-20 87.39 28.25 0.03 OUTLIER 'General case' 0 N--CA 1.468 0.462 0 O-C-N 124.983 1.427 . . . . 0.26 110.291 178.041 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 527' ' ' LEU . . . . . 0.431 ' HA ' ' HD3' ' A' ' 528' ' ' PRO . 81.3 mt -87.49 125.58 64.96 Favored Pre-proline 0 N--CA 1.449 -0.524 0 CA-C-N 115.207 -0.906 . . . . 0.25 108.86 177.036 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 528' ' ' PRO . . . . . 0.431 ' HD3' ' HA ' ' A' ' 527' ' ' LEU . 6.9 Cg_exo -70.56 134.6 26.64 Favored 'Trans proline' 0 N--CA 1.46 -0.499 0 C-N-CA 121.727 1.618 . . . . 0.38 111.566 -178.873 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 529' ' ' GLU . . . . . 0.409 ' HB2' ' ND2' ' A' ' 557' ' ' ASN . 52.9 tt0 -66.06 133.82 51.56 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.155 -0.475 . . . . 1.6 109.721 178.782 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 530' ' ' GLY . . . . . . . . . . . . . . . 87.64 3.55 80.73 Favored Glycine 0 N--CA 1.446 -0.639 0 C-N-CA 120.305 -0.95 . . . . 0.48 111.13 -173.382 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 531' ' ' SER . . . . . . . . . . . . . 57.3 m -149.05 17.86 0.97 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.005 0.431 . . . . 1.08 110.73 -177.167 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 532' ' ' CYS . . . . . 0.414 ' HB2' ' HD2' ' A' ' 554' ' ' LYS . 57.3 m -92.02 95.2 9.65 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 108.921 -0.77 . . . . 0.25 108.921 177.0 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 533' ' ' THR . . . . . 0.563 ' O ' HG23 ' A' ' 537' ' ' VAL . 81.1 p -106.92 150.2 26.68 Favored 'General case' 0 C--N 1.322 -0.609 0 C-N-CA 120.372 -0.531 . . . . 0.35 110.114 -177.737 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 534' ' ' GLU . . . . . 0.569 ' N ' HD11 ' A' ' 552' ' ' LEU . 37.2 mt-10 -67.48 -35.84 79.94 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.354 0.597 . . . . 1.64 110.065 -178.93 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 535' ' ' ASN . . . . . . . . . . . . . 54.9 t30 -63.21 -48.55 77.83 Favored 'General case' 0 C--O 1.215 -0.754 0 CA-C-N 114.847 -1.069 . . . . 1.82 111.232 -173.737 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 536' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -70.66 -40.9 72.73 Favored 'General case' 0 N--CA 1.469 0.478 0 CA-C-O 121.207 0.527 . . . . 0.61 111.438 -173.701 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 537' ' ' VAL . . . . . 0.563 HG23 ' O ' ' A' ' 533' ' ' THR . 38.3 t -59.77 -47.92 89.53 Favored 'Isoleucine or valine' 0 C--O 1.241 0.656 0 CA-C-O 122.149 0.976 . . . . 0.15 109.575 179.2 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 538' ' ' ILE . . . . . 0.617 HD11 ' CG ' ' A' ' 550' ' ' TYR . 66.6 mt -68.43 -33.28 59.36 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.728 0 CA-C-N 114.936 -1.029 . . . . 0.23 111.364 175.799 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 539' ' ' ASN . . . . . 0.535 ' HA ' HD11 ' A' ' 615' ' ' ILE . 11.1 m120 -57.35 -27.73 62.52 Favored 'General case' 0 CA--C 1.51 -0.56 0 N-CA-C 110.08 -0.341 . . . . 0.25 110.08 177.108 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 540' ' ' LEU . . . . . 0.66 HD11 HD12 ' A' ' 588' ' ' LEU . 40.5 mt -76.62 -41.42 46.05 Favored 'General case' 0 C--N 1.321 -0.638 0 C-N-CA 120.704 -0.398 . . . . 0.27 110.37 174.433 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 541' ' ' GLY . . . . . 0.496 ' HA3' HD21 ' A' ' 561' ' ' LEU . . . -64.57 -51.2 54.21 Favored Glycine 0 CA--C 1.527 0.801 0 N-CA-C 115.814 1.086 . . . . 0.19 115.814 -179.753 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 542' ' ' LEU . . . . . 0.508 HD13 ' CG1' ' A' ' 612' ' ' ILE . 54.7 mt -62.08 -42.73 83.33 Favored Pre-proline 0 C--N 1.319 -0.749 0 N-CA-C 115.448 1.647 . . . . 0.2 115.448 -168.326 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 543' ' ' PRO . . . . . 0.4 ' HG3' HG21 ' A' ' 615' ' ' ILE . 50.7 Cg_exo -60.18 -26.73 83.3 Favored 'Trans proline' 0 CA--C 1.531 0.329 0 C-N-CA 121.547 1.498 . . . . 0.23 113.362 -178.12 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 544' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -102.47 -15.09 16.58 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 112.148 0.425 . . . . 0.33 112.148 -179.555 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 545' ' ' GLY . . . . . 0.442 ' O ' ' HA ' ' A' ' 542' ' ' LEU . . . -171.59 -175.53 39.99 Favored Glycine 0 C--O 1.224 -0.476 0 C-N-CA 120.089 -1.053 . . . . 0.44 112.599 -177.074 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 546' ' ' LYS . . . . . . . . . . . . . 25.1 ttmm -94.99 122.74 37.95 Favored 'General case' 0 C--N 1.318 -0.775 0 N-CA-C 109.854 -0.425 . . . . 2.07 109.854 -178.152 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 547' ' ' VAL . . . . . 0.589 ' HB ' HG11 ' A' ' 608' ' ' VAL . 83.1 t -88.96 113.46 25.62 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.63 0 CA-C-O 121.316 0.579 . . . . 0.2 110.271 175.289 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 548' ' ' THR . . . . . . . . . . . . . 21.4 p -98.35 -34.97 10.46 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-N 115.536 -0.756 . . . . 0.31 111.544 177.975 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 549' ' ' ASN . . . . . 0.458 ' HB2' ' HB3' ' A' ' 562' ' ' GLU . 7.0 m-20 -140.5 150.59 43.94 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.011 -0.541 . . . . 1.26 110.324 -178.657 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 550' ' ' TYR . . . . . 0.617 ' CG ' HD11 ' A' ' 538' ' ' ILE . 1.2 p90 -151.82 150.78 30.51 Favored 'General case' 0 C--N 1.317 -0.827 0 CA-C-N 115.449 -0.796 . . . . 0.31 109.008 179.348 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 551' ' ' ILE . . . . . 0.596 HG23 ' C2 ' ' B' ' 5' ' ' ' U' . 47.8 mt -144.4 123.38 6.8 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 N-CA-C 108.246 -1.02 . . . . 0.22 108.246 -176.529 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 552' ' ' LEU . . . . . 0.569 HD11 ' N ' ' A' ' 534' ' ' GLU . 23.8 mt -107.56 122.28 46.35 Favored 'General case' 0 C--N 1.317 -0.846 0 C-N-CA 120.117 -0.633 . . . . 0.43 109.954 -179.475 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 553' ' ' MET . . . . . 0.541 ' HA ' " H4'" ' B' ' 5' ' ' ' U' . 53.6 mtm -109.0 82.49 1.6 Allowed 'General case' 0 C--N 1.316 -0.867 0 N-CA-C 108.592 -0.892 . . . . 1.03 108.592 179.529 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 554' ' ' LYS . . . . . 0.414 ' HD2' ' HB2' ' A' ' 532' ' ' CYS . 24.7 mmtp -54.08 -29.96 46.48 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 114.483 -1.235 . . . . 1.03 112.643 178.212 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 555' ' ' SER . . . . . . . . . . . . . 61.2 p -69.99 -41.39 74.46 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 120.808 0.337 . . . . 0.51 111.031 -174.925 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 556' ' ' THR . . . . . . . . . . . . . 71.6 p -98.08 3.85 49.23 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 112.304 0.483 . . . . 0.45 112.304 -177.3 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 557' ' ' ASN . . . . . 0.505 ' N ' HD22 ' A' ' 557' ' ' ASN . 0.8 OUTLIER 58.74 38.72 24.83 Favored 'General case' 0 N--CA 1.47 0.57 0 CA-C-O 121.563 0.697 . . . . 1.28 110.367 -178.868 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 558' ' ' GLN . . . . . . . . . . . . . 42.6 mt-30 -142.04 168.05 20.68 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.303 -0.862 . . . . 0.84 110.154 -176.682 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 559' ' ' ALA . . . . . 0.426 ' HB1' HD23 ' A' ' 552' ' ' LEU . . . -156.94 165.1 37.12 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.118 0.485 . . . . 0.16 111.686 -176.932 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 560' ' ' PHE . . . . . 0.437 ' HB2' ' HB ' ' A' ' 551' ' ' ILE . 85.1 m-85 -120.98 149.91 41.94 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.875 -0.602 . . . . 0.35 111.337 176.737 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 561' ' ' LEU . . . . . 0.535 ' O ' ' HB ' ' A' ' 522' ' ' VAL . 51.4 tp -137.22 120.44 16.79 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.289 -0.869 . . . . 0.2 109.897 -178.845 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 562' ' ' GLU . . . . . 0.458 ' HB3' ' HB2' ' A' ' 549' ' ' ASN . 31.3 tt0 -98.94 132.86 43.94 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.345 0.593 . . . . 2.09 110.612 179.031 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 563' ' ' MET . . . . . 0.624 ' SD ' ' HA ' ' A' ' 569' ' ' ALA . 39.0 mtt -118.78 152.85 35.43 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 114.943 -1.026 . . . . 0.39 109.142 -177.418 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 564' ' ' ALA . . . . . . . . . . . . . . . -76.83 -20.06 56.8 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.333 -0.394 . . . . 0.5 111.86 -169.212 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 565' ' ' TYR . . . . . 0.424 ' HB3' ' HG2' ' A' ' 567' ' ' GLU . 91.5 m-85 -141.7 151.86 43.35 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.388 -0.369 . . . . 1.15 110.383 179.917 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 566' ' ' THR . . . . . . . . . . . . . 15.0 t -67.76 -27.63 66.94 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-N 115.686 -0.688 . . . . 0.57 110.454 -178.671 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 567' ' ' GLU . . . . . 0.592 ' HA ' HE21 ' A' ' 570' ' ' GLN . 7.7 pt-20 -58.77 -31.81 68.71 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-N 116.005 -0.543 . . . . 0.89 111.343 176.011 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 568' ' ' ALA . . . . . 0.653 ' O ' ' HG3' ' A' ' 572' ' ' MET . . . -72.97 -42.56 63.23 Favored 'General case' 0 N--CA 1.449 -0.488 0 CA-C-N 116.278 -0.419 . . . . 0.26 110.22 -177.653 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 569' ' ' ALA . . . . . 0.624 ' HA ' ' SD ' ' A' ' 563' ' ' MET . . . -64.09 -45.9 86.63 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.925 -0.579 . . . . 0.24 111.535 -175.908 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 570' ' ' GLN . . . . . 0.592 HE21 ' HA ' ' A' ' 567' ' ' GLU . 25.5 pt20 -69.11 -36.1 77.16 Favored 'General case' 0 C--N 1.328 -0.338 0 C-N-CA 120.697 -0.401 . . . . 1.24 110.707 -178.346 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 571' ' ' ALA . . . . . . . . . . . . . . . -64.39 -44.11 92.36 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.241 -0.436 . . . . 0.31 111.06 -179.777 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 572' ' ' MET . . . . . 0.653 ' HG3' ' O ' ' A' ' 568' ' ' ALA . 28.4 mtt -67.82 -41.49 82.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.439 -0.346 . . . . 0.47 110.506 -179.207 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 573' ' ' VAL . . . . . 0.534 HG23 ' O ' ' A' ' 569' ' ' ALA . 82.0 t -58.54 -45.96 90.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 N-CA-C 110.039 -0.356 . . . . 0.34 110.039 177.817 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 574' ' ' GLN . . . . . . . . . . . . . 15.3 mm-40 -60.98 -40.3 92.92 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.39 -0.368 . . . . 2.09 110.989 178.463 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 575' ' ' TYR . . . . . . . . . . . . . 76.5 t80 -68.0 -53.03 29.02 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 116.057 -0.52 . . . . 0.48 110.928 -177.685 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 576' ' ' TYR . . . . . 0.471 ' CD2' HD12 ' A' ' 590' ' ' ILE . 93.2 m-85 -75.04 -12.61 60.36 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 112.971 0.73 . . . . 0.36 112.971 -174.96 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 577' ' ' GLN . . . . . 0.473 ' HA ' ' OE1' ' A' ' 577' ' ' GLN . 12.4 mm-40 -74.22 -41.42 61.4 Favored 'General case' 0 C--N 1.323 -0.557 0 C-N-CA 120.282 -0.567 . . . . 1.89 110.173 171.261 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 578' ' ' GLU . . . . . . . . . . . . . 48.6 mt-10 -87.39 -37.75 16.78 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.353 -0.385 . . . . 2.14 111.318 179.329 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 579' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -133.21 85.4 44.83 Favored Pre-proline 0 C--N 1.326 -0.424 0 CA-C-O 120.765 0.317 . . . . 2.46 110.269 176.898 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 580' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo -70.12 161.89 44.3 Favored 'Trans proline' 0 C--O 1.236 0.38 0 C-N-CA 123.147 2.564 . . . . 0.37 112.759 -179.793 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 581' ' ' ALA . . . . . . . . . . . . . . . -92.85 137.9 31.96 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.03 -0.532 . . . . 0.27 110.353 -178.924 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 582' ' ' ILE . . . . . . . . . . . . . 65.5 mt -98.94 122.03 50.2 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.682 0 CA-C-O 120.945 0.403 . . . . 0.51 111.116 -177.344 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 583' ' ' ILE . . . . . 0.606 HG13 HD11 ' A' ' 588' ' ' LEU . 28.5 mm -126.89 112.29 28.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 115.979 -0.555 . . . . 0.51 109.908 175.296 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 584' ' ' ASN . . . . . . . . . . . . . 51.4 m-80 53.73 39.71 30.59 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-O 121.482 0.658 . . . . 1.1 111.03 -179.483 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 585' ' ' GLY . . . . . . . . . . . . . . . 84.62 0.12 89.24 Favored Glycine 0 N--CA 1.445 -0.737 0 CA-C-N 114.958 -1.019 . . . . 0.44 113.926 175.149 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 586' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -114.63 127.75 55.94 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 117.263 0.531 . . . . 1.79 111.005 -179.89 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 587' ' ' LYS . . . . . . . . . . . . . 96.3 mttt -73.3 130.13 39.53 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.723 -0.671 . . . . 1.67 111.327 179.548 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 588' ' ' LEU . . . . . 0.66 HD12 HD11 ' A' ' 540' ' ' LEU . 33.5 mt -85.54 141.2 30.04 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.011 -0.541 . . . . 0.24 111.032 179.689 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 589' ' ' LEU . . . . . 0.417 ' HB3' ' SG ' ' A' ' 525' ' ' CYS . 61.1 tp -112.7 112.41 23.91 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.825 -0.625 . . . . 0.38 110.486 178.213 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 590' ' ' ILE . . . . . 0.471 HD12 ' CD2' ' A' ' 576' ' ' TYR . 23.5 mt -99.89 120.21 48.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 N-CA-C 109.899 -0.408 . . . . 0.26 109.899 175.217 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 591' ' ' ARG . . . . . . . . . . . . . 58.1 mtp180 -147.46 165.36 30.51 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.242 -0.436 . . . . 2.62 110.332 -176.643 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 592' ' ' MET . . . . . 0.469 ' SD ' ' HE2' ' A' ' 516' ' ' LYS . 52.0 mtt -83.29 139.44 33.07 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 109.73 -0.47 . . . . 0.34 109.73 179.473 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 593' ' ' SER . . . . . . . . . . . . . 37.7 t -78.46 139.98 38.67 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.365 0.602 . . . . 1.37 110.965 -178.473 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 594' ' ' THR . . . . . . . . . . . . . 21.0 p -90.21 -13.02 36.34 Favored 'General case' 0 C--N 1.316 -0.875 0 CA-C-N 114.934 -1.03 . . . . 0.38 111.493 -178.98 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 595' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -101.73 -27.46 13.03 Favored 'General case' 0 C--O 1.234 0.26 0 N-CA-C 113.055 0.761 . . . . 2.75 113.055 -169.671 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 596' ' ' TYR . . . . . . . . . . . . . 98.3 m-85 -129.04 148.24 50.98 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 112.411 0.523 . . . . 0.65 112.411 -175.227 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 597' ' ' LYS . . . . . . . . . . . . . 9.2 mptt -108.81 -8.72 15.28 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.326 -0.852 . . . . 2.18 111.574 176.456 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 598' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -142.85 150.47 39.94 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.135 0.493 . . . . 0.95 111.258 -177.752 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 599' ' ' LEU . . . . . 0.652 HD21 HG13 ' A' ' 521' ' ' VAL . 81.6 mt -115.34 123.65 49.26 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.288 -0.869 . . . . 0.45 110.683 176.584 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 600' ' ' GLN . . . . . . . . . . . . . 22.6 tt0 -113.87 121.98 45.64 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.305 -0.407 . . . . 1.52 110.459 179.468 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 601' ' ' LEU . . . . . 0.45 ' HG ' ' ND2' ' A' ' 549' ' ' ASN . 80.5 mt -72.46 100.64 2.75 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.864 0.364 . . . . 0.46 111.188 178.954 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 602' ' ' LYS . . . . . . . . . . . . . 94.3 mttt -83.01 -14.91 53.08 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.489 0.661 . . . . 1.73 109.474 171.352 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 603' ' ' LYS . . . . . . . . . . . . . 34.9 mmtp -123.15 135.18 25.66 Favored Pre-proline 0 C--N 1.322 -0.615 0 CA-C-N 115.146 -0.933 . . . . 1.69 108.793 175.446 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 604' ' ' PRO . . . . . . . . . . . . . 21.6 Cg_endo -61.42 158.5 35.76 Favored 'Trans proline' 0 C--O 1.236 0.396 0 C-N-CA 122.564 2.176 . . . . 1.21 112.537 -177.724 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 605' ' ' GLY . . . . . . . . . . . . . . . -122.75 143.2 15.17 Favored Glycine 0 N--CA 1.438 -1.179 0 C-N-CA 120.91 -0.662 . . . . 1.23 111.532 -176.939 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 606' ' ' LYS . . . . . . . . . . . . . 33.7 mmtp -81.19 165.59 21.38 Favored 'General case' 0 C--N 1.314 -0.947 0 N-CA-C 108.947 -0.76 . . . . 3.47 108.947 178.292 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 607' ' ' ASN . . . . . . . . . . . . . 28.0 t-20 -57.98 120.22 8.15 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.258 0.552 . . . . 1.33 110.752 175.623 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 608' ' ' VAL . . . . . 0.589 HG11 ' HB ' ' A' ' 547' ' ' VAL . 72.5 t -86.45 -20.35 7.86 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-N 115.498 -0.773 . . . . 0.3 111.002 -176.204 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 609' ' ' ALA . . . . . . . . . . . . . . . -61.35 -32.56 72.46 Favored 'General case' 0 C--O 1.238 0.491 0 CA-C-O 121.333 0.587 . . . . 0.44 111.097 177.396 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 610' ' ' ALA . . . . . . . . . . . . . . . -64.96 -27.59 68.94 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.968 -0.56 . . . . 0.4 110.204 177.217 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 611' ' ' ILE . . . . . 0.439 ' O ' HG13 ' A' ' 615' ' ' ILE . 76.0 mt -71.54 -30.47 39.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-N 115.798 -0.637 . . . . 0.25 110.107 178.401 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 612' ' ' ILE . . . . . 0.508 ' CG1' HD13 ' A' ' 542' ' ' LEU . 61.4 mt -60.47 -43.71 94.81 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.247 0 N-CA-C 109.55 -0.537 . . . . 0.31 109.55 171.993 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 613' ' ' GLN . . . . . . . . . . . . . 25.7 mt-30 -62.62 -33.9 75.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.559 -0.746 . . . . 2.31 110.158 177.465 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 614' ' ' ASP . . . . . . . . . . . . . 23.4 t70 -65.97 -44.8 83.88 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.234 -0.894 . . . . 1.95 110.607 179.374 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 615' ' ' ILE . . . . . 0.535 HD11 ' HA ' ' A' ' 539' ' ' ASN . 83.9 mt -62.1 -47.41 93.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 115.881 -0.6 . . . . 0.35 110.768 -179.989 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 616' ' ' HIS . . . . . . . . . . . . . 20.0 m-70 -63.47 -31.42 72.57 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.008 -0.542 . . . . 1.26 111.214 -179.452 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 617' ' ' SER . . . . . . . . . . . . . 64.2 m -75.11 -26.23 59.09 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.659 -0.246 . . . . 1.18 110.658 176.038 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 618' ' ' GLN . . . . . 0.444 ' C ' ' HD2' ' A' ' 619' ' ' ARG . 85.6 mm-40 68.92 -68.77 0.17 Allowed 'General case' 0 N--CA 1.467 0.416 0 C-N-CA 123.61 0.764 . . . . 4.68 110.465 -175.427 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 619' ' ' ARG . . . . . 0.444 ' HD2' ' C ' ' A' ' 618' ' ' GLN . 7.4 mpt_? -123.98 145.64 49.04 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 109.176 -0.676 . . . . 7.77 109.176 175.029 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 620' ' ' GLU . . . . . . . . . . . . . 29.9 tt0 62.21 78.29 0.3 Allowed 'General case' 0 C--N 1.327 -0.397 0 O-C-N 123.757 0.661 . . . . 7.92 110.759 179.365 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 621' ' ' ARG . . . . . 0.407 ' OXT' ' HG3' ' A' ' 621' ' ' ARG . 10.2 ptp180 . . . . . 0 C--O 1.249 1.028 0 CA-C-O 118.504 -0.76 . . . . 11.0 110.419 178.023 . . . . . . . . 1 1 . 1 stop_ save_